data_1m8b_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 1m8b _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 10' ' ' GLU . 63.5 t0 -63.08 128.94 38.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.3 m -155.07 25.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.284 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 p -102.28 39.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -153.67 22.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.671 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -102.95 166.16 12.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.671 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 146.88 87.87 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.021 0.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -100.4 148.97 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.13 54.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -179.82 177.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.76 -175.44 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -115.05 146.66 41.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -23.47 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 160.32 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.13 120.98 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 4.3 mmp_? -143.31 99.97 5.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 132.65 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.68 166.6 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.7 t -135.96 111.74 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.24 172.42 47.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -68.85 -21.76 64.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.485 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -93.03 18.2 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 65.0 27.54 12.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 105.44 17.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.0 m -83.98 127.58 33.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.463 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.422 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 95.3 m-85 -118.11 164.29 15.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.96 -36.48 6.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -145.44 160.09 42.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 0.754 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -13.6 41.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 17.4 p -69.86 -50.55 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -66.24 -42.72 88.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE1' HG23 ' A' ' 41' ' ' VAL . 3.1 t80 -61.61 -45.73 92.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.597 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 14.1 m -56.52 -48.96 76.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.62 -32.18 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . . . -72.45 -37.98 68.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' CE1' ' A' ' 37' ' ' PHE . 14.6 t -63.27 -59.65 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -55.28 -39.38 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.22 -31.21 72.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.2 OUTLIER -93.42 35.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.3 t30 57.0 17.7 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 70.29 30.95 68.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 44' ' ' SER . 63.0 p -98.42 -24.62 15.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.485 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 4.0 tp -64.23 134.15 54.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -120.34 152.12 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.74 118.53 23.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -45.68 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -169.84 179.15 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -98.0 173.2 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 59.98 155.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.49 143.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 30.5 t0 -69.16 125.28 26.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.3 m -151.48 26.5 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -100.03 42.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 27.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.668 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -108.86 164.07 15.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.668 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 148.41 91.55 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.971 0.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -123.09 148.5 45.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.62 -58.05 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.32 149.83 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -142.28 168.83 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -89.42 148.27 23.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 mt -91.96 -26.42 18.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.81 164.45 21.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.25 115.55 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -134.79 99.57 12.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -75.02 131.38 14.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 111.045 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -123.08 165.63 16.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -136.16 117.28 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.97 177.21 53.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -74.48 -30.62 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.69 17.43 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 71.03 39.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -93.69 102.86 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 m -88.07 126.65 35.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 29' ' ' LYS . 92.7 m-85 -121.34 163.39 18.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -91.48 -37.61 6.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 76.5 m-20 -140.31 160.34 40.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -16.25 56.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 17.1 p -70.14 -51.05 34.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.25 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.9 OUTLIER -62.41 -41.88 99.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CE1' HG23 ' A' ' 41' ' ' VAL . 3.5 t80 -63.67 -46.32 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.527 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 18.5 m -58.96 -49.69 76.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.242 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -33.02 65.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.12 63.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.588 HG23 ' CE1' ' A' ' 37' ' ' PHE . 72.1 t -66.53 -59.27 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -55.34 -39.3 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.87 -28.11 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.22 16.84 9.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 72.07 6.42 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.71 20.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.1 p -99.11 -27.49 13.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.99 129.95 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -120.18 153.48 36.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.5 HD13 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -84.66 121.95 28.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.379 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -41.82 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -171.09 -179.38 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.86 164.71 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.85 146.91 1.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.8 130.09 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 10' ' ' GLU . 51.1 t0 -66.79 125.36 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -155.26 25.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.97 27.02 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' OE1' ' OD1' ' A' ' 7' ' ' ASP . 2.8 pm0 -143.86 15.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.636 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -92.95 159.38 35.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 143.94 79.37 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.035 0.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -89.03 148.48 23.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -51.9 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.16 -176.06 2.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.72 176.77 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 p -85.77 167.93 14.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -106.1 -26.39 11.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.9 pm0 -58.53 152.32 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.2 127.17 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -147.98 111.24 3.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.0 133.48 16.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' HD12 ' A' ' 50' ' ' LEU . 9.8 mp -122.24 166.1 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.5 t -136.0 116.64 13.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.424 1.077 . . . . 0.0 108.311 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 172.17 54.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -68.67 -25.43 64.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.78 18.0 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 65.54 28.02 11.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.61 1.194 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -88.54 105.73 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -84.38 135.73 34.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.66 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 86.3 m-85 -124.82 166.63 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.93 -30.66 10.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 6.2 t-20 -153.0 158.73 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -17.48 59.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.431 ' CA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -69.94 -46.07 66.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.86 -35.41 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.66 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 1.9 t80 -70.17 -40.12 74.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 62.2 m -61.21 -49.08 78.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.1 -32.99 64.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -74.73 -31.23 61.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.44 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 55.8 t -68.94 -57.81 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.27 -38.05 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -29.61 68.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.28 15.84 8.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 71.14 7.82 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 84.15 30.58 27.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.8 p -96.11 -33.32 12.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.363 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.432 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 4.5 tp -64.32 131.53 47.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -119.86 154.51 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' ' 23' ' ' LEU . 5.9 tp -83.31 122.38 28.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -39.48 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.616 1.197 . . . . 0.0 109.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -175.23 179.7 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.536 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -101.05 169.74 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 68.3 153.97 0.55 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 141.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.519 HG21 ' CE2' ' A' ' 37' ' ' PHE . 27.0 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.03 134.22 51.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.1 m -121.71 14.43 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 108.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 m -78.22 52.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.668 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -113.18 161.28 27.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.668 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.92 147.89 90.41 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.035 -0.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 146.04 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -88.29 48.21 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 175.77 174.04 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.8 t -141.21 169.98 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.331 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -94.29 146.13 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.32 -24.47 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.66 156.26 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.238 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.93 106.32 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLY . 3.0 mmp_? -138.63 97.17 9.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.462 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.05 98.21 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -100.61 154.72 18.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -113.17 127.09 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.56 179.68 52.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -72.59 -22.39 60.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -90.01 16.65 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t30 59.77 41.74 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -110.65 119.34 38.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.6 m -88.15 120.51 29.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 73.0 m-85 -112.75 133.11 54.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -50.5 -44.21 45.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -144.74 -179.09 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 0.709 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.441 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 p -71.34 -51.23 25.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 108.331 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.44 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -66.02 -40.89 91.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 23' ' ' LEU . 22.5 t80 -63.41 -48.29 78.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 m -60.68 -39.49 88.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -56.1 -37.95 70.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.465 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . . . -81.4 -28.55 34.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.424 HG22 ' CD2' ' A' ' 37' ' ' PHE . 95.6 t -69.04 -60.34 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.238 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.34 -27.21 32.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -39.78 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.4 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.1 OUTLIER -85.67 46.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.95 20.47 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.16 30.46 77.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.414 1.071 . . . . 0.0 111.019 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 44' ' ' SER . 69.7 p -95.16 -29.61 14.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.03 135.75 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 p -120.07 151.81 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 52' ' ' HIS . 2.2 tm? -73.63 123.69 24.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -48.08 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.411 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.8 p80 -176.83 176.38 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.554 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -98.79 159.87 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.79 151.29 11.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 143.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.353 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 35.9 t0 -80.6 114.36 19.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.1 m -149.51 35.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -104.14 46.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.4 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.637 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -111.88 158.69 36.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.637 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.93 148.83 92.72 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.019 -0.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.6 145.5 41.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.02 64.05 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 179.66 160.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 15' ' ' ALA . 15.7 m -164.33 177.11 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 p -114.37 165.16 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.8 -28.0 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -49.51 149.16 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.72 124.07 51.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.434 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 2.1 mpt_? -143.74 95.69 5.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 139.96 24.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -145.62 173.37 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.3 t -131.53 135.94 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.89 176.84 42.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 t -70.44 -27.03 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.507 ' OD1' ' CD2' ' A' ' 48' ' ' LEU . 8.7 p-10 -87.74 12.52 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 68.1 41.42 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 110.66 22.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.9 m -85.87 121.17 28.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.376 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 93.4 m-85 -112.98 164.38 13.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.24 -34.09 8.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 3.3 m-20 -147.06 164.92 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -17.71 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.439 ' CA ' ' OH ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -68.59 -50.02 54.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.292 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.56 -44.37 94.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG2' ' A' ' 41' ' ' VAL . 5.9 t80 -62.28 -42.14 99.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 22.2 m -58.38 -49.42 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.28 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.401 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 2.1 t-20 -58.48 -29.27 66.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . . . -77.26 -32.42 55.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.633 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 51.8 t -68.53 -55.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -55.13 -40.74 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -41.08 80.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 110.239 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -88.86 41.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.353 1.033 . . . . 0.0 110.033 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 48.71 24.18 0.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 67.01 30.59 76.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 t -97.35 -12.39 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.399 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.507 ' CD2' ' OD1' ' A' ' 27' ' ' ASP . 2.9 tm? -82.22 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -114.01 160.54 18.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.62 120.82 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.89 -52.05 11.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -167.41 174.52 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.636 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.81 159.58 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 77.0 153.74 5.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -41.34 139.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.277 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -78.52 114.89 17.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -125.08 3.27 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -78.74 60.91 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.66 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.629 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -37.39 155.62 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 147.37 89.11 Favored 'Cis proline' 0 C--N 1.359 1.108 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.967 -0.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -98.03 148.2 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -96.22 46.59 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 174.95 165.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.4 m -155.03 -179.47 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.267 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 p -98.58 149.18 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -82.04 -24.48 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 21' ' ' ARG . 2.2 pm0 -68.52 160.0 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -110.98 120.53 42.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -133.95 104.13 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -74.97 135.49 19.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -131.58 168.66 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.79 119.03 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 108.23 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 173.08 54.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -69.66 -24.72 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.457 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 15.8 p-10 -90.36 16.13 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t30 64.58 36.66 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.84 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.9 m -84.81 117.57 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 83.1 m-85 -108.78 165.14 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.59 -26.13 23.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.58 1.175 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -155.92 167.11 31.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 0.809 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -16.74 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.416 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -70.62 -54.08 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -60.15 -47.92 83.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 41' ' ' VAL . 7.7 t80 -58.26 -55.26 37.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.6 m -57.0 -36.87 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -38.74 72.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.79 -31.78 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 37' ' ' PHE . 69.7 t -69.82 -58.49 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.502 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.53 -34.74 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.3 -31.87 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 39.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.547 1.154 . . . . 0.0 110.064 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 t30 59.71 15.76 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 65.56 29.1 74.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -88.17 -34.15 17.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 0.745 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 37.9 tp -61.82 137.33 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -119.24 153.69 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 53' ' ' PHE . 7.6 tp -80.19 118.92 22.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -42.82 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -175.96 177.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD1' HD22 ' A' ' 50' ' ' LEU . 7.3 m-85 -98.62 160.63 14.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.97 143.67 5.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.92 129.82 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.227 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.226 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.09 117.24 23.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 35.1 m -120.03 -1.95 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -72.15 60.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -164.88 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.62 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -38.22 159.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 0.0 110.99 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -74.99 145.82 84.97 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.0 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -82.87 148.91 27.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LYS . 2.4 t0 -38.54 -60.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.64 -177.4 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.8 t -108.77 165.89 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -99.54 167.12 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mp -88.6 -24.39 22.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.83 129.76 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.4 119.85 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.7 mmt180 -143.06 107.77 5.33 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.0 Cg_endo -75.12 138.09 22.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD23 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -132.72 168.57 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.1 t -136.17 111.7 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.58 177.78 43.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -74.06 -23.19 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 0.806 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.46 18.17 6.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 63.07 30.71 16.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 108.34 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.3 m -84.43 125.53 32.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.397 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 94.9 m-85 -112.11 163.76 13.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.5 -34.79 7.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -148.15 165.17 31.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -16.97 63.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 15.7 p -70.73 -50.77 32.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.436 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 22.5 m-80 -64.52 -41.06 96.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CD1' HG23 ' A' ' 41' ' ' VAL . 7.1 t80 -64.12 -46.64 83.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 1.6 m -64.63 -40.32 95.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 108.251 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -56.1 -36.55 68.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' O ' ' OG ' ' A' ' 44' ' ' SER . . . -81.22 -26.32 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.599 HG23 ' CD1' ' A' ' 37' ' ' PHE . 75.7 t -70.17 -58.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.503 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -58.92 -33.46 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.81 -29.03 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 40' ' ' ALA . 21.0 p -91.35 28.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.82 14.49 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 76.13 30.36 57.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.2 p -93.53 -28.67 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 0.724 . . . . 0.0 110.361 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 1.4 tm? -62.94 119.32 9.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -105.13 151.2 24.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 tt -86.74 118.78 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.14 -43.55 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -176.38 173.56 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.632 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' CD1' HD23 ' A' ' 23' ' ' LEU . 24.1 m-85 -96.13 159.41 14.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 80.34 145.3 3.93 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -39.94 137.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.734 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.286 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 7' ' ' ASP . 79.2 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.421 ' N ' HG11 ' A' ' 6' ' ' VAL . 50.1 t0 -66.22 119.26 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 18.9 m -155.94 35.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 p -101.66 41.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' OE2' ' OD1' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -161.0 27.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -105.95 159.95 27.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.652 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.12 149.58 93.87 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -118.79 148.07 43.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.73 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 164.74 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -170.31 176.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.5 p -98.22 164.1 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -25.59 13.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 132.87 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.13 124.44 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mmt180 -142.46 96.83 6.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.437 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.03 131.07 13.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.518 1.799 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.84 166.4 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -121.22 140.36 52.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 108.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.28 -179.61 41.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -74.7 -24.61 58.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.79 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -89.46 15.19 9.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 64.71 40.26 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -108.5 108.55 19.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.1 m -84.6 125.82 32.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 96.5 m-85 -115.93 166.2 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -89.95 -37.81 6.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -141.51 160.09 40.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -17.44 63.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.429 ' CA ' ' OH ' ' A' ' 11' ' ' TYR . 10.1 m -70.11 -51.84 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.67 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 1.7 t80 -69.81 -41.21 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 40.2 m -62.75 -50.04 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 108.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -56.27 -28.79 59.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -79.74 -35.98 37.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.456 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 59.5 t -63.29 -55.68 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -54.58 -39.45 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.71 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.96 37.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.87 16.62 4.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.456 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 70.39 30.55 69.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -93.47 -34.81 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 0.814 . . . . 0.0 110.363 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.44 129.72 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.0 p -120.05 151.59 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -73.1 121.39 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.422 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -78.15 -48.92 14.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.413 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 28.5 p80 -174.38 166.66 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.675 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -82.26 167.7 18.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.611 1.195 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 66.05 155.73 0.33 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.06 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 152.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 t0 -76.81 124.29 27.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 19.5 m -155.64 26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.21 33.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.78 19.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.669 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -96.26 160.46 29.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 150.04 94.75 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.01 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -99.65 148.65 24.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -85.39 51.45 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 175.95 159.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -132.01 172.63 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -96.36 146.44 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.21 -13.89 27.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.22 154.68 40.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.84 103.44 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' GLY . 5.0 mmp_? -132.46 95.78 20.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.01 130.94 13.73 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -138.82 161.69 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -117.85 138.41 52.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 108.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.27 -178.87 42.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 t -72.8 -31.75 65.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.503 ' OD1' ' CD2' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -87.95 14.26 9.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 69.3 43.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 1.4 mttt -102.34 108.43 19.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -84.17 114.66 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.46 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 57.0 m-85 -105.48 163.85 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -87.74 -32.06 13.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -155.33 178.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -70.67 -16.87 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 13.1 p -70.68 -51.07 30.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.465 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -65.0 -41.79 95.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' HD13 ' A' ' 23' ' ' LEU . 7.7 t80 -61.98 -49.74 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 26.0 m -56.26 -49.06 75.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.254 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.66 -32.03 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 31' ' ' TYR . . . -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.56 -58.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -55.45 -38.39 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.76 -30.54 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -87.75 14.09 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 74.45 4.53 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.15 29.64 12.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.478 1.111 . . . . 0.0 111.084 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 p -101.59 -28.4 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.324 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.503 ' CD2' ' OD1' ' A' ' 27' ' ' ASP . 1.5 tm? -69.87 125.37 26.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.423 ' N ' HD13 ' A' ' 48' ' ' LEU . 70.4 p -117.68 158.03 25.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.16 . . . . 0.0 110.463 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.413 HD21 ' N ' ' A' ' 52' ' ' HIS . 9.8 tt -81.78 119.75 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -44.88 19.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.413 ' N ' HD21 ' A' ' 50' ' ' LEU . 30.9 p80 -173.03 177.23 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.624 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -99.03 162.1 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 80.14 145.39 3.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 141.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.582 HG13 ' CE1' ' A' ' 37' ' ' PHE . 10.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -108.94 126.04 52.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.1 m -135.82 12.87 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -79.21 65.96 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.93 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.678 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -38.48 159.08 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.972 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.678 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.93 146.81 87.7 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' ALA . 10.1 ptpt -101.67 148.04 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.29 44.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' O ' ' CD ' ' A' ' 13' ' ' LYS . . . -175.07 118.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.3 m -126.49 176.18 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -110.18 163.94 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.54 -23.02 23.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.14 161.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.04 121.5 43.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -143.7 98.91 5.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.1 Cg_endo -75.08 131.46 14.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 50' ' ' LEU . 8.0 mp -122.63 165.92 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 t -135.57 108.55 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 108.254 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.99 173.23 48.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -72.51 -22.53 61.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.741 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -86.26 8.46 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 70.63 35.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.4 mttt -99.91 111.11 23.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.9 m -87.01 115.96 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 83.5 m-85 -104.59 164.93 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.25 -33.53 8.71 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 23.2 m-20 -145.58 166.79 24.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -65.56 -18.19 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.63 -48.12 56.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.264 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -62.95 -45.96 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CE1' HG21 ' A' ' 41' ' ' VAL . 31.7 t80 -61.16 -50.76 71.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.7 m -59.86 -40.05 87.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.38 -34.65 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.34 -30.94 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.606 HG21 ' CE1' ' A' ' 37' ' ' PHE . 6.3 t -69.27 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -55.95 -26.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.82 -39.15 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.15 41.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 61.36 15.24 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 69.71 30.56 70.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.4 p -90.48 -34.05 15.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 0.804 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 49' ' ' THR . 2.2 tm? -54.87 133.09 47.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.425 ' N ' HD13 ' A' ' 48' ' ' LEU . 56.0 p -112.73 154.68 25.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 23' ' ' LEU . 9.1 tt -84.34 120.16 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -45.92 52.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -174.88 172.11 2.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.587 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -95.61 158.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.68 147.07 6.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.02 130.54 4.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 0.734 . . . . 0.0 109.229 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -64.4 124.97 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.7 m -155.23 33.01 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 108.332 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.44 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -107.49 43.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.94 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' OE1' ' N ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -161.96 27.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.648 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.31 163.99 15.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.953 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.648 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 140.08 65.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.944 -2.524 . . . . 0.0 111.079 -0.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -90.42 148.6 22.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.21 44.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.32 -178.71 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -145.73 -174.48 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 p -114.06 148.73 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.478 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -91.06 -26.47 19.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -64.23 153.75 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CE1' ' HD3' ' A' ' 22' ' ' PRO . 1.0 OUTLIER -112.29 116.77 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.54 99.89 4.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.478 ' HD3' ' CE1' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.09 121.17 6.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -125.79 163.41 22.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -122.45 129.12 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -178.7 48.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -78.0 -21.87 50.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -84.98 8.02 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t30 68.03 42.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.88 114.89 26.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.5 m -87.32 108.45 18.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.511 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 95.6 m-85 -95.34 162.86 13.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.58 -39.28 5.96 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -139.66 161.62 37.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -66.14 -14.36 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 14.8 p -70.21 -51.06 33.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -65.18 -42.15 93.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 41' ' ' VAL . 3.3 t80 -62.52 -46.38 88.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 111.029 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 17.1 m -56.81 -49.33 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -28.6 65.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -77.05 -30.93 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 37' ' ' PHE . 24.3 t -68.95 -59.46 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.76 -36.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.89 -32.38 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 41.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.94 18.38 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 65.68 30.73 77.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 t -98.23 -27.16 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.418 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 49' ' ' THR . 6.9 tt -58.11 126.94 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.423 ' N ' HD23 ' A' ' 48' ' ' LEU . 68.8 p -116.19 151.66 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.567 HD22 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -75.59 123.47 25.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.415 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.04 -49.68 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.471 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 23.9 p80 -172.15 174.01 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.556 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -96.52 164.01 12.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.52 152.31 3.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 136.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -87.82 111.45 21.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -120.71 1.94 10.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 108.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.6 m -70.97 59.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -165.58 -40.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.655 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -38.18 158.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.655 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 139.35 61.26 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -96.86 141.71 29.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -102.35 50.06 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.35 134.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -135.07 175.41 9.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -99.71 169.11 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.72 -27.4 14.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -60.3 157.42 13.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.229 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 0.9 OUTLIER -109.7 117.67 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 20' ' ' TYR . 2.4 mmp_? -129.71 95.78 28.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.219 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.08 137.81 22.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 pp -153.44 149.82 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.2 t -101.2 145.7 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 108.272 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.69 -179.4 33.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -76.38 -17.81 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 0.772 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 21.7 p-10 -94.06 2.8 55.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 9.4 t-20 78.07 37.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 tttm -108.89 112.82 25.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.8 m -88.24 109.03 19.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE1' ' HD3' ' A' ' 29' ' ' LYS . 94.3 m-85 -96.82 164.89 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.63 -32.55 9.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -144.39 169.33 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 1.8 m -71.26 -50.25 34.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.67 -45.85 90.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.529 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 7.4 t80 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 14.9 m -56.11 -35.74 67.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 108.349 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.426 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 1.1 m-80 -56.78 -39.75 74.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.67 -28.68 33.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 48' ' ' LEU . 57.8 t -69.49 -60.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.498 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.01 -32.93 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.42 -29.95 68.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.491 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.3 OUTLIER -95.35 29.62 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.024 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 t30 66.01 12.66 8.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 79.75 29.98 45.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 44' ' ' SER . 48.9 p -84.17 -38.61 20.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 41' ' ' VAL . 2.7 tm? -70.36 120.09 15.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.7 p -110.23 150.73 28.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.95 124.95 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -51.08 8.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -171.01 169.0 6.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.541 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -90.97 155.92 18.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.95 148.6 7.78 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -40.92 138.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 59.9 t0 -103.82 115.08 29.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -129.39 8.0 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 55.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.416 ' OE1' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -177.68 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.634 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -40.82 154.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.634 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.07 141.13 70.77 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.994 0.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HD3' ' CD1' ' A' ' 11' ' ' TYR . 1.1 mtpp -82.55 132.59 35.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.45 -53.73 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.58 169.82 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 m -143.7 165.06 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.9 p -87.97 165.83 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -101.13 -24.63 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 136.07 3.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.59 120.04 32.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.8 mmt180 -143.53 101.22 5.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.08 135.1 18.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -132.42 166.57 21.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.98 108.48 7.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.55 166.63 54.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -68.63 -14.04 62.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -90.21 19.22 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.39 43.92 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -118.77 114.24 22.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -86.02 121.52 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 96.8 m-85 -105.12 162.93 12.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.35 -36.82 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -142.81 164.36 30.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.797 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -63.32 -17.55 62.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.439 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -70.87 -53.97 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 108.257 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.32 -37.94 79.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 6' ' ' VAL . 22.7 t80 -65.75 -54.55 25.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -58.05 -36.66 73.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.311 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -39.12 72.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -30.66 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.547 HG22 ' CD1' ' A' ' 37' ' ' PHE . 51.4 t -70.08 -59.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.14 -35.62 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.415 1.072 . . . . 0.0 109.248 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.86 -38.61 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.5 OUTLIER -87.95 44.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 55.21 19.42 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.38 30.46 77.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.053 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 44' ' ' SER . 74.1 p -89.93 -35.47 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.26 136.62 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.0 p -120.41 153.36 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD22 ' CE1' ' A' ' 53' ' ' PHE . 26.0 tp -82.49 118.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -37.43 67.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.052 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -176.21 173.0 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.51 ' CE1' HD22 ' A' ' 50' ' ' LEU . 3.9 m-85 -100.36 159.98 14.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 78.93 150.95 5.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -39.9 137.07 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.74 . . . . 0.0 109.345 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 7' ' ' ASP . 59.1 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.418 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 26.2 t0 -85.12 119.47 25.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.3 m -131.97 13.23 4.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 108.269 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -90.87 33.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 0.0 109.944 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.19 14.31 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -101.37 165.44 14.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 148.99 93.04 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.024 0.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -104.05 148.45 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.41 73.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.89 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t 57.56 -176.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.284 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.4 p -115.24 147.29 40.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -13.16 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -72.56 153.92 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.67 107.19 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 32' ' ' GLY . 4.4 ptp180 -142.71 99.0 5.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.5 Cg_endo -74.98 118.37 5.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 145.47 47.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.0 t -103.43 129.5 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.14 -179.83 49.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -71.51 -25.33 62.2 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.539 0.787 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 17.1 p-10 -89.43 15.06 9.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.9 t30 62.78 41.89 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -109.23 121.76 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.3 m -90.36 124.86 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 78.8 m-85 -117.01 129.51 56.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -49.12 -44.0 32.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -143.32 170.29 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -13.13 41.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 9.6 p -71.81 -51.43 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -64.3 -40.81 96.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 14.3 t80 -63.82 -51.66 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 1.6 m -58.33 -41.53 84.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -55.7 -35.04 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -31.52 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.489 HG22 ' CE2' ' A' ' 37' ' ' PHE . 38.6 t -69.62 -59.93 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.61 -31.93 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.07 -42.68 89.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.95 46.84 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.72 24.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.09 29.62 75.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 48' ' ' LEU . 14.6 t -84.49 -25.96 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.779 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.483 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 3.7 tp -70.92 137.47 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -117.95 160.69 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 tp -87.88 121.11 29.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.05 -45.79 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -178.02 170.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.083 . . . . 0.0 109.61 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -90.92 164.57 13.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 74.94 147.44 1.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.568 1.168 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.86 142.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 0.725 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -98.47 132.99 43.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 42' ' ' VAL . 48.7 t -147.17 20.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 t -91.65 22.42 4.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE2' ' CD ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -138.21 13.75 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.732 ' CD1' ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -97.59 158.09 33.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.672 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 142.59 75.22 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.976 0.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' CD ' ' OE2' ' A' ' 10' ' ' GLU . 1.7 mtpp -82.87 148.45 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.236 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -45.84 73.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 138.18 53.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.44 179.9 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 p -88.82 160.01 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.59 -22.12 11.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -62.38 157.77 19.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.27 109.31 20.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.8 mmt180 -144.44 96.83 5.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.5 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.95 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CB ' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -112.0 166.29 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.3 t -123.47 112.09 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.369 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 172.92 46.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -70.98 -22.46 62.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.422 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 14.8 p-10 -92.7 17.62 10.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 61.7 39.38 14.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -104.78 117.34 33.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.8 m -84.08 116.59 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CG ' ' HA ' ' A' ' 37' ' ' PHE . 60.2 m-85 -109.85 130.62 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -53.76 -35.93 53.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.89 173.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -14.91 55.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.8 t -71.08 -54.99 9.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -40.91 98.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.537 ' CE1' HG23 ' A' ' 41' ' ' VAL . 3.7 t80 -61.92 -59.33 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.732 ' SG ' ' CD1' ' A' ' 11' ' ' TYR . 43.8 t -56.16 -38.07 70.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.586 1.179 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -55.7 -37.84 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.65 -31.09 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.537 HG23 ' CE1' ' A' ' 37' ' ' PHE . 87.0 t -70.23 -59.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.03 -35.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.96 -24.73 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -99.88 41.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.16 17.34 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 65.9 30.47 77.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.9 t -88.31 -35.15 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.456 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' CD1' ' CG ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -61.9 128.72 37.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 p -112.93 154.08 26.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.511 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -80.08 120.32 24.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 -51.12 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.431 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 15.7 p80 -174.43 167.66 3.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -85.43 161.58 19.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.95 140.45 4.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -48.21 131.87 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -63.69 124.66 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.8 m -154.79 24.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 108.357 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.4 p -103.12 15.32 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -119.03 -30.72 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -43.36 166.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.652 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 131.28 23.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -82.54 148.85 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -116.83 71.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.11 -87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.6 m 66.85 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -109.92 169.2 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 -19.65 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.3 139.29 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.22 124.05 50.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 1.3 mmt180 -145.72 97.94 4.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.05 127.18 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 50' ' ' LEU . 1.1 pp -138.79 179.28 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.5 t -135.84 138.3 42.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 108.327 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.64 175.73 37.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -71.82 -16.23 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 0.714 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.62 11.12 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.1 t30 63.04 41.49 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 120.06 35.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.2 m -86.21 132.35 34.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.489 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 82.1 m-85 -115.7 164.16 14.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -84.51 -37.76 10.43 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -146.65 164.53 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.628 0.84 . . . . 0.0 109.33 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -64.7 -17.9 64.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -70.15 -54.1 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -57.84 -45.21 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.489 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . 20.2 t80 -62.36 -46.46 88.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 43.1 m -56.67 -48.47 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -30.67 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -77.25 -28.95 53.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.439 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 25.8 t -68.84 -56.96 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -54.25 -34.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 -23.35 49.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.419 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.4 OUTLIER -94.49 33.82 1.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.67 14.51 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 65.64 30.9 78.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -104.9 -13.28 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 110.405 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 37' ' ' PHE . 4.2 tp -72.9 127.71 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 p -113.37 154.74 26.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' CD1' HD12 ' A' ' 23' ' ' LEU . 14.4 tp -76.76 120.96 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -46.89 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -175.67 -176.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -103.8 162.04 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 73.72 155.99 3.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.93 140.4 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 7' ' ' ASP . 74.1 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' OE2' ' A' ' 10' ' ' GLU . 59.6 t0 -89.17 120.37 30.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 55.7 m -155.54 47.92 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 108.332 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 m -120.62 46.43 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.414 ' OE2' ' OD1' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -166.71 30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.672 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.45 163.32 17.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.672 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 145.08 82.95 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.014 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 9.9 mttp -86.21 148.73 25.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.08 -40.07 96.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.84 172.96 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 17' ' ' THR . 9.4 t -132.57 162.87 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 108.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.437 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 40.2 p -84.07 150.53 25.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.487 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' CD2' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -102.42 -7.2 22.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' N ' HD13 ' A' ' 18' ' ' LEU . 12.7 mp0 -66.08 145.99 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.85 99.14 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -131.85 95.63 22.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.05 122.08 6.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -131.64 155.21 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.7 t -113.64 133.45 55.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.17 -178.7 44.4 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -75.96 -24.26 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -85.8 9.18 17.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.7 t30 68.13 43.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -112.38 114.17 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 m -89.3 108.64 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 67.5 m-85 -96.88 161.1 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -80.55 -34.82 27.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -150.53 166.46 30.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -13.25 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -69.39 -52.02 31.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 108.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.513 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -66.19 -42.81 88.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' A' ' 23' ' ' LEU . 7.1 t80 -61.2 -44.47 97.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 6.4 m -56.85 -49.72 74.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.066 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.86 -32.37 65.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.07 -34.98 64.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.22 -59.06 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.4 -34.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -30.01 69.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -83.95 7.49 18.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t-20 80.59 -2.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.15 30.67 7.29 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -105.14 -30.45 9.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 132.82 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -121.16 155.82 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 23' ' ' LEU . 3.4 tp -78.24 124.06 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -51.8 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -170.59 176.57 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -92.23 165.87 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 71.36 148.01 0.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' CYS . 1.1 tmtp? -45.62 139.94 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.217 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -78.41 111.52 14.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.1 10.41 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 108.344 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -90.86 76.71 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.951 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.86 -37.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.64 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER -44.02 169.3 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.64 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 142.25 74.18 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 0.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 3.4 mtmt -102.5 148.83 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.54 68.51 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 171.58 170.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -156.16 175.83 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 108.301 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -107.18 145.54 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.23 -28.03 27.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.07 153.34 42.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.63 123.14 46.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.41 95.94 6.46 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.04 132.15 15.04 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.567 HD11 ' CD2' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -137.12 167.1 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -127.14 127.6 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 108.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.12 175.89 48.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -70.79 -14.68 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 1.2 p30 -90.21 -0.31 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.486 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 78.57 10.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 111.14 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.0 m -84.19 129.87 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.477 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 99.4 m-85 -113.59 165.63 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -90.57 -37.25 6.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 83.0 m-20 -141.74 160.23 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 109.395 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -64.82 -14.37 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.465 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.2 p -70.72 -50.77 32.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.8 OUTLIER -64.69 -42.31 95.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CE1' ' CG2' ' A' ' 41' ' ' VAL . 2.9 t80 -64.06 -44.17 93.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.557 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 6.1 m -56.53 -48.8 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 108.231 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.42 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 2.0 m120 -58.55 -32.17 68.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.477 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -73.47 -34.29 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.577 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 41.0 t -67.93 -58.02 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -55.57 -41.33 63.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.1 -39.85 72.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.57 44.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.16 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.43 30.56 76.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 48' ' ' LEU . 11.4 t -89.63 -25.03 21.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 47' ' ' THR . 7.9 tp -70.84 132.8 45.82 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -118.85 152.23 36.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 23' ' ' LEU . 32.1 tp -74.83 121.88 22.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -54.44 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -166.25 178.4 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -99.58 160.8 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.15 152.42 3.27 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' CYS . 0.7 OUTLIER -40.28 137.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.061 . . . . 0.0 108.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 7' ' ' ASP . 94.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 6' ' ' VAL . 15.3 t0 -88.86 126.6 35.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.6 m -150.8 64.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.256 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.92 43.49 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.95 26.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.644 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -101.58 165.61 13.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.941 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.644 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 144.21 80.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 148.86 23.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -77.54 55.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 14' ' ' ASP . . . 162.97 134.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 t -119.03 170.2 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 108.319 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.7 p -91.92 146.26 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -29.14 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.69 140.74 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.35 124.31 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -147.48 99.14 3.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.432 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.06 132.25 15.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.394 1.734 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.4 162.46 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 t -115.59 145.14 42.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.12 175.68 24.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -74.36 -21.13 59.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.957 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.479 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 16.2 p-10 -89.52 11.63 18.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.21 39.94 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.4 117.94 33.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -92.95 122.37 35.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.492 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 83.5 m-85 -111.5 166.11 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.33 -33.56 8.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -140.14 158.49 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -62.75 -18.46 62.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 18.7 p -71.62 -51.12 24.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.8 m-80 -58.45 -42.5 87.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CE2' HD13 ' A' ' 50' ' ' LEU . 2.1 t80 -67.86 -44.01 78.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.525 ' HB3' ' CG ' ' A' ' 11' ' ' TYR . 4.1 m -56.89 -49.86 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 108.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.78 -30.42 63.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . . . -76.7 -32.1 57.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.528 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 45.9 t -68.51 -56.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.04 -37.88 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -34.81 79.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.14 38.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 59.69 16.05 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 109.244 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 65.52 30.32 77.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 p -95.72 -24.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 110.373 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 7.9 tp -68.72 133.61 48.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.1 p -118.96 150.9 39.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.379 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.567 HD13 ' CE2' ' A' ' 37' ' ' PHE . 5.7 tp -68.49 122.71 19.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -51.97 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -170.2 172.7 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -88.63 156.14 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 80.01 137.28 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLY . 29.6 pttt -40.48 138.65 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LYS . 2.2 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.31 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -62.65 124.97 22.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 m -134.02 11.39 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.6 p -88.31 18.96 4.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -115.84 -31.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.623 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -50.96 169.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.95 148.6 92.15 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.03 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 8.8 mtpp -106.77 148.78 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -14.36 13.26 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.7 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 t 63.75 166.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 46.9 p -113.57 145.99 40.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.78 -30.5 22.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 3.9 mm-40 -49.76 166.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -115.27 118.52 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -137.49 98.79 9.83 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 136.79 21.07 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 HD21 ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -150.16 144.91 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 t -103.85 134.3 47.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -179.34 48.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -74.22 -28.18 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.3 17.6 7.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 67.04 37.28 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -99.75 96.65 7.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -86.4 110.62 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 27.6 m-85 -104.14 165.6 10.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.31 -36.88 6.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.437 1.085 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -128.14 152.94 47.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.99 -21.59 62.29 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.5 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 13.1 p -71.24 -50.77 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.9 m-80 -59.49 -42.89 93.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CE1' HD22 ' A' ' 48' ' ' LEU . 28.8 t80 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.592 1.183 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.1 -36.73 78.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.04 -40.26 76.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -79.65 -31.12 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' A' ' 37' ' ' PHE . 86.4 t -69.11 -59.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.408 HG12 ' CD ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -55.12 -28.66 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CD ' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -80.63 -26.49 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -90.68 36.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.7 t30 57.98 17.36 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.34 29.5 74.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.594 1.184 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 48' ' ' LEU . 9.7 t -83.51 -34.13 25.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 0.759 . . . . 0.0 110.391 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.564 HD22 ' CE1' ' A' ' 37' ' ' PHE . 15.2 tp -69.45 127.88 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.3 p -113.98 155.63 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 52' ' ' HIS . 2.3 tm? -82.97 118.67 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -45.56 23.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.419 ' N ' HD13 ' A' ' 50' ' ' LEU . 26.2 p80 -178.63 170.7 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' CE1' HD21 ' A' ' 23' ' ' LEU . 26.3 m-85 -93.66 160.14 14.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 86.29 142.44 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.6 OUTLIER -39.99 134.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.63 73.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 88.02 2.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.4 p -140.75 175.57 5.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p -176.88 152.72 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.3 m -101.47 156.38 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 10' ' ' GLU . 63.5 t0 -63.08 128.94 38.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.3 m -155.07 25.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.284 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 p -102.28 39.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -153.67 22.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.671 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -102.95 166.16 12.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.671 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 146.88 87.87 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.021 0.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -100.4 148.97 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.13 54.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -179.82 177.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.76 -175.44 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -115.05 146.66 41.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -23.47 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 160.32 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.13 120.98 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 4.3 mmp_? -143.31 99.97 5.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 132.65 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.68 166.6 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.7 t -135.96 111.74 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.24 172.42 47.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -68.85 -21.76 64.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.485 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -93.03 18.2 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 65.0 27.54 12.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 105.44 17.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.0 m -83.98 127.58 33.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.463 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.422 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 95.3 m-85 -118.11 164.29 15.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.96 -36.48 6.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -145.44 160.09 42.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 0.754 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -13.6 41.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 17.4 p -69.86 -50.55 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -66.24 -42.72 88.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE1' HG23 ' A' ' 41' ' ' VAL . 3.1 t80 -61.61 -45.73 92.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.597 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 14.1 m -56.52 -48.96 76.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.62 -32.18 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB3' ' CD2' ' A' ' 48' ' ' LEU . . . -72.45 -37.98 68.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG23 ' CE1' ' A' ' 37' ' ' PHE . 14.6 t -63.27 -59.65 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -55.28 -39.38 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.22 -31.21 72.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.2 OUTLIER -93.42 35.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.3 t30 57.0 17.7 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 70.29 30.95 68.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 44' ' ' SER . 63.0 p -98.42 -24.62 15.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.485 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 4.0 tp -64.23 134.15 54.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -120.34 152.12 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.74 118.53 23.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -45.68 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -169.84 179.15 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -98.0 173.2 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 59.98 155.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.49 143.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.01 15.65 9.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.68 -161.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.74 179.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.17 141.13 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -101.8 157.06 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 30.5 t0 -69.16 125.28 26.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.3 m -151.48 26.5 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -100.03 42.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 27.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.668 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -108.86 164.07 15.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.668 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 148.41 91.55 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.971 0.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -123.09 148.5 45.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.62 -58.05 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.32 149.83 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -142.28 168.83 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -89.42 148.27 23.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 mt -91.96 -26.42 18.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.81 164.45 21.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.25 115.55 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -134.79 99.57 12.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -75.02 131.38 14.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 111.045 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -123.08 165.63 16.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -136.16 117.28 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.97 177.21 53.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -74.48 -30.62 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.69 17.43 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 71.03 39.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -93.69 102.86 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 m -88.07 126.65 35.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 29' ' ' LYS . 92.7 m-85 -121.34 163.39 18.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -91.48 -37.61 6.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 76.5 m-20 -140.31 160.34 40.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -16.25 56.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 17.1 p -70.14 -51.05 34.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.25 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.9 OUTLIER -62.41 -41.88 99.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CE1' HG23 ' A' ' 41' ' ' VAL . 3.5 t80 -63.67 -46.32 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.527 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 18.5 m -58.96 -49.69 76.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.242 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -33.02 65.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.12 63.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.588 HG23 ' CE1' ' A' ' 37' ' ' PHE . 72.1 t -66.53 -59.27 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -55.34 -39.3 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.87 -28.11 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.22 16.84 9.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 72.07 6.42 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.71 20.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.1 p -99.11 -27.49 13.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.99 129.95 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -120.18 153.48 36.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.5 HD13 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -84.66 121.95 28.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.379 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -41.82 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -171.09 -179.38 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.86 164.71 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.85 146.91 1.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.8 130.09 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.68 -178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 66.5 58.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.464 HG23 ' CE1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER 50.9 -180.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -179.98 119.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.956 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -104.86 134.7 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 10' ' ' GLU . 51.1 t0 -66.79 125.36 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -155.26 25.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.97 27.02 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' OE1' ' OD1' ' A' ' 7' ' ' ASP . 2.8 pm0 -143.86 15.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.636 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -92.95 159.38 35.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 143.94 79.37 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.035 0.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -89.03 148.48 23.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -51.9 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.16 -176.06 2.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.72 176.77 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 p -85.77 167.93 14.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -106.1 -26.39 11.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.9 pm0 -58.53 152.32 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.2 127.17 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -147.98 111.24 3.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.0 133.48 16.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' HD12 ' A' ' 50' ' ' LEU . 9.8 mp -122.24 166.1 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.5 t -136.0 116.64 13.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.424 1.077 . . . . 0.0 108.311 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 172.17 54.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -68.67 -25.43 64.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.78 18.0 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 65.54 28.02 11.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.61 1.194 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -88.54 105.73 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -84.38 135.73 34.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.66 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 86.3 m-85 -124.82 166.63 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.93 -30.66 10.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 6.2 t-20 -153.0 158.73 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -17.48 59.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' CA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -69.94 -46.07 66.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.86 -35.41 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.66 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 1.9 t80 -70.17 -40.12 74.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 62.2 m -61.21 -49.08 78.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.1 -32.99 64.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -74.73 -31.23 61.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.44 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 55.8 t -68.94 -57.81 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.27 -38.05 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -29.61 68.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.28 15.84 8.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 71.14 7.82 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 84.15 30.58 27.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.8 p -96.11 -33.32 12.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.363 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.432 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 4.5 tp -64.32 131.53 47.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -119.86 154.51 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' ' 23' ' ' LEU . 5.9 tp -83.31 122.38 28.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -39.48 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.616 1.197 . . . . 0.0 109.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -175.23 179.7 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.536 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.464 ' CE1' HG23 ' A' ' 4' ' ' VAL . 5.7 m-85 -101.05 169.74 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 68.3 153.97 0.55 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 141.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.62 171.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.06 60.43 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.358 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.9 p -151.18 176.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.79 108.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.519 HG21 ' CE2' ' A' ' 37' ' ' PHE . 27.0 m -93.67 100.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.03 134.22 51.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.1 m -121.71 14.43 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 108.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 m -78.22 52.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.668 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -113.18 161.28 27.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.668 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.92 147.89 90.41 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.035 -0.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 146.04 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -88.29 48.21 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 175.77 174.04 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.8 t -141.21 169.98 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.331 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -94.29 146.13 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.32 -24.47 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.66 156.26 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.238 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.93 106.32 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLY . 3.0 mmp_? -138.63 97.17 9.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.05 98.21 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -100.61 154.72 18.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -113.17 127.09 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.56 179.68 52.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -72.59 -22.39 60.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -90.01 16.65 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t30 59.77 41.74 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -110.65 119.34 38.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.6 m -88.15 120.51 29.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 73.0 m-85 -112.75 133.11 54.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -50.5 -44.21 45.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -144.74 -179.09 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 0.709 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.441 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 p -71.34 -51.23 25.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 108.331 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.44 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -66.02 -40.89 91.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.555 ' CD1' HD13 ' A' ' 23' ' ' LEU . 22.5 t80 -63.41 -48.29 78.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 m -60.68 -39.49 88.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -56.1 -37.95 70.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.465 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . . . -81.4 -28.55 34.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.424 HG22 ' CD2' ' A' ' 37' ' ' PHE . 95.6 t -69.04 -60.34 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.238 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.34 -27.21 32.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -39.78 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.4 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.1 OUTLIER -85.67 46.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.95 20.47 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.16 30.46 77.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.414 1.071 . . . . 0.0 111.019 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 44' ' ' SER . 69.7 p -95.16 -29.61 14.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -60.03 135.75 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 p -120.07 151.81 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 52' ' ' HIS . 2.2 tm? -73.63 123.69 24.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -48.08 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.411 ' N ' HD13 ' A' ' 50' ' ' LEU . 25.8 p80 -176.83 176.38 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.554 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -98.79 159.87 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.79 151.29 11.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 143.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.353 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 1' ' ' LEU . . . -40.52 148.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.362 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.503 ' O ' ' CG1' ' A' ' 4' ' ' VAL . . . -93.72 149.93 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 3' ' ' ALA . 6.0 p 50.32 178.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.372 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p -178.26 143.69 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.3 t -96.55 148.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 35.9 t0 -80.6 114.36 19.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.1 m -149.51 35.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -104.14 46.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.4 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.637 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -111.88 158.69 36.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.637 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.93 148.83 92.72 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.019 -0.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.6 145.5 41.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.02 64.05 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 179.66 160.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 15' ' ' ALA . 15.7 m -164.33 177.11 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 p -114.37 165.16 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.8 -28.0 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -49.51 149.16 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.72 124.07 51.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 2.1 mpt_? -143.74 95.69 5.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -75.02 139.96 24.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -145.62 173.37 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.3 t -131.53 135.94 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.89 176.84 42.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 t -70.44 -27.03 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.507 ' OD1' ' CD2' ' A' ' 48' ' ' LEU . 8.7 p-10 -87.74 12.52 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 68.1 41.42 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 110.66 22.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.9 m -85.87 121.17 28.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.376 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 93.4 m-85 -112.98 164.38 13.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.24 -34.09 8.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 3.3 m-20 -147.06 164.92 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -17.71 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' CA ' ' OH ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -68.59 -50.02 54.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.292 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.56 -44.37 94.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG2' ' A' ' 41' ' ' VAL . 5.9 t80 -62.28 -42.14 99.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 22.2 m -58.38 -49.42 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.28 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 2.1 t-20 -58.48 -29.27 66.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . . . -77.26 -32.42 55.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.633 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 51.8 t -68.53 -55.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -55.13 -40.74 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -41.08 80.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 110.239 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -88.86 41.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.353 1.033 . . . . 0.0 110.033 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 48.71 24.18 0.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 67.01 30.59 76.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 t -97.35 -12.39 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.399 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 ' CD2' ' OD1' ' A' ' 27' ' ' ASP . 2.9 tm? -82.22 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -114.01 160.54 18.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.62 120.82 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.89 -52.05 11.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -167.41 174.52 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.636 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.81 159.58 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 77.0 153.74 5.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -41.34 139.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.277 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.06 114.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.227 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 178.72 58.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 50.7 179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 1.9 p 179.27 151.67 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.3 m -94.31 157.26 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.359 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -78.52 114.89 17.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -125.08 3.27 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -78.74 60.91 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.66 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.629 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -37.39 155.62 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 147.37 89.11 Favored 'Cis proline' 0 C--N 1.359 1.108 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.967 -0.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -98.03 148.2 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -96.22 46.59 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 174.95 165.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.4 m -155.03 -179.47 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.267 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 p -98.58 149.18 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -82.04 -24.48 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 21' ' ' ARG . 2.2 pm0 -68.52 160.0 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -110.98 120.53 42.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -133.95 104.13 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -74.97 135.49 19.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -131.58 168.66 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.79 119.03 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 108.23 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 173.08 54.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -69.66 -24.72 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.457 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 15.8 p-10 -90.36 16.13 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t30 64.58 36.66 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.84 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.9 m -84.81 117.57 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 83.1 m-85 -108.78 165.14 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.59 -26.13 23.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.58 1.175 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -155.92 167.11 31.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 0.809 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 -16.74 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.416 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -70.62 -54.08 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -60.15 -47.92 83.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 41' ' ' VAL . 7.7 t80 -58.26 -55.26 37.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.6 m -57.0 -36.87 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -38.74 72.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.79 -31.78 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 37' ' ' PHE . 69.7 t -69.82 -58.49 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.502 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.53 -34.74 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.3 -31.87 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 39.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.547 1.154 . . . . 0.0 110.064 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 t30 59.71 15.76 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 65.56 29.1 74.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -88.17 -34.15 17.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 0.745 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 37.9 tp -61.82 137.33 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -119.24 153.69 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 53' ' ' PHE . 7.6 tp -80.19 118.92 22.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -42.82 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -175.96 177.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD1' HD22 ' A' ' 50' ' ' LEU . 7.3 m-85 -98.62 160.63 14.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.97 143.67 5.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.92 129.82 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.227 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.226 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.41 81.0 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.93 48.11 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.6 p -160.27 174.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 p -179.86 150.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 m -93.84 157.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.09 117.24 23.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 35.1 m -120.03 -1.95 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -72.15 60.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -164.88 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.62 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -38.22 159.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 0.0 110.99 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -74.99 145.82 84.97 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.0 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -82.87 148.91 27.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LYS . 2.4 t0 -38.54 -60.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.64 -177.4 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.8 t -108.77 165.89 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -99.54 167.12 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mp -88.6 -24.39 22.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.83 129.76 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.4 119.85 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.7 mmt180 -143.06 107.77 5.33 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.0 Cg_endo -75.12 138.09 22.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD23 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -132.72 168.57 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.1 t -136.17 111.7 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.58 177.78 43.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -74.06 -23.19 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 0.806 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.46 18.17 6.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 63.07 30.71 16.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 108.34 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.3 m -84.43 125.53 32.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.397 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 94.9 m-85 -112.11 163.76 13.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.5 -34.79 7.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -148.15 165.17 31.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -16.97 63.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 15.7 p -70.73 -50.77 32.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 22.5 m-80 -64.52 -41.06 96.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CD1' HG23 ' A' ' 41' ' ' VAL . 7.1 t80 -64.12 -46.64 83.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 1.6 m -64.63 -40.32 95.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 108.251 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -56.1 -36.55 68.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' O ' ' OG ' ' A' ' 44' ' ' SER . . . -81.22 -26.32 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.599 HG23 ' CD1' ' A' ' 37' ' ' PHE . 75.7 t -70.17 -58.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.503 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -58.92 -33.46 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.81 -29.03 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 40' ' ' ALA . 21.0 p -91.35 28.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.82 14.49 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 76.13 30.36 57.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.2 p -93.53 -28.67 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 0.724 . . . . 0.0 110.361 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 48' ' ' LEU . 1.4 tm? -62.94 119.32 9.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -105.13 151.2 24.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 tt -86.74 118.78 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.14 -43.55 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -176.38 173.56 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.632 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' CD1' HD23 ' A' ' 23' ' ' LEU . 24.1 m-85 -96.13 159.41 14.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 80.34 145.3 3.93 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -39.94 137.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.734 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.286 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.01 178.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 66.8 141.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 p -135.6 172.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -128.2 133.93 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 7' ' ' ASP . 79.2 t -97.24 144.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.421 ' N ' HG11 ' A' ' 6' ' ' VAL . 50.1 t0 -66.22 119.26 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 18.9 m -155.94 35.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 p -101.66 41.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' OE2' ' OD1' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -161.0 27.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -105.95 159.95 27.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.652 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.12 149.58 93.87 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -118.79 148.07 43.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.73 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 164.74 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -170.31 176.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.5 p -98.22 164.1 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -25.59 13.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 132.87 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.13 124.44 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mmt180 -142.46 96.83 6.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.437 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.03 131.07 13.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.518 1.799 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.84 166.4 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -121.22 140.36 52.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 108.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.28 -179.61 41.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -74.7 -24.61 58.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.79 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -89.46 15.19 9.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 64.71 40.26 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -108.5 108.55 19.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.1 m -84.6 125.82 32.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 96.5 m-85 -115.93 166.2 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -89.95 -37.81 6.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -141.51 160.09 40.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -17.44 63.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.429 ' CA ' ' OH ' ' A' ' 11' ' ' TYR . 10.1 m -70.11 -51.84 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.67 ' CD2' ' CD2' ' A' ' 31' ' ' TYR . 1.7 t80 -69.81 -41.21 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 40.2 m -62.75 -50.04 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 108.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -56.27 -28.79 59.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -79.74 -35.98 37.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.456 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 59.5 t -63.29 -55.68 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -54.58 -39.45 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.71 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.96 37.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.87 16.62 4.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.456 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 70.39 30.55 69.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -93.47 -34.81 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 0.814 . . . . 0.0 110.363 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.44 129.72 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.0 p -120.05 151.59 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.578 HD23 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -73.1 121.39 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.422 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -78.15 -48.92 14.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.413 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 28.5 p80 -174.38 166.66 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.675 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -82.26 167.7 18.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.611 1.195 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 66.05 155.73 0.33 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.06 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 152.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 174.69 154.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 51.25 179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.3 t -113.46 150.91 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -125.46 100.13 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.4 m -94.45 156.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 t0 -76.81 124.29 27.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 19.5 m -155.64 26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.21 33.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.78 19.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.669 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -96.26 160.46 29.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 150.04 94.75 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.01 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -99.65 148.65 24.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -85.39 51.45 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 175.95 159.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -132.01 172.63 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -96.36 146.44 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.21 -13.89 27.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.22 154.68 40.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.84 103.44 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' GLY . 5.0 mmp_? -132.46 95.78 20.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.01 130.94 13.73 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -138.82 161.69 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -117.85 138.41 52.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 108.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.27 -178.87 42.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 t -72.8 -31.75 65.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.503 ' OD1' ' CD2' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -87.95 14.26 9.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 69.3 43.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 1.4 mttt -102.34 108.43 19.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -84.17 114.66 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.46 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 57.0 m-85 -105.48 163.85 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -87.74 -32.06 13.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -155.33 178.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -70.67 -16.87 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 13.1 p -70.68 -51.07 30.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.465 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -65.0 -41.79 95.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' HD13 ' A' ' 23' ' ' LEU . 7.7 t80 -61.98 -49.74 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 26.0 m -56.26 -49.06 75.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.254 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.66 -32.03 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 31' ' ' TYR . . . -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.56 -58.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -55.45 -38.39 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.76 -30.54 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -87.75 14.09 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 74.45 4.53 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.15 29.64 12.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.478 1.111 . . . . 0.0 111.084 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 p -101.59 -28.4 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.324 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.503 ' CD2' ' OD1' ' A' ' 27' ' ' ASP . 1.5 tm? -69.87 125.37 26.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.423 ' N ' HD13 ' A' ' 48' ' ' LEU . 70.4 p -117.68 158.03 25.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.16 . . . . 0.0 110.463 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.413 HD21 ' N ' ' A' ' 52' ' ' HIS . 9.8 tt -81.78 119.75 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -44.88 19.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.413 ' N ' HD21 ' A' ' 50' ' ' LEU . 30.9 p80 -173.03 177.23 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.624 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -99.03 162.1 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 80.14 145.39 3.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 141.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.52 69.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.96 43.93 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.566 HG12 ' CD1' ' A' ' 53' ' ' PHE . 2.9 p -172.22 175.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t 178.96 132.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.582 HG13 ' CE1' ' A' ' 37' ' ' PHE . 10.6 p -96.84 157.16 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -108.94 126.04 52.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.1 m -135.82 12.87 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -79.21 65.96 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.93 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.678 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -38.48 159.08 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.972 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.678 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.93 146.81 87.7 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' ALA . 10.1 ptpt -101.67 148.04 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.29 44.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' O ' ' CD ' ' A' ' 13' ' ' LYS . . . -175.07 118.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.3 m -126.49 176.18 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -110.18 163.94 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.54 -23.02 23.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.14 161.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.04 121.5 43.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -143.7 98.91 5.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.1 Cg_endo -75.08 131.46 14.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 50' ' ' LEU . 8.0 mp -122.63 165.92 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 t -135.57 108.55 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 108.254 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.99 173.23 48.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -72.51 -22.53 61.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.741 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -86.26 8.46 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 70.63 35.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.4 mttt -99.91 111.11 23.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.9 m -87.01 115.96 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 83.5 m-85 -104.59 164.93 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.25 -33.53 8.71 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 23.2 m-20 -145.58 166.79 24.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -65.56 -18.19 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.63 -48.12 56.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.264 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -62.95 -45.96 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CE1' HG21 ' A' ' 41' ' ' VAL . 31.7 t80 -61.16 -50.76 71.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.7 m -59.86 -40.05 87.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.38 -34.65 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.34 -30.94 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.606 HG21 ' CE1' ' A' ' 37' ' ' PHE . 6.3 t -69.27 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.519 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -55.95 -26.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.82 -39.15 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.15 41.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 61.36 15.24 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 69.71 30.56 70.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.4 p -90.48 -34.05 15.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 0.804 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 49' ' ' THR . 2.2 tm? -54.87 133.09 47.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.425 ' N ' HD13 ' A' ' 48' ' ' LEU . 56.0 p -112.73 154.68 25.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 23' ' ' LEU . 9.1 tt -84.34 120.16 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -45.92 52.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -174.88 172.11 2.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.587 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CD1' HG12 ' A' ' 4' ' ' VAL . 4.1 m-85 -95.61 158.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.68 147.07 6.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.02 130.54 4.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 0.734 . . . . 0.0 109.229 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.26 -161.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 63.13 73.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.8 p -120.56 170.74 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t -132.33 137.35 47.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.6 m -94.92 156.01 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -64.4 124.97 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.7 m -155.23 33.01 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 108.332 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.44 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -107.49 43.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.94 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' OE1' ' N ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -161.96 27.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.648 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.31 163.99 15.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.953 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.648 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 140.08 65.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.944 -2.524 . . . . 0.0 111.079 -0.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -90.42 148.6 22.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.21 44.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.32 -178.71 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -145.73 -174.48 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 p -114.06 148.73 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.478 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -91.06 -26.47 19.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -64.23 153.75 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CE1' ' HD3' ' A' ' 22' ' ' PRO . 1.0 OUTLIER -112.29 116.77 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.54 99.89 4.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.478 ' HD3' ' CE1' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.09 121.17 6.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -125.79 163.41 22.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -122.45 129.12 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -178.7 48.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -78.0 -21.87 50.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -84.98 8.02 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t30 68.03 42.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -113.88 114.89 26.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.5 m -87.32 108.45 18.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.511 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 95.6 m-85 -95.34 162.86 13.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.58 -39.28 5.96 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -139.66 161.62 37.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -66.14 -14.36 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 14.8 p -70.21 -51.06 33.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -65.18 -42.15 93.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 41' ' ' VAL . 3.3 t80 -62.52 -46.38 88.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 111.029 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 17.1 m -56.81 -49.33 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -28.6 65.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -77.05 -30.93 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 37' ' ' PHE . 24.3 t -68.95 -59.46 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.76 -36.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.89 -32.38 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 41.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.94 18.38 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 65.68 30.73 77.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 t -98.23 -27.16 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.418 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 49' ' ' THR . 6.9 tt -58.11 126.94 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.423 ' N ' HD23 ' A' ' 48' ' ' LEU . 68.8 p -116.19 151.66 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.567 HD22 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -75.59 123.47 25.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.415 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.04 -49.68 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.471 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 23.9 p80 -172.15 174.01 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.556 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -96.52 164.01 12.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.52 152.31 3.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 136.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.93 65.97 1.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -179.57 90.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 5' ' ' SER . 8.8 p -54.26 163.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' HG23 ' A' ' 4' ' ' VAL . 10.7 p -161.15 153.59 20.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.47 157.55 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -87.82 111.45 21.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -120.71 1.94 10.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 108.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.6 m -70.97 59.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -165.58 -40.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.655 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -38.18 158.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.655 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 139.35 61.26 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -96.86 141.71 29.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -102.35 50.06 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.35 134.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -135.07 175.41 9.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -99.71 169.11 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.72 -27.4 14.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -60.3 157.42 13.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.229 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 0.9 OUTLIER -109.7 117.67 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 20' ' ' TYR . 2.4 mmp_? -129.71 95.78 28.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.219 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.08 137.81 22.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 pp -153.44 149.82 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.2 t -101.2 145.7 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 108.272 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.69 -179.4 33.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -76.38 -17.81 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 0.772 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 21.7 p-10 -94.06 2.8 55.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 9.4 t-20 78.07 37.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 tttm -108.89 112.82 25.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.8 m -88.24 109.03 19.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE1' ' HD3' ' A' ' 29' ' ' LYS . 94.3 m-85 -96.82 164.89 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.63 -32.55 9.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -144.39 169.33 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 1.8 m -71.26 -50.25 34.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.67 -45.85 90.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.529 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 7.4 t80 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 14.9 m -56.11 -35.74 67.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 108.349 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.426 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 1.1 m-80 -56.78 -39.75 74.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.67 -28.68 33.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 48' ' ' LEU . 57.8 t -69.49 -60.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.498 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.01 -32.93 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.42 -29.95 68.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.491 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.3 OUTLIER -95.35 29.62 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.024 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 t30 66.01 12.66 8.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 79.75 29.98 45.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 44' ' ' SER . 48.9 p -84.17 -38.61 20.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 41' ' ' VAL . 2.7 tm? -70.36 120.09 15.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.7 p -110.23 150.73 28.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.95 124.95 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -51.08 8.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -171.01 169.0 6.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.541 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -90.97 155.92 18.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.95 148.6 7.78 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -40.92 138.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 172.78 76.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.7 62.35 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 53' ' ' PHE . 24.5 t -149.01 149.06 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.31 119.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -94.78 156.34 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 59.9 t0 -103.82 115.08 29.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -129.39 8.0 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 55.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' OE1' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -177.68 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.634 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -40.82 154.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.634 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.07 141.13 70.77 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.994 0.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HD3' ' CD1' ' A' ' 11' ' ' TYR . 1.1 mtpp -82.55 132.59 35.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.45 -53.73 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.58 169.82 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 m -143.7 165.06 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.9 p -87.97 165.83 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -101.13 -24.63 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 136.07 3.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.59 120.04 32.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.8 mmt180 -143.53 101.22 5.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.08 135.1 18.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -132.42 166.57 21.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.98 108.48 7.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.55 166.63 54.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -68.63 -14.04 62.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -90.21 19.22 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.39 43.92 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -118.77 114.24 22.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -86.02 121.52 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 96.8 m-85 -105.12 162.93 12.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.35 -36.82 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -142.81 164.36 30.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.797 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -63.32 -17.55 62.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -70.87 -53.97 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 108.257 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.32 -37.94 79.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CE1' HG21 ' A' ' 6' ' ' VAL . 22.7 t80 -65.75 -54.55 25.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -58.05 -36.66 73.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.311 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -39.12 72.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -30.66 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.547 HG22 ' CD1' ' A' ' 37' ' ' PHE . 51.4 t -70.08 -59.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.14 -35.62 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.415 1.072 . . . . 0.0 109.248 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.86 -38.61 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.5 OUTLIER -87.95 44.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 55.21 19.42 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.38 30.46 77.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.053 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 44' ' ' SER . 74.1 p -89.93 -35.47 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.26 136.62 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.0 p -120.41 153.36 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD22 ' CE1' ' A' ' 53' ' ' PHE . 26.0 tp -82.49 118.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -37.43 67.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.052 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -176.21 173.0 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 4' ' ' VAL . 3.9 m-85 -100.36 159.98 14.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 78.93 150.95 5.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -39.9 137.07 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.74 . . . . 0.0 109.345 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.51 56.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.74 145.94 2.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p -75.28 177.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -165.31 148.34 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 7' ' ' ASP . 59.1 t -99.02 143.44 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.418 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 26.2 t0 -85.12 119.47 25.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.3 m -131.97 13.23 4.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 108.269 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -90.87 33.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 0.0 109.944 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.19 14.31 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.659 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -101.37 165.44 14.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 148.99 93.04 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.024 0.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -104.05 148.45 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.41 73.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.89 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t 57.56 -176.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.284 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.4 p -115.24 147.29 40.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -13.16 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -72.56 153.92 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.67 107.19 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 32' ' ' GLY . 4.4 ptp180 -142.71 99.0 5.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.5 Cg_endo -74.98 118.37 5.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 145.47 47.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.0 t -103.43 129.5 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.14 -179.83 49.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -71.51 -25.33 62.2 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.539 0.787 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 17.1 p-10 -89.43 15.06 9.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.9 t30 62.78 41.89 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -109.23 121.76 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.3 m -90.36 124.86 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 78.8 m-85 -117.01 129.51 56.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -49.12 -44.0 32.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -143.32 170.29 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -13.13 41.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 9.6 p -71.81 -51.43 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -64.3 -40.81 96.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 14.3 t80 -63.82 -51.66 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 1.6 m -58.33 -41.53 84.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -55.7 -35.04 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -31.52 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.489 HG22 ' CE2' ' A' ' 37' ' ' PHE . 38.6 t -69.62 -59.93 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.61 -31.93 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.07 -42.68 89.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.95 46.84 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.72 24.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.09 29.62 75.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 48' ' ' LEU . 14.6 t -84.49 -25.96 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.779 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.483 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 3.7 tp -70.92 137.47 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -117.95 160.69 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 tp -87.88 121.11 29.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.05 -45.79 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -178.02 170.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.083 . . . . 0.0 109.61 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -90.92 164.57 13.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 74.94 147.44 1.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.568 1.168 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.86 142.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 0.725 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.64 131.84 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.25 165.35 4.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.475 HG11 ' CE2' ' A' ' 53' ' ' PHE . 9.9 p -57.94 174.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -148.55 130.67 15.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.87 157.06 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -98.47 132.99 43.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 42' ' ' VAL . 48.7 t -147.17 20.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 t -91.65 22.42 4.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE2' ' CD ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -138.21 13.75 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.732 ' CD1' ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -97.59 158.09 33.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.672 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 142.59 75.22 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.976 0.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' CD ' ' OE2' ' A' ' 10' ' ' GLU . 1.7 mtpp -82.87 148.45 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.236 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -45.84 73.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 138.18 53.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.44 179.9 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 p -88.82 160.01 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.59 -22.12 11.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -62.38 157.77 19.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.27 109.31 20.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.8 mmt180 -144.44 96.83 5.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.5 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.95 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CB ' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -112.0 166.29 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.3 t -123.47 112.09 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.369 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 172.92 46.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -70.98 -22.46 62.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.422 ' CG ' ' CD1' ' A' ' 48' ' ' LEU . 14.8 p-10 -92.7 17.62 10.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 61.7 39.38 14.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -104.78 117.34 33.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.8 m -84.08 116.59 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.524 ' CG ' ' HA ' ' A' ' 37' ' ' PHE . 60.2 m-85 -109.85 130.62 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -53.76 -35.93 53.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.89 173.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -14.91 55.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.8 t -71.08 -54.99 9.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -40.91 98.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.537 ' CE1' HG23 ' A' ' 41' ' ' VAL . 3.7 t80 -61.92 -59.33 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.732 ' SG ' ' CD1' ' A' ' 11' ' ' TYR . 43.8 t -56.16 -38.07 70.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.586 1.179 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -55.7 -37.84 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.65 -31.09 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.537 HG23 ' CE1' ' A' ' 37' ' ' PHE . 87.0 t -70.23 -59.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.03 -35.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.96 -24.73 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -99.88 41.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.986 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.16 17.34 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 65.9 30.47 77.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.9 t -88.31 -35.15 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.456 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' CD1' ' CG ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -61.9 128.72 37.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 p -112.93 154.08 26.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.511 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -80.08 120.32 24.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 -51.12 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.431 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 15.7 p80 -174.43 167.66 3.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.475 ' CE2' HG11 ' A' ' 4' ' ' VAL . 15.9 m-85 -85.43 161.58 19.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.95 140.45 4.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -48.21 131.87 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.66 104.48 13.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.399 1.062 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.15 60.81 2.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.85 177.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 p -179.18 127.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.983 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 m -102.33 131.5 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -63.69 124.66 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.8 m -154.79 24.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 108.357 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.4 p -103.12 15.32 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -119.03 -30.72 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.652 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -43.36 166.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.652 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 131.28 23.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -82.54 148.85 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -116.83 71.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.11 -87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.6 m 66.85 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -109.92 169.2 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 -19.65 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.3 139.29 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.22 124.05 50.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 1.3 mmt180 -145.72 97.94 4.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.05 127.18 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 50' ' ' LEU . 1.1 pp -138.79 179.28 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.5 t -135.84 138.3 42.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 108.327 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.64 175.73 37.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -71.82 -16.23 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 0.714 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.62 11.12 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.1 t30 63.04 41.49 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 120.06 35.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.2 m -86.21 132.35 34.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.489 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 82.1 m-85 -115.7 164.16 14.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -84.51 -37.76 10.43 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -146.65 164.53 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.628 0.84 . . . . 0.0 109.33 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -64.7 -17.9 64.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -70.15 -54.1 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -57.84 -45.21 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.489 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . 20.2 t80 -62.36 -46.46 88.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 43.1 m -56.67 -48.47 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -30.67 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -77.25 -28.95 53.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.439 ' CG1' ' HA2' ' A' ' 46' ' ' GLY . 25.8 t -68.84 -56.96 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -54.25 -34.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 -23.35 49.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.419 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.4 OUTLIER -94.49 33.82 1.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.67 14.51 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 65.64 30.9 78.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -104.9 -13.28 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 110.405 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 37' ' ' PHE . 4.2 tp -72.9 127.71 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 p -113.37 154.74 26.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' CD1' HD12 ' A' ' 23' ' ' LEU . 14.4 tp -76.76 120.96 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -46.89 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -175.67 -176.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -103.8 162.04 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 73.72 155.99 3.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.93 140.4 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.06 173.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.525 ' O ' ' CG1' ' A' ' 4' ' ' VAL . . . -176.13 57.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 3' ' ' ALA . 7.1 p 51.13 176.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 p -154.86 123.98 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 7' ' ' ASP . 74.1 t -95.81 151.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' OE2' ' A' ' 10' ' ' GLU . 59.6 t0 -89.17 120.37 30.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 55.7 m -155.54 47.92 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 108.332 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 m -120.62 46.43 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' OE2' ' OD1' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -166.71 30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.672 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.45 163.32 17.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.672 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 145.08 82.95 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.014 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 9.9 mttp -86.21 148.73 25.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.08 -40.07 96.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.84 172.96 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 17' ' ' THR . 9.4 t -132.57 162.87 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 108.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.437 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 40.2 p -84.07 150.53 25.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.487 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' CD2' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -102.42 -7.2 22.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' N ' HD13 ' A' ' 18' ' ' LEU . 12.7 mp0 -66.08 145.99 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.85 99.14 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -131.85 95.63 22.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.05 122.08 6.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -131.64 155.21 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.7 t -113.64 133.45 55.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.17 -178.7 44.4 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -75.96 -24.26 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -85.8 9.18 17.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.7 t30 68.13 43.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -112.38 114.17 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.5 m -89.3 108.64 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 67.5 m-85 -96.88 161.1 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -80.55 -34.82 27.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -150.53 166.46 30.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -13.25 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -69.39 -52.02 31.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 108.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.513 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -66.19 -42.81 88.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' A' ' 23' ' ' LEU . 7.1 t80 -61.2 -44.47 97.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 6.4 m -56.85 -49.72 74.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.066 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.86 -32.37 65.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.07 -34.98 64.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.22 -59.06 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.4 -34.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -30.01 69.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -83.95 7.49 18.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t-20 80.59 -2.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.15 30.67 7.29 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -105.14 -30.45 9.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 132.82 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -121.16 155.82 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 23' ' ' LEU . 3.4 tp -78.24 124.06 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -51.8 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -170.59 176.57 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -92.23 165.87 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 71.36 148.01 0.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' CYS . 1.1 tmtp? -45.62 139.94 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.217 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.91 57.95 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.94 55.65 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 p -90.72 177.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 p -163.74 139.37 6.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.044 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 m -102.93 154.65 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -78.41 111.52 14.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.1 10.41 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 108.344 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -90.86 76.71 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.951 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.86 -37.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.64 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER -44.02 169.3 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.64 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 142.25 74.18 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 0.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 3.4 mtmt -102.5 148.83 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.54 68.51 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 171.58 170.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -156.16 175.83 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 108.301 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -107.18 145.54 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.23 -28.03 27.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.07 153.34 42.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.63 123.14 46.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.41 95.94 6.46 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 54' ' ' GLY . 18.4 Cg_endo -75.04 132.15 15.04 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.567 HD11 ' CD2' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -137.12 167.1 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -127.14 127.6 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 108.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.12 175.89 48.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -70.79 -14.68 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 1.2 p30 -90.21 -0.31 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.486 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 78.57 10.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 111.14 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.0 m -84.19 129.87 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.477 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 99.4 m-85 -113.59 165.63 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -90.57 -37.25 6.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 83.0 m-20 -141.74 160.23 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 109.395 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -64.82 -14.37 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.465 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.2 p -70.72 -50.77 32.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.8 OUTLIER -64.69 -42.31 95.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CE1' ' CG2' ' A' ' 41' ' ' VAL . 2.9 t80 -64.06 -44.17 93.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.557 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 6.1 m -56.53 -48.8 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 108.231 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 2.0 m120 -58.55 -32.17 68.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.477 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -73.47 -34.29 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.577 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 41.0 t -67.93 -58.02 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -55.57 -41.33 63.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.1 -39.85 72.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.57 44.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.16 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.43 30.56 76.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 48' ' ' LEU . 11.4 t -89.63 -25.03 21.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 47' ' ' THR . 7.9 tp -70.84 132.8 45.82 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -118.85 152.23 36.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 23' ' ' LEU . 32.1 tp -74.83 121.88 22.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -54.44 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -166.25 178.4 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -99.58 160.8 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.15 152.42 3.27 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' CYS . 0.7 OUTLIER -40.28 137.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.061 . . . . 0.0 108.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.39 163.1 23.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . -137.75 167.76 21.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.572 HG13 ' CE2' ' A' ' 53' ' ' PHE . 85.8 t 60.4 147.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' N ' HG12 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -172.5 90.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.981 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 7' ' ' ASP . 94.5 t -97.41 149.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 6' ' ' VAL . 15.3 t0 -88.86 126.6 35.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.6 m -150.8 64.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.256 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.92 43.49 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.95 26.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.644 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -101.58 165.61 13.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.941 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.644 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 144.21 80.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 148.86 23.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -77.54 55.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 14' ' ' ASP . . . 162.97 134.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 t -119.03 170.2 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 108.319 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.7 p -91.92 146.26 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -29.14 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.69 140.74 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.35 124.31 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -147.48 99.14 3.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.432 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.2 Cg_endo -75.06 132.25 15.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.394 1.734 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.4 162.46 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 t -115.59 145.14 42.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.12 175.68 24.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -74.36 -21.13 59.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.957 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.479 ' OD1' ' CD1' ' A' ' 48' ' ' LEU . 16.2 p-10 -89.52 11.63 18.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.21 39.94 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.4 117.94 33.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -92.95 122.37 35.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.492 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 83.5 m-85 -111.5 166.11 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.33 -33.56 8.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -140.14 158.49 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -62.75 -18.46 62.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 18.7 p -71.62 -51.12 24.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.8 m-80 -58.45 -42.5 87.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CE2' HD13 ' A' ' 50' ' ' LEU . 2.1 t80 -67.86 -44.01 78.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.525 ' HB3' ' CG ' ' A' ' 11' ' ' TYR . 4.1 m -56.89 -49.86 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 108.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.78 -30.42 63.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . . . -76.7 -32.1 57.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.528 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 45.9 t -68.51 -56.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.04 -37.88 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -34.81 79.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.14 38.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 59.69 16.05 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 109.244 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 65.52 30.32 77.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.0 p -95.72 -24.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 110.373 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' CD1' ' OD1' ' A' ' 27' ' ' ASP . 7.9 tp -68.72 133.61 48.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.1 p -118.96 150.9 39.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.379 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.567 HD13 ' CE2' ' A' ' 37' ' ' PHE . 5.7 tp -68.49 122.71 19.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -51.97 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -170.2 172.7 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 4' ' ' VAL . 48.5 m-85 -88.63 156.14 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 80.01 137.28 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLY . 29.6 pttt -40.48 138.65 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LYS . 2.2 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.31 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.92 164.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.97 -177.92 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 50' ' ' LEU . 0.4 OUTLIER 50.62 179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.408 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 0.9 OUTLIER 176.8 138.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.76 125.98 46.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -62.65 124.97 22.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 m -134.02 11.39 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.6 p -88.31 18.96 4.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -115.84 -31.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.623 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -50.96 169.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.95 148.6 92.15 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.03 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 8.8 mtpp -106.77 148.78 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -14.36 13.26 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.7 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 t 63.75 166.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 46.9 p -113.57 145.99 40.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.78 -30.5 22.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 3.9 mm-40 -49.76 166.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -115.27 118.52 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -137.49 98.79 9.83 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 136.79 21.07 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 HD21 ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -150.16 144.91 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 t -103.85 134.3 47.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -179.34 48.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -74.22 -28.18 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.3 17.6 7.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 67.04 37.28 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -99.75 96.65 7.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -86.4 110.62 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 27.6 m-85 -104.14 165.6 10.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.31 -36.88 6.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.437 1.085 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -128.14 152.94 47.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.99 -21.59 62.29 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.5 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 13.1 p -71.24 -50.77 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.9 m-80 -59.49 -42.89 93.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CE1' HD22 ' A' ' 48' ' ' LEU . 28.8 t80 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.592 1.183 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.1 -36.73 78.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.04 -40.26 76.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -79.65 -31.12 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' A' ' 37' ' ' PHE . 86.4 t -69.11 -59.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 HG12 ' CD ' ' A' ' 43' ' ' GLU . 0.5 OUTLIER -55.12 -28.66 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CD ' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -80.63 -26.49 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 m -90.68 36.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.7 t30 57.98 17.36 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.34 29.5 74.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.594 1.184 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 48' ' ' LEU . 9.7 t -83.51 -34.13 25.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 0.759 . . . . 0.0 110.391 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.564 HD22 ' CE1' ' A' ' 37' ' ' PHE . 15.2 tp -69.45 127.88 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.3 p -113.98 155.63 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 HD11 ' CG1' ' A' ' 4' ' ' VAL . 2.3 tm? -82.97 118.67 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -45.56 23.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.419 ' N ' HD13 ' A' ' 50' ' ' LEU . 26.2 p80 -178.63 170.7 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' CE1' HD21 ' A' ' 23' ' ' LEU . 26.3 m-85 -93.66 160.14 14.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 86.29 142.44 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.6 OUTLIER -39.99 134.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 34' ' ' LYS . 16.3 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 10' ' ' GLU . 63.5 t0 -63.08 128.94 38.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' A' ' 6' ' ' VAL . 84.3 m -155.07 25.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.284 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 p -102.28 39.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -153.67 22.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.766 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -102.95 166.16 12.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 146.88 87.87 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.021 0.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -100.4 148.97 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -95.13 54.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . -179.82 177.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.76 -175.44 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -115.05 146.66 41.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -23.47 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 160.32 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.13 120.98 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 4.3 mmp_? -143.31 99.97 5.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 132.65 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -126.68 166.6 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.7 t -135.96 111.74 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.24 172.42 47.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -68.85 -21.76 64.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.814 ' OD1' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -93.03 18.2 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 65.0 27.54 12.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 105.44 17.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.0 m -83.98 127.58 33.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.463 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HB2' HD12 ' A' ' 23' ' ' LEU . 95.3 m-85 -118.11 164.29 15.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.96 -36.48 6.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.509 ' C ' HD11 ' A' ' 23' ' ' LEU . 98.0 m-20 -145.44 160.09 42.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 0.754 . . . . 0.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.42 -13.6 41.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.466 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.4 p -69.86 -50.55 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -66.24 -42.72 88.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CE2' HD12 ' A' ' 50' ' ' LEU . 3.1 t80 -61.61 -45.73 92.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.827 ' O ' HG22 ' A' ' 42' ' ' VAL . 14.1 m -56.52 -48.96 76.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.62 -32.18 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -72.45 -37.98 68.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.439 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 14.6 t -63.27 -59.65 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -55.28 -39.38 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.22 -31.21 72.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -93.42 35.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.594 ' HB3' HG23 ' A' ' 47' ' ' THR . 62.3 t30 57.0 17.7 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 70.29 30.95 68.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 45' ' ' ASN . 63.0 p -98.42 -24.62 15.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.814 HD13 ' OD1' ' A' ' 27' ' ' ASP . 4.0 tp -64.23 134.15 54.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -120.34 152.12 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.803 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -82.74 118.53 23.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -45.68 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -169.84 179.15 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -98.0 173.2 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 59.98 155.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.49 143.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 8' ' ' CYS . 27.8 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 30.5 t0 -69.16 125.28 26.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 6' ' ' VAL . 39.3 m -151.48 26.5 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -100.03 42.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 27.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -108.86 164.07 15.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.762 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 148.41 91.55 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.971 0.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 7.8 ptmt -123.09 148.5 45.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.62 -58.05 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.533 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -51.32 149.83 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -142.28 168.83 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -89.42 148.27 23.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 mt -91.96 -26.42 18.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.81 164.45 21.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.25 115.55 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -134.79 99.57 12.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.523 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -75.02 131.38 14.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 111.045 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -123.08 165.63 16.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -136.16 117.28 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.97 177.21 53.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -74.48 -30.62 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.69 17.43 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 71.03 39.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -93.69 102.86 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 m -88.07 126.65 35.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 29' ' ' LYS . 92.7 m-85 -121.34 163.39 18.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -91.48 -37.61 6.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 76.5 m-20 -140.31 160.34 40.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -16.25 56.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.1 p -70.14 -51.05 34.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.25 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.9 OUTLIER -62.41 -41.88 99.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 t80 -63.67 -46.32 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.862 ' O ' HG22 ' A' ' 42' ' ' VAL . 18.5 m -58.96 -49.69 76.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.242 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -33.02 65.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.12 63.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 37' ' ' PHE . 72.1 t -66.53 -59.27 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.34 -39.3 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.87 -28.11 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.22 16.84 9.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 72.07 6.42 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.71 20.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.1 p -99.11 -27.49 13.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.4 tm? -65.99 129.95 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -120.18 153.48 36.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.611 HD12 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -84.66 121.95 28.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.379 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -41.82 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -171.09 -179.38 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.86 164.71 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.85 146.91 1.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.8 130.09 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 10' ' ' GLU . 51.1 t0 -66.79 125.36 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -155.26 25.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.97 27.02 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 2.8 pm0 -143.86 15.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.727 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -92.95 159.38 35.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.727 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 143.94 79.37 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.035 0.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 10' ' ' GLU . 6.5 mtpp -89.03 148.48 23.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -51.9 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.16 -176.06 2.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.72 176.77 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.457 ' C ' HD22 ' A' ' 18' ' ' LEU . 9.9 p -85.77 167.93 14.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.457 HD22 ' C ' ' A' ' 17' ' ' THR . 3.2 mm? -106.1 -26.39 11.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.9 pm0 -58.53 152.32 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.2 127.17 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -147.98 111.24 3.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.51 ' C ' HD12 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.0 133.48 16.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.877 HD23 HD13 ' A' ' 50' ' ' LEU . 9.8 mp -122.24 166.1 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.5 t -136.0 116.64 13.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.424 1.077 . . . . 0.0 108.311 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 172.17 54.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -68.67 -25.43 64.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.706 ' OD1' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.78 18.0 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 65.54 28.02 11.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.61 1.194 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -88.54 105.73 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -84.38 135.73 34.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.66 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 86.3 m-85 -124.82 166.63 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.93 -30.66 10.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 6.2 t-20 -153.0 158.73 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -17.48 59.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.459 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -69.94 -46.07 66.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.86 -35.41 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 50' ' ' LEU . 1.9 t80 -70.17 -40.12 74.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.797 ' O ' HG22 ' A' ' 42' ' ' VAL . 62.2 m -61.21 -49.08 78.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.1 -32.99 64.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -74.73 -31.23 61.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 37' ' ' PHE . 55.8 t -68.94 -57.81 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.27 -38.05 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -29.61 68.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -89.28 15.84 8.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 71.14 7.82 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.441 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 84.15 30.58 27.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 44' ' ' SER . 73.8 p -96.11 -33.32 12.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.363 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.706 HD13 ' OD1' ' A' ' 27' ' ' ASP . 4.5 tp -64.32 131.53 47.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -119.86 154.51 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD13 HD23 ' A' ' 23' ' ' LEU . 5.9 tp -83.31 122.38 28.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -39.48 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.616 1.197 . . . . 0.0 109.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -175.23 179.7 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.536 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 50' ' ' LEU . 5.7 m-85 -101.05 169.74 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 68.3 153.97 0.55 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 141.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 6' ' ' VAL . 27.0 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.03 134.22 51.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.1 m -121.71 14.43 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 108.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 m -78.22 52.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.758 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -113.18 161.28 27.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.758 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.92 147.89 90.41 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.035 -0.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 146.04 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 4.8 p-10 -88.29 48.21 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 175.77 174.04 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.8 t -141.21 169.98 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.331 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -94.29 146.13 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.32 -24.47 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.66 156.26 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.238 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.93 106.32 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.662 ' O ' HD23 ' A' ' 23' ' ' LEU . 3.0 mmp_? -138.63 97.17 9.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.05 98.21 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.686 HD11 ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -100.61 154.72 18.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -113.17 127.09 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.56 179.68 52.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -72.59 -22.39 60.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' OD1' HD21 ' A' ' 48' ' ' LEU . 15.8 p-10 -90.01 16.65 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t30 59.77 41.74 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -110.65 119.34 38.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 54.6 m -88.15 120.51 29.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 73.0 m-85 -112.75 133.11 54.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -50.5 -44.21 45.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' C ' HD21 ' A' ' 23' ' ' LEU . 5.1 m-20 -144.74 -179.09 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 0.709 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 p -71.34 -51.23 25.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 108.331 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.44 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -66.02 -40.89 91.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.5 t80 -63.41 -48.29 78.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 m -60.68 -39.49 88.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -56.1 -37.95 70.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.4 -28.55 34.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 37' ' ' PHE . 95.6 t -69.04 -60.34 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.238 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.716 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.34 -27.21 32.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -39.78 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -85.67 46.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.95 20.47 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.16 30.46 77.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.414 1.071 . . . . 0.0 111.019 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 44' ' ' SER . 69.7 p -95.16 -29.61 14.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 49' ' ' THR . 2.1 tm? -60.03 135.75 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.653 ' N ' HD13 ' A' ' 48' ' ' LEU . 28.9 p -120.07 151.81 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.627 HD23 HD12 ' A' ' 23' ' ' LEU . 2.2 tm? -73.63 123.69 24.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -48.08 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -176.83 176.38 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.554 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -98.79 159.87 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.79 151.29 11.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 143.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.353 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.593 HG23 HD22 ' A' ' 50' ' ' LEU . 98.3 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 35.9 t0 -80.6 114.36 19.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.1 m -149.51 35.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -104.14 46.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.4 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.721 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -111.88 158.69 36.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.721 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.93 148.83 92.72 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.019 -0.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.586 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -113.6 145.5 41.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 7.5 p-10 -93.02 64.05 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 179.66 160.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 15' ' ' ALA . 15.7 m -164.33 177.11 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 p -114.37 165.16 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.8 -28.0 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -49.51 149.16 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.72 124.07 51.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.1 mpt_? -143.74 95.69 5.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 139.96 24.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -145.62 173.37 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.3 t -131.53 135.94 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.89 176.84 42.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 t -70.44 -27.03 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.508 ' OD1' HD21 ' A' ' 48' ' ' LEU . 8.7 p-10 -87.74 12.52 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 68.1 41.42 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 110.66 22.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 42.9 m -85.87 121.17 28.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.376 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 93.4 m-85 -112.98 164.38 13.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.24 -34.09 8.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 3.3 m-20 -147.06 164.92 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -17.71 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.463 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -68.59 -50.02 54.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.292 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.56 -44.37 94.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG2' ' A' ' 41' ' ' VAL . 5.9 t80 -62.28 -42.14 99.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.8 ' O ' HG22 ' A' ' 42' ' ' VAL . 22.2 m -58.38 -49.42 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.28 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.4 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 2.1 t-20 -58.48 -29.27 66.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -77.26 -32.42 55.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.633 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 51.8 t -68.53 -55.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -55.13 -40.74 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -41.08 80.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 110.239 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -88.86 41.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.353 1.033 . . . . 0.0 110.033 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 48.71 24.18 0.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.45 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 67.01 30.59 76.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 44' ' ' SER . 7.4 t -97.35 -12.39 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 tm? -82.22 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.42 ' N ' HD13 ' A' ' 48' ' ' LEU . 76.5 p -114.01 160.54 18.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.593 HD22 HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -84.62 120.82 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.89 -52.05 11.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -167.41 174.52 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.636 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.81 159.58 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 77.0 153.74 5.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -41.34 139.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.277 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 34' ' ' LYS . 4.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -78.52 114.89 17.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -125.08 3.27 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -78.74 60.91 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.66 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.871 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -37.39 155.62 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.714 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 147.37 89.11 Favored 'Cis proline' 0 C--N 1.359 1.108 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.967 -0.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -98.03 148.2 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 20.5 t0 -96.22 46.59 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 174.95 165.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.4 m -155.03 -179.47 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.267 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 p -98.58 149.18 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -82.04 -24.48 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 21' ' ' ARG . 2.2 pm0 -68.52 160.0 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -110.98 120.53 42.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -133.95 104.13 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -74.97 135.49 19.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.817 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -131.58 168.66 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.79 119.03 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 108.23 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 173.08 54.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -69.66 -24.72 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' OD1' HD11 ' A' ' 48' ' ' LEU . 15.8 p-10 -90.36 16.13 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t30 64.58 36.66 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.84 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.9 m -84.81 117.57 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 37' ' ' PHE . 83.1 m-85 -108.78 165.14 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.59 -26.13 23.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.58 1.175 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -155.92 167.11 31.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 0.809 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.534 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -64.36 -16.74 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -70.62 -54.08 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -60.15 -47.92 83.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 41' ' ' VAL . 7.7 t80 -58.26 -55.26 37.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.6 m -57.0 -36.87 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -38.74 72.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HB3' ' OH ' ' A' ' 31' ' ' TYR . . . -80.79 -31.78 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 37' ' ' PHE . 69.7 t -69.82 -58.49 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.53 -34.74 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.3 -31.87 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 39.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.547 1.154 . . . . 0.0 110.064 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 t30 59.71 15.76 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.545 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.56 29.1 74.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -88.17 -34.15 17.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 0.745 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD11 ' OD1' ' A' ' 27' ' ' ASP . 37.9 tp -61.82 137.33 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -119.24 153.69 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 23' ' ' LEU . 7.6 tp -80.19 118.92 22.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -42.82 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -175.96 177.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 50' ' ' LEU . 7.3 m-85 -98.62 160.63 14.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.97 143.67 5.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -43.92 129.82 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.227 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.226 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.09 117.24 23.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 35.1 m -120.03 -1.95 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -72.15 60.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -164.88 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.706 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -38.22 159.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 0.0 110.99 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -74.99 145.82 84.97 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.0 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -82.87 148.91 27.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LYS . 2.4 t0 -38.54 -60.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.64 -177.4 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.8 t -108.77 165.89 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -99.54 167.12 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mp -88.6 -24.39 22.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.83 129.76 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.4 119.85 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.7 mmt180 -143.06 107.77 5.33 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -75.12 138.09 22.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -132.72 168.57 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.1 t -136.17 111.7 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.58 177.78 43.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -74.06 -23.19 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 0.806 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.46 18.17 6.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 63.07 30.71 16.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 108.34 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 16.3 m -84.43 125.53 32.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.562 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 94.9 m-85 -112.11 163.76 13.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.5 -34.79 7.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -148.15 165.17 31.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -16.97 63.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.452 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 15.7 p -70.73 -50.77 32.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.436 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 22.5 m-80 -64.52 -41.06 96.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.916 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.1 t80 -64.12 -46.64 83.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 1.6 m -64.63 -40.32 95.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 108.251 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -56.1 -36.55 68.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.22 -26.32 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 37' ' ' PHE . 75.7 t -70.17 -58.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -33.46 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.81 -29.03 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 47' ' ' THR . 21.0 p -91.35 28.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.82 14.49 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 76.13 30.36 57.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 44' ' ' SER . 69.2 p -93.53 -28.67 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 0.724 . . . . 0.0 110.361 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.643 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.4 tm? -62.94 119.32 9.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.617 ' N ' HD13 ' A' ' 48' ' ' LEU . 69.2 p -105.13 151.2 24.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.2 tt -86.74 118.78 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.14 -43.55 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -176.38 173.56 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.632 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -96.13 159.41 14.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 80.34 145.3 3.93 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -39.94 137.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.734 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.286 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 34' ' ' LYS . 79.2 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.402 ' OD1' ' OE2' ' A' ' 10' ' ' GLU . 50.1 t0 -66.22 119.26 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 18.9 m -155.94 35.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 p -101.66 41.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' OE2' ' OD1' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -161.0 27.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -105.95 159.95 27.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.12 149.58 93.87 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 40.5 pttt -118.79 148.07 43.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.73 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 164.74 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -170.31 176.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.5 p -98.22 164.1 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -25.59 13.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 132.87 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.13 124.44 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mmt180 -142.46 96.83 6.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.03 131.07 13.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.518 1.799 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.509 HD22 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -141.84 166.4 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -121.22 140.36 52.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 108.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.28 -179.61 41.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -74.7 -24.61 58.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.79 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.51 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.8 p-10 -89.46 15.19 9.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 64.71 40.26 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -108.5 108.55 19.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 21.1 m -84.6 125.82 32.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 96.5 m-85 -115.93 166.2 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -89.95 -37.81 6.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -141.51 160.09 40.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -63.86 -17.44 63.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 10.1 m -70.11 -51.84 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.892 ' CE2' HD22 ' A' ' 50' ' ' LEU . 1.7 t80 -69.81 -41.21 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.86 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.2 m -62.75 -50.04 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 108.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -56.27 -28.79 59.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -79.74 -35.98 37.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 37' ' ' PHE . 59.5 t -63.29 -55.68 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.58 -39.45 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.71 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -89.96 37.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.87 16.62 4.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.667 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 70.39 30.55 69.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 44' ' ' SER . 69.1 p -93.47 -34.81 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 0.814 . . . . 0.0 110.363 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.51 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -55.44 129.72 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 47' ' ' THR . 34.0 p -120.05 151.59 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.892 HD22 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -73.1 121.39 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.555 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -78.15 -48.92 14.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.422 ' O ' HD11 ' A' ' 50' ' ' LEU . 28.5 p80 -174.38 166.66 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.675 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -82.26 167.7 18.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.611 1.195 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 66.05 155.73 0.33 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.06 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 152.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.45 HG23 ' SG ' ' A' ' 8' ' ' CYS . 18.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 t0 -76.81 124.29 27.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' SG ' HG23 ' A' ' 6' ' ' VAL . 19.5 m -155.64 26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.21 33.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -149.78 19.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.761 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -96.26 160.46 29.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.761 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 150.04 94.75 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.01 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HD2' ' CG ' ' A' ' 10' ' ' GLU . 27.9 mtpp -99.65 148.65 24.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 26.8 m-20 -85.39 51.45 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 175.95 159.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -132.01 172.63 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -96.36 146.44 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.21 -13.89 27.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.22 154.68 40.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.84 103.44 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' GLY . 5.0 mmp_? -132.46 95.78 20.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.01 130.94 13.73 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -138.82 161.69 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -117.85 138.41 52.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 108.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.27 -178.87 42.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 t -72.8 -31.75 65.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.631 ' OD1' HD22 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -87.95 14.26 9.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 69.3 43.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 1.4 mttt -102.34 108.43 19.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 21.3 m -84.17 114.66 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.46 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 57.0 m-85 -105.48 163.85 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -87.74 -32.06 13.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -155.33 178.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -70.67 -16.87 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.473 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 13.1 p -70.68 -51.07 30.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.465 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -65.0 -41.79 95.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 7.7 t80 -61.98 -49.74 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.783 ' O ' HG22 ' A' ' 42' ' ' VAL . 26.0 m -56.26 -49.06 75.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.254 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.66 -32.03 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 31' ' ' TYR . . . -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' PHE . 53.2 t -68.56 -58.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.45 -38.39 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.76 -30.54 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -87.75 14.09 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 74.45 4.53 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.15 29.64 12.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.478 1.111 . . . . 0.0 111.084 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 p -101.59 -28.4 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.324 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.709 HD13 ' N ' ' A' ' 49' ' ' THR . 1.5 tm? -69.87 125.37 26.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.709 ' N ' HD13 ' A' ' 48' ' ' LEU . 70.4 p -117.68 158.03 25.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.16 . . . . 0.0 110.463 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.558 ' CD1' HD13 ' A' ' 23' ' ' LEU . 9.8 tt -81.78 119.75 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -44.88 19.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -173.03 177.23 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.624 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -99.03 162.1 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 80.14 145.39 3.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 141.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.576 HG11 ' CE1' ' A' ' 37' ' ' PHE . 10.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -108.94 126.04 52.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.1 m -135.82 12.87 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -79.21 65.96 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.93 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.928 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -38.48 159.08 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.972 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.93 146.81 87.7 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' ALA . 10.1 ptpt -101.67 148.04 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.29 44.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' O ' ' CD ' ' A' ' 13' ' ' LYS . . . -175.07 118.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.3 m -126.49 176.18 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -110.18 163.94 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.54 -23.02 23.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.14 161.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.04 121.5 43.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -143.7 98.91 5.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.641 ' O ' HD12 ' A' ' 23' ' ' LEU . 18.1 Cg_endo -75.08 131.46 14.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 22' ' ' PRO . 8.0 mp -122.63 165.92 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 t -135.57 108.55 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 108.254 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.99 173.23 48.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -72.51 -22.53 61.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.741 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.551 ' OD1' HD21 ' A' ' 48' ' ' LEU . 16.4 p-10 -86.26 8.46 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.1 OUTLIER 70.63 35.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.4 mttt -99.91 111.11 23.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.9 m -87.01 115.96 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 83.5 m-85 -104.59 164.93 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.25 -33.53 8.71 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 23.2 m-20 -145.58 166.79 24.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HD2' HG23 ' A' ' 6' ' ' VAL . 4.7 tttt -65.56 -18.19 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.63 -48.12 56.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.264 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -62.95 -45.96 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.576 ' CE1' HG11 ' A' ' 6' ' ' VAL . 31.7 t80 -61.16 -50.76 71.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.7 m -59.86 -40.05 87.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -57.38 -34.65 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.34 -30.94 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.514 HG22 ' HB3' ' A' ' 48' ' ' LEU . 6.3 t -69.27 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.928 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -55.95 -26.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -70.82 -39.15 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -90.15 41.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 61.36 15.24 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 69.71 30.56 70.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 44' ' ' SER . 72.4 p -90.48 -34.05 15.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 0.804 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 ' OD1' ' A' ' 27' ' ' ASP . 2.2 tm? -54.87 133.09 47.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.452 ' N ' HD13 ' A' ' 48' ' ' LEU . 56.0 p -112.73 154.68 25.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 9.1 tt -84.34 120.16 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -45.92 52.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.447 ' N ' HD23 ' A' ' 50' ' ' LEU . 19.7 p80 -174.88 172.11 2.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.587 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -95.61 158.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.68 147.07 6.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -43.02 130.54 4.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 0.734 . . . . 0.0 109.229 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.463 HG23 ' SG ' ' A' ' 8' ' ' CYS . 18.6 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -64.4 124.97 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' HG23 ' A' ' 6' ' ' VAL . 59.7 m -155.23 33.01 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 108.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.44 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -107.49 43.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.94 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' OE1' ' N ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -161.96 27.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.739 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.31 163.99 15.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.953 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.739 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 140.08 65.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.944 -2.524 . . . . 0.0 111.079 -0.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -90.42 148.6 22.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.21 44.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.32 -178.71 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -145.73 -174.48 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 35' ' ' CYS . 25.4 p -114.06 148.73 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.478 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -91.06 -26.47 19.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -64.23 153.75 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CE1' ' HD3' ' A' ' 22' ' ' PRO . 1.0 OUTLIER -112.29 116.77 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.862 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.54 99.89 4.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.09 121.17 6.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.862 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -125.79 163.41 22.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -122.45 129.12 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -178.7 48.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -78.0 -21.87 50.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -84.98 8.02 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t30 68.03 42.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -113.88 114.89 26.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.5 m -87.32 108.45 18.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.573 ' OH ' ' HB1' ' A' ' 40' ' ' ALA . 95.6 m-85 -95.34 162.86 13.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.58 -39.28 5.96 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -139.66 161.62 37.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -66.14 -14.36 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.513 ' HB3' HG23 ' A' ' 17' ' ' THR . 14.8 p -70.21 -51.06 33.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -65.18 -42.15 93.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.661 ' CE2' HD22 ' A' ' 50' ' ' LEU . 3.3 t80 -62.52 -46.38 88.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 111.029 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.734 ' O ' HG22 ' A' ' 42' ' ' VAL . 17.1 m -56.81 -49.33 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -28.6 65.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.573 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -77.05 -30.93 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLY . 24.3 t -68.95 -59.46 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.734 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.76 -36.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.89 -32.38 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 41.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.94 18.38 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 65.68 30.73 77.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 49' ' ' THR . 3.3 t -98.23 -27.16 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 49' ' ' THR . 6.9 tt -58.11 126.94 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 47' ' ' THR . 68.8 p -116.19 151.66 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.67 HD13 ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -75.59 123.47 25.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.67 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.04 -49.68 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.489 ' O ' HD11 ' A' ' 50' ' ' LEU . 23.9 p80 -172.15 174.01 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.556 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -96.52 164.01 12.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.52 152.31 3.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 136.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' A' ' 34' ' ' LYS . 21.8 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -87.82 111.45 21.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -120.71 1.94 10.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 108.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.6 m -70.97 59.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -165.58 -40.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.904 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -38.18 158.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.743 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 139.35 61.26 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 3.5 ptmt -96.86 141.71 29.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -102.35 50.06 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.35 134.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -135.07 175.41 9.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -99.71 169.11 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.72 -27.4 14.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -60.3 157.42 13.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.229 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.9 OUTLIER -109.7 117.67 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 20' ' ' TYR . 2.4 mmp_? -129.71 95.78 28.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.219 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.08 137.81 22.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.53 HD13 HD12 ' A' ' 50' ' ' LEU . 1.6 pp -153.44 149.82 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.2 t -101.2 145.7 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 108.272 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.69 -179.4 33.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -76.38 -17.81 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 0.772 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.533 ' OD1' HD21 ' A' ' 48' ' ' LEU . 21.7 p-10 -94.06 2.8 55.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 1.2 t30 78.07 37.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 tttm -108.89 112.82 25.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.8 m -88.24 109.03 19.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE1' ' HD3' ' A' ' 29' ' ' LYS . 94.3 m-85 -96.82 164.89 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.63 -32.55 9.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -144.39 169.33 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.612 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -69.59 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 1.8 m -71.26 -50.25 34.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.67 -45.85 90.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.824 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.4 t80 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 14.9 m -56.11 -35.74 67.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 108.349 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.78 -39.75 74.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.67 -28.68 33.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 37' ' ' PHE . 57.8 t -69.49 -60.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.904 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.01 -32.93 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.42 -29.95 68.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -95.35 29.62 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.024 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 t30 66.01 12.66 8.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.629 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 79.75 29.98 45.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 44' ' ' SER . 48.9 p -84.17 -38.61 20.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD12 HG22 ' A' ' 41' ' ' VAL . 2.7 tm? -70.36 120.09 15.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.7 p -110.23 150.73 28.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -68.95 124.95 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -51.08 8.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -171.01 169.0 6.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.541 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -90.97 155.92 18.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.95 148.6 7.78 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -40.92 138.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.721 HG21 ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 59.9 t0 -103.82 115.08 29.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -129.39 8.0 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 55.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -177.68 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.847 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -40.82 154.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.713 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.07 141.13 70.77 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.994 0.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HD3' ' CD1' ' A' ' 11' ' ' TYR . 1.1 mtpp -82.55 132.59 35.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.45 -53.73 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.58 169.82 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 m -143.7 165.06 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.9 p -87.97 165.83 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -101.13 -24.63 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 136.07 3.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.59 120.04 32.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.8 mmt180 -143.53 101.22 5.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.605 ' O ' HD23 ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.08 135.1 18.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -132.42 166.57 21.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.98 108.48 7.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.55 166.63 54.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -68.63 -14.04 62.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 16.6 p-10 -90.21 19.22 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.39 43.92 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 27' ' ' ASP . 3.0 mmtt -118.77 114.24 22.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -86.02 121.52 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 96.8 m-85 -105.12 162.93 12.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.35 -36.82 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -142.81 164.36 30.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.797 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -63.32 -17.55 62.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.446 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -70.87 -53.97 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 108.257 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.32 -37.94 79.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.876 ' CE1' HG21 ' A' ' 41' ' ' VAL . 22.7 t80 -65.75 -54.55 25.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -58.05 -36.66 73.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.311 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -39.12 72.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -30.66 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.876 HG21 ' CE1' ' A' ' 37' ' ' PHE . 51.4 t -70.08 -59.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.847 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.14 -35.62 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.415 1.072 . . . . 0.0 109.248 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.86 -38.61 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -87.95 44.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.491 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER 55.21 19.42 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.504 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.38 30.46 77.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 44' ' ' SER . 74.1 p -89.93 -35.47 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 HG22 ' A' ' 41' ' ' VAL . 2.7 tm? -54.26 136.62 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.442 ' N ' HD13 ' A' ' 48' ' ' LEU . 68.0 p -120.41 153.36 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 26.0 tp -82.49 118.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -37.43 67.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.052 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -176.21 173.0 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE1' HD21 ' A' ' 50' ' ' LEU . 3.9 m-85 -100.36 159.98 14.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 78.93 150.95 5.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -39.9 137.07 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.74 . . . . 0.0 109.345 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.701 HG23 HD22 ' A' ' 50' ' ' LEU . 59.1 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.418 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 26.2 t0 -85.12 119.47 25.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 56.3 m -131.97 13.23 4.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 108.269 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -90.87 33.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 0.0 109.944 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -142.19 14.31 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.347 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.757 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -101.37 165.44 14.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.757 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 148.99 93.04 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.024 0.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -104.05 148.45 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.41 73.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.89 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t 57.56 -176.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.284 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.4 p -115.24 147.29 40.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -13.16 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -72.56 153.92 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.67 107.19 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 23' ' ' LEU . 4.4 ptp180 -142.71 99.0 5.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.5 Cg_endo -74.98 118.37 5.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -120.56 145.47 47.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.0 t -103.43 129.5 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.14 -179.83 49.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -71.51 -25.33 62.2 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.539 0.787 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.599 ' OD1' HD13 ' A' ' 48' ' ' LEU . 17.1 p-10 -89.43 15.06 9.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.9 t30 62.78 41.89 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -109.23 121.76 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.3 m -90.36 124.86 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.526 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 78.8 m-85 -117.01 129.51 56.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -49.12 -44.0 32.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -143.32 170.29 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.658 ' HD2' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.81 -13.13 41.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 9.6 p -71.81 -51.43 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -64.3 -40.81 96.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CB ' HD11 ' A' ' 23' ' ' LEU . 14.3 t80 -63.82 -51.66 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 1.6 m -58.33 -41.53 84.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -55.7 -35.04 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -31.52 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.581 ' CG2' HD23 ' A' ' 48' ' ' LEU . 38.6 t -69.62 -59.93 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.61 -31.93 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.07 -42.68 89.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.752 ' HB3' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -88.95 46.84 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.72 24.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.09 29.62 75.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.752 HG22 ' HB3' ' A' ' 44' ' ' SER . 14.6 t -84.49 -25.96 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.779 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 ' OD1' ' A' ' 27' ' ' ASP . 3.7 tp -70.92 137.47 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -117.95 160.69 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.701 HD22 HG23 ' A' ' 6' ' ' VAL . 1.2 tp -87.88 121.11 29.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.05 -45.79 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -178.02 170.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.083 . . . . 0.0 109.61 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -90.92 164.57 13.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 74.94 147.44 1.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.568 1.168 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.86 142.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 0.725 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 23.5 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -98.47 132.99 43.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 42' ' ' VAL . 48.7 t -147.17 20.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 t -91.65 22.42 4.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE2' ' CD ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -138.21 13.75 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.901 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -97.59 158.09 33.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.757 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 142.59 75.22 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.976 0.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' CD ' ' OE2' ' A' ' 10' ' ' GLU . 1.7 mtpp -82.87 148.45 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.236 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -45.84 73.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 138.18 53.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.44 179.9 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 p -88.82 160.01 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.59 -22.12 11.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -62.38 157.77 19.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.27 109.31 20.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.8 mmt180 -144.44 96.83 5.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.5 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.95 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -112.0 166.29 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.3 t -123.47 112.09 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.369 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 172.92 46.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -70.98 -22.46 62.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.894 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.8 p-10 -92.7 17.62 10.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.456 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 61.7 39.38 14.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -104.78 117.34 33.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.8 m -84.08 116.59 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' HD12 ' A' ' 23' ' ' LEU . 60.2 m-85 -109.85 130.62 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -53.76 -35.93 53.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.489 ' C ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -154.89 173.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.48 -14.91 55.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.8 t -71.08 -54.99 9.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -40.91 98.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.624 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.7 t80 -61.92 -59.33 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.732 ' SG ' ' CD1' ' A' ' 11' ' ' TYR . 43.8 t -56.16 -38.07 70.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.586 1.179 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -55.7 -37.84 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.65 -31.09 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.677 HG12 ' HA2' ' A' ' 46' ' ' GLY . 87.0 t -70.23 -59.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.03 -35.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.96 -24.73 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.57 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.1 m -99.88 41.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.16 17.34 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.677 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.9 30.47 77.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' ' 44' ' ' SER . 7.9 t -88.31 -35.15 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.894 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -61.9 128.72 37.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 p -112.93 154.08 26.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -80.08 120.32 24.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.584 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -73.02 -51.12 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.456 ' O ' HD11 ' A' ' 50' ' ' LEU . 15.7 p80 -174.43 167.66 3.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.481 ' CD1' HD23 ' A' ' 23' ' ' LEU . 15.9 m-85 -85.43 161.58 19.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.95 140.45 4.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -48.21 131.87 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -63.69 124.66 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.8 m -154.79 24.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 108.357 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.4 p -103.12 15.32 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -119.03 -30.72 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -43.36 166.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 131.28 23.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -82.54 148.85 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -116.83 71.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.11 -87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.6 m 66.85 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -109.92 169.2 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 -19.65 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.3 139.29 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.22 124.05 50.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 1.3 mmt180 -145.72 97.94 4.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.05 127.18 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.942 HD13 ' CD1' ' A' ' 50' ' ' LEU . 1.1 pp -138.79 179.28 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.5 t -135.84 138.3 42.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 108.327 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.64 175.73 37.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -71.82 -16.23 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 0.714 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.62 11.12 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.1 t30 63.04 41.49 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 120.06 35.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 16.2 m -86.21 132.35 34.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 82.1 m-85 -115.7 164.16 14.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -84.51 -37.76 10.43 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -146.65 164.53 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.628 0.84 . . . . 0.0 109.33 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -64.7 -17.9 64.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.498 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -70.15 -54.1 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -57.84 -45.21 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . 20.2 t80 -62.36 -46.46 88.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.68 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.1 m -56.67 -48.47 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -30.67 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -77.25 -28.95 53.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.532 ' CG2' HD23 ' A' ' 48' ' ' LEU . 25.8 t -68.84 -56.96 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.25 -34.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 -23.35 49.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.49 33.82 1.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.67 14.51 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 65.64 30.9 78.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.9 -13.28 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 110.405 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.532 HD23 ' CG2' ' A' ' 41' ' ' VAL . 4.2 tp -72.9 127.71 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 p -113.37 154.74 26.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.942 ' CD1' HD13 ' A' ' 23' ' ' LEU . 14.4 tp -76.76 120.96 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -46.89 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -175.67 -176.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE1' HD21 ' A' ' 50' ' ' LEU . 6.8 m-85 -103.8 162.04 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 73.72 155.99 3.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.93 140.4 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 1.125 HG23 HD22 ' A' ' 50' ' ' LEU . 74.1 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' OE2' ' A' ' 10' ' ' GLU . 59.6 t0 -89.17 120.37 30.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 55.7 m -155.54 47.92 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 108.332 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 m -120.62 46.43 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' HG2' ' CE ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -166.71 30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.763 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.45 163.32 17.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.763 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 145.08 82.95 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.014 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 9.9 mttp -86.21 148.73 25.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.08 -40.07 96.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.84 172.96 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 17' ' ' THR . 9.4 t -132.57 162.87 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 108.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.437 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 40.2 p -84.07 150.53 25.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.487 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.771 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -102.42 -7.2 22.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' N ' HD13 ' A' ' 18' ' ' LEU . 12.7 mp0 -66.08 145.99 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.85 99.14 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.466 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -131.85 95.63 22.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.05 122.08 6.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CG ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -131.64 155.21 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.7 t -113.64 133.45 55.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.17 -178.7 44.4 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -75.96 -24.26 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.422 ' OD1' HD13 ' A' ' 48' ' ' LEU . 18.0 p-10 -85.8 9.18 17.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.7 t30 68.13 43.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -112.38 114.17 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 13.5 m -89.3 108.64 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 67.5 m-85 -96.88 161.1 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -80.55 -34.82 27.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -150.53 166.46 30.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -66.3 -13.25 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -69.39 -52.02 31.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 108.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.513 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -66.19 -42.81 88.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CG ' HD11 ' A' ' 23' ' ' LEU . 7.1 t80 -61.2 -44.47 97.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.684 ' O ' HG22 ' A' ' 42' ' ' VAL . 6.4 m -56.85 -49.72 74.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.066 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.86 -32.37 65.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.07 -34.98 64.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.448 ' HA ' HD23 ' A' ' 48' ' ' LEU . 37.2 t -62.22 -59.06 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.4 -34.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -30.01 69.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -83.95 7.49 18.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t-20 80.59 -2.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.15 30.67 7.29 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -105.14 -30.45 9.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -63.18 132.82 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -121.16 155.82 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.125 HD22 HG23 ' A' ' 6' ' ' VAL . 3.4 tp -78.24 124.06 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -51.8 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -170.59 176.57 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -92.23 165.87 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 71.36 148.01 0.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' CYS . 1.1 tmtp? -45.62 139.94 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.217 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.436 HG13 HD22 ' A' ' 50' ' ' LEU . 27.7 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -78.41 111.52 14.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.1 10.41 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 108.344 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -90.86 76.71 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.951 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.86 -37.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.736 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER -44.02 169.3 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.736 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 142.25 74.18 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 0.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 3.4 mtmt -102.5 148.83 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -91.54 68.51 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 171.58 170.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -156.16 175.83 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 108.301 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -107.18 145.54 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.23 -28.03 27.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.07 153.34 42.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.63 123.14 46.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -142.41 95.94 6.46 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.04 132.15 15.04 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.61 HD12 HD13 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -137.12 167.1 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -127.14 127.6 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 108.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.12 175.89 48.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -70.79 -14.68 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' CG ' HD13 ' A' ' 48' ' ' LEU . 1.2 p30 -90.21 -0.31 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.486 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 78.57 10.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 111.14 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.663 HG21 ' HD2' ' A' ' 55' ' ' LYS . 26.0 m -84.19 129.87 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.502 ' OH ' ' HB1' ' A' ' 40' ' ' ALA . 99.4 m-85 -113.59 165.63 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -90.57 -37.25 6.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 83.0 m-20 -141.74 160.23 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 109.395 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -64.82 -14.37 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.2 p -70.72 -50.77 32.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.8 OUTLIER -64.69 -42.31 95.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.666 ' CE1' HG21 ' A' ' 41' ' ' VAL . 2.9 t80 -64.06 -44.17 93.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.85 ' O ' HG22 ' A' ' 42' ' ' VAL . 6.1 m -56.53 -48.8 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 108.231 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.42 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 12.3 m-20 -58.55 -32.17 68.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.502 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -73.47 -34.29 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.666 HG21 ' CE1' ' A' ' 37' ' ' PHE . 41.0 t -67.93 -58.02 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -55.57 -41.33 63.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.1 -39.85 72.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.732 ' HB3' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER -91.57 44.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.16 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.43 30.56 76.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.732 HG22 ' HB3' ' A' ' 44' ' ' SER . 11.4 t -89.63 -25.03 21.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.484 HD13 ' CG ' ' A' ' 27' ' ' ASP . 7.9 tp -70.84 132.8 45.82 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -118.85 152.23 36.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 23' ' ' LEU . 32.1 tp -74.83 121.88 22.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -54.44 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -166.25 178.4 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -99.58 160.8 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.15 152.42 3.27 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.663 ' HD2' HG21 ' A' ' 30' ' ' THR . 0.7 OUTLIER -40.28 137.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.061 . . . . 0.0 108.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 94.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -88.86 126.6 35.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.6 m -150.8 64.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.256 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.92 43.49 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.95 26.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.74 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -101.58 165.61 13.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.941 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.74 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 144.21 80.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 148.86 23.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.68 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -77.54 55.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 162.97 134.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 t -119.03 170.2 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 108.319 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.7 p -91.92 146.26 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -29.14 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.69 140.74 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.35 124.31 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -147.48 99.14 3.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.06 132.25 15.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.394 1.734 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HB2' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -137.4 162.46 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 t -115.59 145.14 42.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.12 175.68 24.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -74.36 -21.13 59.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.957 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' OD1' HD13 ' A' ' 48' ' ' LEU . 16.2 p-10 -89.52 11.63 18.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.21 39.94 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.4 117.94 33.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.42 HG23 ' HA ' ' A' ' 55' ' ' LYS . 4.1 m -92.95 122.37 35.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 83.5 m-85 -111.5 166.11 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.33 -33.56 8.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -140.14 158.49 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 8.4 tttt -62.75 -18.46 62.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 18.7 p -71.62 -51.12 24.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.8 m-80 -58.45 -42.5 87.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.678 ' CE1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 -67.86 -44.01 78.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.828 ' O ' HG22 ' A' ' 42' ' ' VAL . 4.1 m -56.89 -49.86 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 108.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.78 -30.42 63.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.7 -32.1 57.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.678 HG21 ' CE1' ' A' ' 37' ' ' PHE . 45.9 t -68.51 -56.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.04 -37.88 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -34.81 79.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -90.14 38.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 59.69 16.05 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 109.244 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.602 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.52 30.32 77.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 44' ' ' SER . 31.0 p -95.72 -24.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD13 ' OD1' ' A' ' 27' ' ' ASP . 7.9 tp -68.72 133.61 48.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.1 p -118.96 150.9 39.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.379 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.665 HD12 ' CE2' ' A' ' 37' ' ' PHE . 5.7 tp -68.49 122.71 19.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -51.97 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -170.2 172.7 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -88.63 156.14 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 80.01 137.28 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HA ' HG23 ' A' ' 30' ' ' THR . 29.6 pttt -40.48 138.65 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LYS . 2.2 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.31 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -62.65 124.97 22.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 m -134.02 11.39 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.6 p -88.31 18.96 4.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 11' ' ' TYR . 2.6 pm0 -115.84 -31.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.735 ' CB ' HG21 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -50.96 169.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.719 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.95 148.6 92.15 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.03 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 8.8 mtpp -106.77 148.78 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -14.36 13.26 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.7 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 t 63.75 166.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 46.9 p -113.57 145.99 40.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.78 -30.5 22.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 3.9 mm-40 -49.76 166.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -115.27 118.52 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -137.49 98.79 9.83 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.91 136.79 21.07 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.483 HD23 ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -150.16 144.91 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 t -103.85 134.3 47.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -179.34 48.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -74.22 -28.18 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.3 17.6 7.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 67.04 37.28 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -99.75 96.65 7.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -86.4 110.62 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 27.6 m-85 -104.14 165.6 10.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.31 -36.88 6.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.437 1.085 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -128.14 152.94 47.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.99 -21.59 62.29 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.5 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 13.1 p -71.24 -50.77 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.9 m-80 -59.49 -42.89 93.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.832 ' O ' HG23 ' A' ' 41' ' ' VAL . 28.8 t80 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.592 1.183 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.1 -36.73 78.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -40.26 76.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -79.65 -31.12 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 37' ' ' PHE . 86.4 t -69.11 -59.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.735 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -55.12 -28.66 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' CD ' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -80.63 -26.49 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.706 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.2 m -90.68 36.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.7 t30 57.98 17.36 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.34 29.5 74.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.594 1.184 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.706 HG22 ' HB3' ' A' ' 44' ' ' SER . 9.7 t -83.51 -34.13 25.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 0.759 . . . . 0.0 110.391 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.696 HD23 HG22 ' A' ' 41' ' ' VAL . 15.2 tp -69.45 127.88 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.3 p -113.98 155.63 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.3 tm? -82.97 118.67 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -45.56 23.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -178.63 170.7 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.483 ' CE1' HD23 ' A' ' 23' ' ' LEU . 26.3 m-85 -93.66 160.14 14.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 86.29 142.44 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.6 OUTLIER -39.99 134.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.63 73.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 88.02 2.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.619 HG22 ' H ' ' A' ' 5' ' ' SER . 5.4 p -140.75 175.57 5.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.619 ' H ' HG22 ' A' ' 4' ' ' VAL . 15.4 p -176.88 152.72 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 34' ' ' LYS . 16.3 m -101.47 156.38 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 10' ' ' GLU . 63.5 t0 -63.08 128.94 38.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' A' ' 6' ' ' VAL . 84.3 m -155.07 25.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.284 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 p -102.28 39.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -153.67 22.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.766 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -102.95 166.16 12.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 146.88 87.87 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.021 0.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -100.4 148.97 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -95.13 54.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . -179.82 177.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.76 -175.44 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -115.05 146.66 41.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -23.47 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 160.32 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.13 120.98 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 4.3 mmp_? -143.31 99.97 5.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 132.65 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -126.68 166.6 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.7 t -135.96 111.74 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.24 172.42 47.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -68.85 -21.76 64.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.814 ' OD1' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -93.03 18.2 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 65.0 27.54 12.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 105.44 17.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.0 m -83.98 127.58 33.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.463 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HB2' HD12 ' A' ' 23' ' ' LEU . 95.3 m-85 -118.11 164.29 15.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.96 -36.48 6.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.509 ' C ' HD11 ' A' ' 23' ' ' LEU . 98.0 m-20 -145.44 160.09 42.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 0.754 . . . . 0.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.42 -13.6 41.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.466 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.4 p -69.86 -50.55 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -66.24 -42.72 88.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CE2' HD12 ' A' ' 50' ' ' LEU . 3.1 t80 -61.61 -45.73 92.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.827 ' O ' HG22 ' A' ' 42' ' ' VAL . 14.1 m -56.52 -48.96 76.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.62 -32.18 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -72.45 -37.98 68.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.439 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 14.6 t -63.27 -59.65 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -55.28 -39.38 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.22 -31.21 72.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -93.42 35.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.594 ' HB3' HG23 ' A' ' 47' ' ' THR . 62.3 t30 57.0 17.7 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 70.29 30.95 68.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 45' ' ' ASN . 63.0 p -98.42 -24.62 15.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.814 HD13 ' OD1' ' A' ' 27' ' ' ASP . 4.0 tp -64.23 134.15 54.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -120.34 152.12 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.803 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -82.74 118.53 23.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -45.68 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -169.84 179.15 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -98.0 173.2 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 59.98 155.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.49 143.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.01 15.65 9.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.68 -161.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 5' ' ' SER . 0.3 OUTLIER -80.74 179.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -168.17 141.13 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 8' ' ' CYS . 27.8 m -101.8 157.06 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 30.5 t0 -69.16 125.28 26.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 6' ' ' VAL . 39.3 m -151.48 26.5 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -100.03 42.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 27.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -108.86 164.07 15.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.762 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 148.41 91.55 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.971 0.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 7.8 ptmt -123.09 148.5 45.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.62 -58.05 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.533 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -51.32 149.83 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -142.28 168.83 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -89.42 148.27 23.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 mt -91.96 -26.42 18.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.81 164.45 21.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.25 115.55 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -134.79 99.57 12.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.523 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -75.02 131.38 14.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 111.045 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -123.08 165.63 16.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -136.16 117.28 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.97 177.21 53.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -74.48 -30.62 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.69 17.43 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 71.03 39.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -93.69 102.86 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 m -88.07 126.65 35.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 29' ' ' LYS . 92.7 m-85 -121.34 163.39 18.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -91.48 -37.61 6.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 76.5 m-20 -140.31 160.34 40.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -16.25 56.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.1 p -70.14 -51.05 34.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.25 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.9 OUTLIER -62.41 -41.88 99.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 t80 -63.67 -46.32 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.862 ' O ' HG22 ' A' ' 42' ' ' VAL . 18.5 m -58.96 -49.69 76.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.242 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -33.02 65.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.12 63.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 37' ' ' PHE . 72.1 t -66.53 -59.27 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.34 -39.3 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.87 -28.11 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.22 16.84 9.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 72.07 6.42 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.71 20.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.1 p -99.11 -27.49 13.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.4 tm? -65.99 129.95 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -120.18 153.48 36.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.611 HD12 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -84.66 121.95 28.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.379 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -41.82 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -171.09 -179.38 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' CE2' HG11 ' A' ' 4' ' ' VAL . 3.8 m-85 -101.86 164.71 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.85 146.91 1.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.8 130.09 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.68 -178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 66.5 58.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.627 HG13 ' N ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 50.9 -180.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.627 ' N ' HG13 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -179.98 119.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.956 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -104.86 134.7 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 10' ' ' GLU . 51.1 t0 -66.79 125.36 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -155.26 25.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.97 27.02 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 2.8 pm0 -143.86 15.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.727 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -92.95 159.38 35.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.727 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 143.94 79.37 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.035 0.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 10' ' ' GLU . 6.5 mtpp -89.03 148.48 23.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -51.9 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.16 -176.06 2.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.72 176.77 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.457 ' C ' HD22 ' A' ' 18' ' ' LEU . 9.9 p -85.77 167.93 14.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.457 HD22 ' C ' ' A' ' 17' ' ' THR . 3.2 mm? -106.1 -26.39 11.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.9 pm0 -58.53 152.32 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.2 127.17 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -147.98 111.24 3.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.51 ' C ' HD12 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.0 133.48 16.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.877 HD23 HD13 ' A' ' 50' ' ' LEU . 9.8 mp -122.24 166.1 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.5 t -136.0 116.64 13.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.424 1.077 . . . . 0.0 108.311 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 172.17 54.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -68.67 -25.43 64.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.706 ' OD1' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.78 18.0 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 65.54 28.02 11.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.61 1.194 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -88.54 105.73 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -84.38 135.73 34.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.66 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 86.3 m-85 -124.82 166.63 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.93 -30.66 10.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 6.2 t-20 -153.0 158.73 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -17.48 59.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.459 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -69.94 -46.07 66.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.86 -35.41 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 50' ' ' LEU . 1.9 t80 -70.17 -40.12 74.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.797 ' O ' HG22 ' A' ' 42' ' ' VAL . 62.2 m -61.21 -49.08 78.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.1 -32.99 64.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -74.73 -31.23 61.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 37' ' ' PHE . 55.8 t -68.94 -57.81 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.27 -38.05 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -29.61 68.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -89.28 15.84 8.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 71.14 7.82 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.441 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 84.15 30.58 27.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 44' ' ' SER . 73.8 p -96.11 -33.32 12.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.363 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.706 HD13 ' OD1' ' A' ' 27' ' ' ASP . 4.5 tp -64.32 131.53 47.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -119.86 154.51 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD13 HD23 ' A' ' 23' ' ' LEU . 5.9 tp -83.31 122.38 28.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -39.48 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.616 1.197 . . . . 0.0 109.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -175.23 179.7 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.536 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 50' ' ' LEU . 5.7 m-85 -101.05 169.74 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 68.3 153.97 0.55 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 141.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.62 171.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.06 60.43 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.358 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.661 HG22 ' H ' ' A' ' 5' ' ' SER . 5.9 p -151.18 176.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.661 ' H ' HG22 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -178.79 108.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 6' ' ' VAL . 27.0 m -93.67 100.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.03 134.22 51.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.1 m -121.71 14.43 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 108.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 m -78.22 52.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.758 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -113.18 161.28 27.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.758 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.92 147.89 90.41 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.035 -0.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 146.04 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 4.8 p-10 -88.29 48.21 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 175.77 174.04 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.8 t -141.21 169.98 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.331 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -94.29 146.13 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.32 -24.47 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.66 156.26 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.238 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.93 106.32 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.662 ' O ' HD23 ' A' ' 23' ' ' LEU . 3.0 mmp_? -138.63 97.17 9.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.05 98.21 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.686 HD11 ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -100.61 154.72 18.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -113.17 127.09 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.56 179.68 52.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -72.59 -22.39 60.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' OD1' HD21 ' A' ' 48' ' ' LEU . 15.8 p-10 -90.01 16.65 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t30 59.77 41.74 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -110.65 119.34 38.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 54.6 m -88.15 120.51 29.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 73.0 m-85 -112.75 133.11 54.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -50.5 -44.21 45.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' C ' HD21 ' A' ' 23' ' ' LEU . 5.1 m-20 -144.74 -179.09 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 0.709 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 p -71.34 -51.23 25.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 108.331 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.44 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -66.02 -40.89 91.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.5 t80 -63.41 -48.29 78.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 m -60.68 -39.49 88.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -56.1 -37.95 70.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.4 -28.55 34.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 37' ' ' PHE . 95.6 t -69.04 -60.34 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.238 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.716 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.34 -27.21 32.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -39.78 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -85.67 46.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.95 20.47 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.16 30.46 77.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.414 1.071 . . . . 0.0 111.019 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 44' ' ' SER . 69.7 p -95.16 -29.61 14.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 49' ' ' THR . 2.1 tm? -60.03 135.75 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.653 ' N ' HD13 ' A' ' 48' ' ' LEU . 28.9 p -120.07 151.81 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.627 HD23 HD12 ' A' ' 23' ' ' LEU . 2.2 tm? -73.63 123.69 24.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -48.08 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -176.83 176.38 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.554 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.603 ' HE2' HG21 ' A' ' 4' ' ' VAL . 14.2 m-85 -98.79 159.87 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.79 151.29 11.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 143.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.353 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 1' ' ' LEU . . . -40.52 148.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.362 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -93.72 149.93 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 3' ' ' ALA . 6.0 p 50.32 178.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.372 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.703 ' H ' HG22 ' A' ' 4' ' ' VAL . 8.5 p -178.26 143.69 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.593 HG23 HD22 ' A' ' 50' ' ' LEU . 98.3 t -96.55 148.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 35.9 t0 -80.6 114.36 19.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.1 m -149.51 35.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -104.14 46.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.4 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.721 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -111.88 158.69 36.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.721 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.93 148.83 92.72 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.019 -0.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.586 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -113.6 145.5 41.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 7.5 p-10 -93.02 64.05 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 179.66 160.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 15' ' ' ALA . 15.7 m -164.33 177.11 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 p -114.37 165.16 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.8 -28.0 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -49.51 149.16 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.72 124.07 51.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.1 mpt_? -143.74 95.69 5.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 139.96 24.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -145.62 173.37 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.3 t -131.53 135.94 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.89 176.84 42.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 t -70.44 -27.03 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' OD1' HD21 ' A' ' 48' ' ' LEU . 8.7 p-10 -87.74 12.52 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 68.1 41.42 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 110.66 22.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 42.9 m -85.87 121.17 28.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.376 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 93.4 m-85 -112.98 164.38 13.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.24 -34.09 8.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 3.3 m-20 -147.06 164.92 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -17.71 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.463 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -68.59 -50.02 54.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.292 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.56 -44.37 94.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG2' ' A' ' 41' ' ' VAL . 5.9 t80 -62.28 -42.14 99.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.8 ' O ' HG22 ' A' ' 42' ' ' VAL . 22.2 m -58.38 -49.42 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.28 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 2.1 t-20 -58.48 -29.27 66.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -77.26 -32.42 55.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.633 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 51.8 t -68.53 -55.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -55.13 -40.74 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -41.08 80.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 110.239 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -88.86 41.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.353 1.033 . . . . 0.0 110.033 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 48.71 24.18 0.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.45 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 67.01 30.59 76.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 44' ' ' SER . 7.4 t -97.35 -12.39 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 tm? -82.22 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.42 ' N ' HD13 ' A' ' 48' ' ' LEU . 76.5 p -114.01 160.54 18.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.593 HD22 HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -84.62 120.82 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.89 -52.05 11.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -167.41 174.52 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.636 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.81 159.58 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 77.0 153.74 5.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -41.34 139.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.277 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 3' ' ' ALA . . . -176.06 114.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.227 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 2' ' ' ALA . . . 178.72 58.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.619 HG13 ' N ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 50.7 179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.619 ' N ' HG13 ' A' ' 4' ' ' VAL . 1.9 p 179.27 151.67 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 34' ' ' LYS . 4.3 m -94.31 157.26 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.359 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -78.52 114.89 17.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -125.08 3.27 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -78.74 60.91 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.66 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.871 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -37.39 155.62 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.714 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 147.37 89.11 Favored 'Cis proline' 0 C--N 1.359 1.108 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.967 -0.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -98.03 148.2 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 20.5 t0 -96.22 46.59 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 174.95 165.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.4 m -155.03 -179.47 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.267 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 p -98.58 149.18 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -82.04 -24.48 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 21' ' ' ARG . 2.2 pm0 -68.52 160.0 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -110.98 120.53 42.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -133.95 104.13 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -74.97 135.49 19.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.817 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -131.58 168.66 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.79 119.03 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 108.23 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 173.08 54.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -69.66 -24.72 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' OD1' HD11 ' A' ' 48' ' ' LEU . 15.8 p-10 -90.36 16.13 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t30 64.58 36.66 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.84 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.9 m -84.81 117.57 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 37' ' ' PHE . 83.1 m-85 -108.78 165.14 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.59 -26.13 23.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.58 1.175 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -155.92 167.11 31.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 0.809 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.534 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -64.36 -16.74 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -70.62 -54.08 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -60.15 -47.92 83.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 41' ' ' VAL . 7.7 t80 -58.26 -55.26 37.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.6 m -57.0 -36.87 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -38.74 72.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HB3' ' OH ' ' A' ' 31' ' ' TYR . . . -80.79 -31.78 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 37' ' ' PHE . 69.7 t -69.82 -58.49 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.53 -34.74 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.3 -31.87 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 39.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.547 1.154 . . . . 0.0 110.064 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 t30 59.71 15.76 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.545 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.56 29.1 74.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -88.17 -34.15 17.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 0.745 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD11 ' OD1' ' A' ' 27' ' ' ASP . 37.9 tp -61.82 137.33 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -119.24 153.69 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 23' ' ' LEU . 7.6 tp -80.19 118.92 22.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -42.82 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -175.96 177.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 50' ' ' LEU . 7.3 m-85 -98.62 160.63 14.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.97 143.67 5.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -43.92 129.82 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.227 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.226 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 51' ' ' SER . . . -97.41 81.0 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.93 48.11 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.603 HG22 ' H ' ' A' ' 5' ' ' SER . 9.6 p -160.27 174.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.603 ' H ' HG22 ' A' ' 4' ' ' VAL . 5.3 p -179.86 150.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 m -93.84 157.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.09 117.24 23.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 35.1 m -120.03 -1.95 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -72.15 60.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -164.88 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.706 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -38.22 159.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 0.0 110.99 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -74.99 145.82 84.97 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.0 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -82.87 148.91 27.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LYS . 2.4 t0 -38.54 -60.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.64 -177.4 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.8 t -108.77 165.89 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -99.54 167.12 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mp -88.6 -24.39 22.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.83 129.76 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.4 119.85 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.7 mmt180 -143.06 107.77 5.33 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -75.12 138.09 22.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -132.72 168.57 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.1 t -136.17 111.7 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.58 177.78 43.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -74.06 -23.19 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 0.806 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.46 18.17 6.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 63.07 30.71 16.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 108.34 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 16.3 m -84.43 125.53 32.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.562 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 94.9 m-85 -112.11 163.76 13.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.5 -34.79 7.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -148.15 165.17 31.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -16.97 63.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.452 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 15.7 p -70.73 -50.77 32.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 22.5 m-80 -64.52 -41.06 96.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.916 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.1 t80 -64.12 -46.64 83.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 1.6 m -64.63 -40.32 95.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 108.251 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -56.1 -36.55 68.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.22 -26.32 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 37' ' ' PHE . 75.7 t -70.17 -58.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -33.46 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.81 -29.03 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 47' ' ' THR . 21.0 p -91.35 28.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.82 14.49 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 76.13 30.36 57.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 44' ' ' SER . 69.2 p -93.53 -28.67 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 0.724 . . . . 0.0 110.361 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.643 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.4 tm? -62.94 119.32 9.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.617 ' N ' HD13 ' A' ' 48' ' ' LEU . 69.2 p -105.13 151.2 24.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.2 tt -86.74 118.78 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -77.14 -43.55 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.009 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -176.38 173.56 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.632 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -96.13 159.41 14.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 80.34 145.3 3.93 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -39.94 137.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.734 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.286 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 65.01 178.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 66.8 141.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 5' ' ' SER . 10.0 p -135.6 172.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.568 ' H ' HG22 ' A' ' 4' ' ' VAL . 1.1 t -128.2 133.93 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 34' ' ' LYS . 79.2 t -97.24 144.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.402 ' OD1' ' OE2' ' A' ' 10' ' ' GLU . 50.1 t0 -66.22 119.26 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 18.9 m -155.94 35.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 p -101.66 41.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' OE2' ' OD1' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -161.0 27.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -105.95 159.95 27.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.12 149.58 93.87 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 40.5 pttt -118.79 148.07 43.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.73 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 164.74 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -170.31 176.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.5 p -98.22 164.1 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -25.59 13.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 132.87 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.13 124.44 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mmt180 -142.46 96.83 6.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.03 131.07 13.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.518 1.799 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.509 HD22 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -141.84 166.4 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -121.22 140.36 52.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 108.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.28 -179.61 41.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -74.7 -24.61 58.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.79 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.51 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.8 p-10 -89.46 15.19 9.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 64.71 40.26 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -108.5 108.55 19.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 21.1 m -84.6 125.82 32.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 96.5 m-85 -115.93 166.2 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -89.95 -37.81 6.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -141.51 160.09 40.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -63.86 -17.44 63.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 10.1 m -70.11 -51.84 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.892 ' CE2' HD22 ' A' ' 50' ' ' LEU . 1.7 t80 -69.81 -41.21 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.86 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.2 m -62.75 -50.04 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 108.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -56.27 -28.79 59.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -79.74 -35.98 37.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 37' ' ' PHE . 59.5 t -63.29 -55.68 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.58 -39.45 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.71 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -89.96 37.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.87 16.62 4.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.667 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 70.39 30.55 69.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 44' ' ' SER . 69.1 p -93.47 -34.81 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 0.814 . . . . 0.0 110.363 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.51 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -55.44 129.72 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 47' ' ' THR . 34.0 p -120.05 151.59 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.892 HD22 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -73.1 121.39 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.555 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -78.15 -48.92 14.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.422 ' O ' HD11 ' A' ' 50' ' ' LEU . 28.5 p80 -174.38 166.66 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.675 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -82.26 167.7 18.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.611 1.195 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 66.05 155.73 0.33 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.06 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 152.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 2.1 pp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 1' ' ' LEU . . . 174.69 154.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 51.25 179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.53 HG11 ' CE2' ' A' ' 53' ' ' PHE . 25.3 t -113.46 150.91 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -125.46 100.13 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.45 HG23 ' SG ' ' A' ' 8' ' ' CYS . 18.4 m -94.45 156.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 t0 -76.81 124.29 27.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' SG ' HG23 ' A' ' 6' ' ' VAL . 19.5 m -155.64 26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.21 33.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -149.78 19.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.761 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -96.26 160.46 29.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.761 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 150.04 94.75 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.01 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HD2' ' CG ' ' A' ' 10' ' ' GLU . 27.9 mtpp -99.65 148.65 24.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 26.8 m-20 -85.39 51.45 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 175.95 159.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -132.01 172.63 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -96.36 146.44 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.21 -13.89 27.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.22 154.68 40.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.84 103.44 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' GLY . 5.0 mmp_? -132.46 95.78 20.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.01 130.94 13.73 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -138.82 161.69 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -117.85 138.41 52.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 108.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.27 -178.87 42.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 t -72.8 -31.75 65.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.631 ' OD1' HD22 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -87.95 14.26 9.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 69.3 43.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 1.4 mttt -102.34 108.43 19.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 21.3 m -84.17 114.66 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.46 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 57.0 m-85 -105.48 163.85 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -87.74 -32.06 13.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -155.33 178.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -70.67 -16.87 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.473 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 13.1 p -70.68 -51.07 30.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.465 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -65.0 -41.79 95.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 7.7 t80 -61.98 -49.74 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.783 ' O ' HG22 ' A' ' 42' ' ' VAL . 26.0 m -56.26 -49.06 75.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.254 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.66 -32.03 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 31' ' ' TYR . . . -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' PHE . 53.2 t -68.56 -58.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.45 -38.39 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.76 -30.54 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -87.75 14.09 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 74.45 4.53 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.15 29.64 12.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.478 1.111 . . . . 0.0 111.084 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 p -101.59 -28.4 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.324 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.709 HD13 ' N ' ' A' ' 49' ' ' THR . 1.5 tm? -69.87 125.37 26.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.709 ' N ' HD13 ' A' ' 48' ' ' LEU . 70.4 p -117.68 158.03 25.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.16 . . . . 0.0 110.463 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.558 ' CD1' HD13 ' A' ' 23' ' ' LEU . 9.8 tt -81.78 119.75 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -44.88 19.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -173.03 177.23 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.624 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.53 ' CE2' HG11 ' A' ' 4' ' ' VAL . 2.4 m-85 -99.03 162.1 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 80.14 145.39 3.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 141.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.52 69.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.96 43.93 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 5' ' ' SER . 2.9 p -172.22 175.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.584 ' H ' HG22 ' A' ' 4' ' ' VAL . 40.8 t 178.96 132.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.576 HG11 ' CE1' ' A' ' 37' ' ' PHE . 10.6 p -96.84 157.16 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -108.94 126.04 52.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.1 m -135.82 12.87 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -79.21 65.96 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.93 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.928 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -38.48 159.08 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.972 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.93 146.81 87.7 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' ALA . 10.1 ptpt -101.67 148.04 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.29 44.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' O ' ' CD ' ' A' ' 13' ' ' LYS . . . -175.07 118.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.3 m -126.49 176.18 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -110.18 163.94 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.54 -23.02 23.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.14 161.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.04 121.5 43.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -143.7 98.91 5.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.641 ' O ' HD12 ' A' ' 23' ' ' LEU . 18.1 Cg_endo -75.08 131.46 14.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 22' ' ' PRO . 8.0 mp -122.63 165.92 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 t -135.57 108.55 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 108.254 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.99 173.23 48.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -72.51 -22.53 61.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.741 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.551 ' OD1' HD21 ' A' ' 48' ' ' LEU . 16.4 p-10 -86.26 8.46 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.1 OUTLIER 70.63 35.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.4 mttt -99.91 111.11 23.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.9 m -87.01 115.96 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 83.5 m-85 -104.59 164.93 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.25 -33.53 8.71 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 23.2 m-20 -145.58 166.79 24.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HD2' HG23 ' A' ' 6' ' ' VAL . 4.7 tttt -65.56 -18.19 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.63 -48.12 56.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.264 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -62.95 -45.96 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.576 ' CE1' HG11 ' A' ' 6' ' ' VAL . 31.7 t80 -61.16 -50.76 71.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.7 m -59.86 -40.05 87.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -57.38 -34.65 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.34 -30.94 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.514 HG22 ' HB3' ' A' ' 48' ' ' LEU . 6.3 t -69.27 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.928 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -55.95 -26.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -70.82 -39.15 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -90.15 41.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 61.36 15.24 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 69.71 30.56 70.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 44' ' ' SER . 72.4 p -90.48 -34.05 15.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 0.804 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 ' OD1' ' A' ' 27' ' ' ASP . 2.2 tm? -54.87 133.09 47.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.452 ' N ' HD13 ' A' ' 48' ' ' LEU . 56.0 p -112.73 154.68 25.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 9.1 tt -84.34 120.16 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -45.92 52.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.447 ' N ' HD23 ' A' ' 50' ' ' LEU . 19.7 p80 -174.88 172.11 2.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.587 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.473 ' CD1' HG11 ' A' ' 4' ' ' VAL . 4.1 m-85 -95.61 158.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.68 147.07 6.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -43.02 130.54 4.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 0.734 . . . . 0.0 109.229 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.628 HD23 ' H ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.628 ' H ' HD23 ' A' ' 1' ' ' LEU . . . 68.26 -161.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 63.13 73.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.519 HG22 ' H ' ' A' ' 5' ' ' SER . 11.8 p -120.56 170.74 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.519 ' H ' HG22 ' A' ' 4' ' ' VAL . 6.5 t -132.33 137.35 47.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.463 HG23 ' SG ' ' A' ' 8' ' ' CYS . 18.6 m -94.92 156.01 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -64.4 124.97 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' HG23 ' A' ' 6' ' ' VAL . 59.7 m -155.23 33.01 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 108.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.44 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -107.49 43.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.94 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' OE1' ' N ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -161.96 27.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.739 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.31 163.99 15.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.953 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.739 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 140.08 65.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.944 -2.524 . . . . 0.0 111.079 -0.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -90.42 148.6 22.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.21 44.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.32 -178.71 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -145.73 -174.48 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 35' ' ' CYS . 25.4 p -114.06 148.73 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.478 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -91.06 -26.47 19.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -64.23 153.75 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CE1' ' HD3' ' A' ' 22' ' ' PRO . 1.0 OUTLIER -112.29 116.77 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.862 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.54 99.89 4.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.09 121.17 6.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.862 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -125.79 163.41 22.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -122.45 129.12 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -178.7 48.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -78.0 -21.87 50.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -84.98 8.02 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t30 68.03 42.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -113.88 114.89 26.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.5 m -87.32 108.45 18.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.573 ' OH ' ' HB1' ' A' ' 40' ' ' ALA . 95.6 m-85 -95.34 162.86 13.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.58 -39.28 5.96 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -139.66 161.62 37.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -66.14 -14.36 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.513 ' HB3' HG23 ' A' ' 17' ' ' THR . 14.8 p -70.21 -51.06 33.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -65.18 -42.15 93.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.661 ' CE2' HD22 ' A' ' 50' ' ' LEU . 3.3 t80 -62.52 -46.38 88.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 111.029 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.734 ' O ' HG22 ' A' ' 42' ' ' VAL . 17.1 m -56.81 -49.33 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -28.6 65.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.573 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -77.05 -30.93 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLY . 24.3 t -68.95 -59.46 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.734 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.76 -36.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.89 -32.38 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 41.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.94 18.38 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 65.68 30.73 77.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 49' ' ' THR . 3.3 t -98.23 -27.16 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 49' ' ' THR . 6.9 tt -58.11 126.94 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 47' ' ' THR . 68.8 p -116.19 151.66 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.67 HD13 ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -75.59 123.47 25.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.67 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.04 -49.68 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.489 ' O ' HD11 ' A' ' 50' ' ' LEU . 23.9 p80 -172.15 174.01 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.556 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -96.52 164.01 12.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.52 152.31 3.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 136.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 3' ' ' ALA . . . 58.93 65.97 1.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 2' ' ' ALA . . . -179.57 90.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 5' ' ' SER . 8.8 p -54.26 163.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 4' ' ' VAL . 10.7 p -161.15 153.59 20.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' A' ' 34' ' ' LYS . 21.8 t -94.47 157.55 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -87.82 111.45 21.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -120.71 1.94 10.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 108.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.6 m -70.97 59.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -165.58 -40.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.904 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -38.18 158.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.743 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 139.35 61.26 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 3.5 ptmt -96.86 141.71 29.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -102.35 50.06 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.35 134.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -135.07 175.41 9.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -99.71 169.11 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.72 -27.4 14.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -60.3 157.42 13.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.229 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.9 OUTLIER -109.7 117.67 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 20' ' ' TYR . 2.4 mmp_? -129.71 95.78 28.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.219 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.08 137.81 22.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.53 HD13 HD12 ' A' ' 50' ' ' LEU . 1.6 pp -153.44 149.82 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.2 t -101.2 145.7 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 108.272 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.69 -179.4 33.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -76.38 -17.81 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 0.772 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.533 ' OD1' HD21 ' A' ' 48' ' ' LEU . 21.7 p-10 -94.06 2.8 55.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 1.2 t30 78.07 37.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 tttm -108.89 112.82 25.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.8 m -88.24 109.03 19.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE1' ' HD3' ' A' ' 29' ' ' LYS . 94.3 m-85 -96.82 164.89 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.63 -32.55 9.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -144.39 169.33 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.612 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -69.59 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 1.8 m -71.26 -50.25 34.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.67 -45.85 90.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.824 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.4 t80 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 14.9 m -56.11 -35.74 67.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 108.349 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.78 -39.75 74.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.67 -28.68 33.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 37' ' ' PHE . 57.8 t -69.49 -60.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.904 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.01 -32.93 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.42 -29.95 68.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -95.35 29.62 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.024 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 t30 66.01 12.66 8.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.629 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 79.75 29.98 45.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 44' ' ' SER . 48.9 p -84.17 -38.61 20.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD12 HG22 ' A' ' 41' ' ' VAL . 2.7 tm? -70.36 120.09 15.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.7 p -110.23 150.73 28.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -68.95 124.95 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -51.08 8.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -171.01 169.0 6.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.541 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -90.97 155.92 18.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.95 148.6 7.78 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -40.92 138.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 3.6 mt . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 1' ' ' LEU . . . 172.78 76.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.7 62.35 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.952 HG13 ' CE2' ' A' ' 53' ' ' PHE . 24.5 t -149.01 149.06 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.31 119.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.721 HG21 ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -94.78 156.34 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 59.9 t0 -103.82 115.08 29.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -129.39 8.0 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 55.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -177.68 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.847 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -40.82 154.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.713 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.07 141.13 70.77 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.994 0.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HD3' ' CD1' ' A' ' 11' ' ' TYR . 1.1 mtpp -82.55 132.59 35.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.45 -53.73 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.58 169.82 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 m -143.7 165.06 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.9 p -87.97 165.83 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -101.13 -24.63 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 136.07 3.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.59 120.04 32.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.8 mmt180 -143.53 101.22 5.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.605 ' O ' HD23 ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.08 135.1 18.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -132.42 166.57 21.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.98 108.48 7.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.55 166.63 54.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -68.63 -14.04 62.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 16.6 p-10 -90.21 19.22 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.39 43.92 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 27' ' ' ASP . 3.0 mmtt -118.77 114.24 22.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -86.02 121.52 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 96.8 m-85 -105.12 162.93 12.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.35 -36.82 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -142.81 164.36 30.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.797 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -63.32 -17.55 62.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -70.87 -53.97 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 108.257 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.32 -37.94 79.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.876 ' CE1' HG21 ' A' ' 41' ' ' VAL . 22.7 t80 -65.75 -54.55 25.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -58.05 -36.66 73.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.311 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -39.12 72.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -30.66 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.876 HG21 ' CE1' ' A' ' 37' ' ' PHE . 51.4 t -70.08 -59.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.847 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.14 -35.62 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.415 1.072 . . . . 0.0 109.248 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.86 -38.61 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -87.95 44.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.491 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER 55.21 19.42 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.504 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.38 30.46 77.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 44' ' ' SER . 74.1 p -89.93 -35.47 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 HG22 ' A' ' 41' ' ' VAL . 2.7 tm? -54.26 136.62 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.442 ' N ' HD13 ' A' ' 48' ' ' LEU . 68.0 p -120.41 153.36 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.743 HD23 ' CG1' ' A' ' 4' ' ' VAL . 26.0 tp -82.49 118.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -37.43 67.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.052 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -176.21 173.0 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.952 ' CE2' HG13 ' A' ' 4' ' ' VAL . 3.9 m-85 -100.36 159.98 14.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 78.93 150.95 5.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -39.9 137.07 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.74 . . . . 0.0 109.345 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.51 56.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.74 145.94 2.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.597 HG22 ' H ' ' A' ' 5' ' ' SER . 2.3 p -75.28 177.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.597 ' H ' HG22 ' A' ' 4' ' ' VAL . 1.2 t -165.31 148.34 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.701 HG23 HD22 ' A' ' 50' ' ' LEU . 59.1 t -99.02 143.44 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.418 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 26.2 t0 -85.12 119.47 25.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 56.3 m -131.97 13.23 4.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 108.269 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -90.87 33.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 0.0 109.944 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -142.19 14.31 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.347 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.757 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -101.37 165.44 14.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.757 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 148.99 93.04 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.024 0.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -104.05 148.45 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.41 73.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.89 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t 57.56 -176.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.284 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.4 p -115.24 147.29 40.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -13.16 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -72.56 153.92 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.67 107.19 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 23' ' ' LEU . 4.4 ptp180 -142.71 99.0 5.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.5 Cg_endo -74.98 118.37 5.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -120.56 145.47 47.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.0 t -103.43 129.5 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.14 -179.83 49.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -71.51 -25.33 62.2 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.539 0.787 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.599 ' OD1' HD13 ' A' ' 48' ' ' LEU . 17.1 p-10 -89.43 15.06 9.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.9 t30 62.78 41.89 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -109.23 121.76 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.3 m -90.36 124.86 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.526 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 78.8 m-85 -117.01 129.51 56.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -49.12 -44.0 32.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -143.32 170.29 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.658 ' HD2' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.81 -13.13 41.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 9.6 p -71.81 -51.43 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -64.3 -40.81 96.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CB ' HD11 ' A' ' 23' ' ' LEU . 14.3 t80 -63.82 -51.66 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 1.6 m -58.33 -41.53 84.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -55.7 -35.04 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -31.52 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.581 ' CG2' HD23 ' A' ' 48' ' ' LEU . 38.6 t -69.62 -59.93 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.61 -31.93 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.07 -42.68 89.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.752 ' HB3' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -88.95 46.84 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.72 24.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.09 29.62 75.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.752 HG22 ' HB3' ' A' ' 44' ' ' SER . 14.6 t -84.49 -25.96 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.779 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 ' OD1' ' A' ' 27' ' ' ASP . 3.7 tp -70.92 137.47 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -117.95 160.69 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.701 HD22 HG23 ' A' ' 6' ' ' VAL . 1.2 tp -87.88 121.11 29.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.05 -45.79 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -178.02 170.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.083 . . . . 0.0 109.61 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -90.92 164.57 13.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 74.94 147.44 1.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.568 1.168 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.86 142.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 0.725 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.64 131.84 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.25 165.35 4.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.633 HG22 ' H ' ' A' ' 5' ' ' SER . 9.9 p -57.94 174.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.633 ' H ' HG22 ' A' ' 4' ' ' VAL . 2.4 t -148.55 130.67 15.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 23.5 t -93.87 157.06 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -98.47 132.99 43.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 42' ' ' VAL . 48.7 t -147.17 20.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 t -91.65 22.42 4.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE2' ' CD ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -138.21 13.75 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.901 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -97.59 158.09 33.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.757 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 142.59 75.22 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.976 0.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' CD ' ' OE2' ' A' ' 10' ' ' GLU . 1.7 mtpp -82.87 148.45 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.236 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -45.84 73.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 138.18 53.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.44 179.9 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 p -88.82 160.01 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.59 -22.12 11.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -62.38 157.77 19.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.27 109.31 20.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.8 mmt180 -144.44 96.83 5.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.5 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.95 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -112.0 166.29 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.3 t -123.47 112.09 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.369 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 172.92 46.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -70.98 -22.46 62.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.894 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.8 p-10 -92.7 17.62 10.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.456 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 61.7 39.38 14.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -104.78 117.34 33.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.8 m -84.08 116.59 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' HD12 ' A' ' 23' ' ' LEU . 60.2 m-85 -109.85 130.62 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -53.76 -35.93 53.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' C ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -154.89 173.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.48 -14.91 55.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.8 t -71.08 -54.99 9.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -40.91 98.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.624 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.7 t80 -61.92 -59.33 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.732 ' SG ' ' CD1' ' A' ' 11' ' ' TYR . 43.8 t -56.16 -38.07 70.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.586 1.179 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -55.7 -37.84 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.65 -31.09 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.677 HG12 ' HA2' ' A' ' 46' ' ' GLY . 87.0 t -70.23 -59.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.03 -35.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.96 -24.73 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.57 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.1 m -99.88 41.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.16 17.34 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.677 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.9 30.47 77.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' ' 44' ' ' SER . 7.9 t -88.31 -35.15 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.894 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -61.9 128.72 37.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 p -112.93 154.08 26.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -80.08 120.32 24.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.584 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -73.02 -51.12 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.456 ' O ' HD11 ' A' ' 50' ' ' LEU . 15.7 p80 -174.43 167.66 3.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.62 ' HE2' HG21 ' A' ' 4' ' ' VAL . 15.9 m-85 -85.43 161.58 19.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.95 140.45 4.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -48.21 131.87 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.7 pp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.66 104.48 13.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.399 1.062 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.15 60.81 2.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.587 HG22 ' H ' ' A' ' 5' ' ' SER . 2.4 p -78.85 177.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.587 ' H ' HG22 ' A' ' 4' ' ' VAL . 6.2 p -179.18 127.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.983 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 m -102.33 131.5 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -63.69 124.66 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.8 m -154.79 24.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 108.357 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.4 p -103.12 15.32 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -119.03 -30.72 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -43.36 166.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 131.28 23.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -82.54 148.85 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -116.83 71.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.11 -87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.6 m 66.85 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -109.92 169.2 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 -19.65 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.3 139.29 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.22 124.05 50.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 1.3 mmt180 -145.72 97.94 4.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.05 127.18 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.942 HD13 ' CD1' ' A' ' 50' ' ' LEU . 1.1 pp -138.79 179.28 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.5 t -135.84 138.3 42.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 108.327 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.64 175.73 37.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -71.82 -16.23 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 0.714 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.62 11.12 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.1 t30 63.04 41.49 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 120.06 35.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 16.2 m -86.21 132.35 34.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 82.1 m-85 -115.7 164.16 14.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -84.51 -37.76 10.43 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -146.65 164.53 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.628 0.84 . . . . 0.0 109.33 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -64.7 -17.9 64.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.498 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -70.15 -54.1 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -57.84 -45.21 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . 20.2 t80 -62.36 -46.46 88.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.68 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.1 m -56.67 -48.47 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -30.67 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -77.25 -28.95 53.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.532 ' CG2' HD23 ' A' ' 48' ' ' LEU . 25.8 t -68.84 -56.96 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.25 -34.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 -23.35 49.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.49 33.82 1.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.67 14.51 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 65.64 30.9 78.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.9 -13.28 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 110.405 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.532 HD23 ' CG2' ' A' ' 41' ' ' VAL . 4.2 tp -72.9 127.71 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 p -113.37 154.74 26.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.942 ' CD1' HD13 ' A' ' 23' ' ' LEU . 14.4 tp -76.76 120.96 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -46.89 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -175.67 -176.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE1' HD21 ' A' ' 50' ' ' LEU . 6.8 m-85 -103.8 162.04 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 73.72 155.99 3.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.93 140.4 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.06 173.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.757 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -176.13 57.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.757 HG12 ' O ' ' A' ' 3' ' ' ALA . 7.1 p 51.13 176.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.682 ' H ' HG22 ' A' ' 4' ' ' VAL . 26.5 p -154.86 123.98 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 1.125 HG23 HD22 ' A' ' 50' ' ' LEU . 74.1 t -95.81 151.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' OE2' ' A' ' 10' ' ' GLU . 59.6 t0 -89.17 120.37 30.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 55.7 m -155.54 47.92 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 108.332 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 m -120.62 46.43 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' HG2' ' CE ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -166.71 30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.763 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.45 163.32 17.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.763 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 145.08 82.95 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.014 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 9.9 mttp -86.21 148.73 25.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.08 -40.07 96.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.84 172.96 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 17' ' ' THR . 9.4 t -132.57 162.87 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 108.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.437 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 40.2 p -84.07 150.53 25.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.487 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.771 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -102.42 -7.2 22.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' N ' HD13 ' A' ' 18' ' ' LEU . 12.7 mp0 -66.08 145.99 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.85 99.14 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -131.85 95.63 22.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.05 122.08 6.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CG ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -131.64 155.21 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.7 t -113.64 133.45 55.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.17 -178.7 44.4 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -75.96 -24.26 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.422 ' OD1' HD13 ' A' ' 48' ' ' LEU . 18.0 p-10 -85.8 9.18 17.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.7 t30 68.13 43.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -112.38 114.17 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 13.5 m -89.3 108.64 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 67.5 m-85 -96.88 161.1 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -80.55 -34.82 27.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -150.53 166.46 30.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -66.3 -13.25 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -69.39 -52.02 31.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 108.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.513 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -66.19 -42.81 88.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CG ' HD11 ' A' ' 23' ' ' LEU . 7.1 t80 -61.2 -44.47 97.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.684 ' O ' HG22 ' A' ' 42' ' ' VAL . 6.4 m -56.85 -49.72 74.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.066 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.86 -32.37 65.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.07 -34.98 64.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.448 ' HA ' HD23 ' A' ' 48' ' ' LEU . 37.2 t -62.22 -59.06 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.4 -34.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -30.01 69.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -83.95 7.49 18.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t-20 80.59 -2.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.15 30.67 7.29 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -105.14 -30.45 9.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -63.18 132.82 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -121.16 155.82 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.125 HD22 HG23 ' A' ' 6' ' ' VAL . 3.4 tp -78.24 124.06 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -51.8 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -170.59 176.57 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.5 ' HE2' HG21 ' A' ' 4' ' ' VAL . 1.3 m-85 -92.23 165.87 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 71.36 148.01 0.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' CYS . 1.1 tmtp? -45.62 139.94 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.217 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.91 57.95 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.94 55.65 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 5' ' ' SER . 1.4 p -90.72 177.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.547 ' H ' HG22 ' A' ' 4' ' ' VAL . 27.0 p -163.74 139.37 6.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.044 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.436 HG13 HD22 ' A' ' 50' ' ' LEU . 27.7 m -102.93 154.65 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -78.41 111.52 14.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.1 10.41 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 108.344 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -90.86 76.71 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.951 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.86 -37.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.736 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER -44.02 169.3 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.736 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 142.25 74.18 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 0.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 3.4 mtmt -102.5 148.83 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -91.54 68.51 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 171.58 170.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -156.16 175.83 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 108.301 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -107.18 145.54 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.23 -28.03 27.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.07 153.34 42.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.63 123.14 46.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -142.41 95.94 6.46 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.04 132.15 15.04 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.61 HD12 HD13 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -137.12 167.1 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -127.14 127.6 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 108.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.12 175.89 48.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -70.79 -14.68 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' CG ' HD13 ' A' ' 48' ' ' LEU . 1.2 p30 -90.21 -0.31 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.486 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 78.57 10.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 111.14 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.663 HG21 ' HD2' ' A' ' 55' ' ' LYS . 26.0 m -84.19 129.87 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.502 ' OH ' ' HB1' ' A' ' 40' ' ' ALA . 99.4 m-85 -113.59 165.63 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -90.57 -37.25 6.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 83.0 m-20 -141.74 160.23 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 109.395 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -64.82 -14.37 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.2 p -70.72 -50.77 32.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.8 OUTLIER -64.69 -42.31 95.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.666 ' CE1' HG21 ' A' ' 41' ' ' VAL . 2.9 t80 -64.06 -44.17 93.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.85 ' O ' HG22 ' A' ' 42' ' ' VAL . 6.1 m -56.53 -48.8 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 108.231 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 12.3 m-20 -58.55 -32.17 68.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.502 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -73.47 -34.29 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.666 HG21 ' CE1' ' A' ' 37' ' ' PHE . 41.0 t -67.93 -58.02 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -55.57 -41.33 63.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.1 -39.85 72.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.732 ' HB3' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER -91.57 44.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.16 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.43 30.56 76.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.732 HG22 ' HB3' ' A' ' 44' ' ' SER . 11.4 t -89.63 -25.03 21.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.484 HD13 ' CG ' ' A' ' 27' ' ' ASP . 7.9 tp -70.84 132.8 45.82 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -118.85 152.23 36.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 23' ' ' LEU . 32.1 tp -74.83 121.88 22.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -54.44 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -166.25 178.4 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -99.58 160.8 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.15 152.42 3.27 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.663 ' HD2' HG21 ' A' ' 30' ' ' THR . 0.7 OUTLIER -40.28 137.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.061 . . . . 0.0 108.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.39 163.1 23.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . -137.75 167.76 21.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.638 ' CG1' HD23 ' A' ' 50' ' ' LEU . 85.8 t 60.4 147.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.5 90.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 94.5 t -97.41 149.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -88.86 126.6 35.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.6 m -150.8 64.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.256 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.92 43.49 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.95 26.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.74 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -101.58 165.61 13.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.941 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.74 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 144.21 80.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 148.86 23.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.68 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -77.54 55.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 162.97 134.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 t -119.03 170.2 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 108.319 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.7 p -91.92 146.26 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -29.14 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.69 140.74 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.35 124.31 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -147.48 99.14 3.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.06 132.25 15.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.394 1.734 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HB2' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -137.4 162.46 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 t -115.59 145.14 42.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.12 175.68 24.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -74.36 -21.13 59.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.957 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' OD1' HD13 ' A' ' 48' ' ' LEU . 16.2 p-10 -89.52 11.63 18.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.21 39.94 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.4 117.94 33.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.42 HG23 ' HA ' ' A' ' 55' ' ' LYS . 4.1 m -92.95 122.37 35.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 83.5 m-85 -111.5 166.11 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.33 -33.56 8.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -140.14 158.49 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 8.4 tttt -62.75 -18.46 62.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 18.7 p -71.62 -51.12 24.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.8 m-80 -58.45 -42.5 87.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.678 ' CE1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 -67.86 -44.01 78.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.828 ' O ' HG22 ' A' ' 42' ' ' VAL . 4.1 m -56.89 -49.86 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 108.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.78 -30.42 63.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.7 -32.1 57.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.678 HG21 ' CE1' ' A' ' 37' ' ' PHE . 45.9 t -68.51 -56.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.04 -37.88 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -34.81 79.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -90.14 38.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 59.69 16.05 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 109.244 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.602 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.52 30.32 77.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 44' ' ' SER . 31.0 p -95.72 -24.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD13 ' OD1' ' A' ' 27' ' ' ASP . 7.9 tp -68.72 133.61 48.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.1 p -118.96 150.9 39.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.379 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.665 HD12 ' CE2' ' A' ' 37' ' ' PHE . 5.7 tp -68.49 122.71 19.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -51.97 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -170.2 172.7 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 4' ' ' VAL . 48.5 m-85 -88.63 156.14 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 80.01 137.28 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HA ' HG23 ' A' ' 30' ' ' THR . 29.6 pttt -40.48 138.65 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LYS . 2.2 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.31 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.92 164.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.97 -177.92 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.612 HG13 ' N ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 50.62 179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.612 ' N ' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER 176.8 138.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.76 125.98 46.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -62.65 124.97 22.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 m -134.02 11.39 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.6 p -88.31 18.96 4.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 11' ' ' TYR . 2.6 pm0 -115.84 -31.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.735 ' CB ' HG21 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -50.96 169.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.719 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.95 148.6 92.15 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.03 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 8.8 mtpp -106.77 148.78 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -14.36 13.26 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.7 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 t 63.75 166.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 46.9 p -113.57 145.99 40.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.78 -30.5 22.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 3.9 mm-40 -49.76 166.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -115.27 118.52 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -137.49 98.79 9.83 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.91 136.79 21.07 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD23 ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -150.16 144.91 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 t -103.85 134.3 47.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -179.34 48.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -74.22 -28.18 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.3 17.6 7.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 67.04 37.28 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -99.75 96.65 7.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -86.4 110.62 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 27.6 m-85 -104.14 165.6 10.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.31 -36.88 6.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.437 1.085 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -128.14 152.94 47.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.99 -21.59 62.29 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.5 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 13.1 p -71.24 -50.77 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.9 m-80 -59.49 -42.89 93.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.832 ' O ' HG23 ' A' ' 41' ' ' VAL . 28.8 t80 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.592 1.183 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.1 -36.73 78.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.04 -40.26 76.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -79.65 -31.12 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 37' ' ' PHE . 86.4 t -69.11 -59.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.735 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -55.12 -28.66 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' CD ' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -80.63 -26.49 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.706 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.2 m -90.68 36.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.7 t30 57.98 17.36 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.34 29.5 74.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.594 1.184 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.706 HG22 ' HB3' ' A' ' 44' ' ' SER . 9.7 t -83.51 -34.13 25.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 0.759 . . . . 0.0 110.391 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD23 HG22 ' A' ' 41' ' ' VAL . 15.2 tp -69.45 127.88 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.3 p -113.98 155.63 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.3 tm? -82.97 118.67 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -45.56 23.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -178.63 170.7 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.483 ' CE1' HD23 ' A' ' 23' ' ' LEU . 26.3 m-85 -93.66 160.14 14.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 86.29 142.44 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.6 OUTLIER -39.99 134.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 34' ' ' LYS . 16.3 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 10' ' ' GLU . 63.5 t0 -63.08 128.94 38.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' A' ' 6' ' ' VAL . 84.3 m -155.07 25.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.284 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 p -102.28 39.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -153.67 22.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.766 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -102.95 166.16 12.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 146.88 87.87 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.021 0.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -100.4 148.97 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -95.13 54.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . -179.82 177.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.76 -175.44 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -115.05 146.66 41.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -23.47 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 160.32 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.13 120.98 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 4.3 mmp_? -143.31 99.97 5.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 132.65 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -126.68 166.6 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.7 t -135.96 111.74 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.24 172.42 47.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -68.85 -21.76 64.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.814 ' OD1' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -93.03 18.2 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 65.0 27.54 12.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 105.44 17.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.0 m -83.98 127.58 33.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.463 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HB2' HD12 ' A' ' 23' ' ' LEU . 95.3 m-85 -118.11 164.29 15.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.96 -36.48 6.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.509 ' C ' HD11 ' A' ' 23' ' ' LEU . 98.0 m-20 -145.44 160.09 42.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 0.754 . . . . 0.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.42 -13.6 41.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.466 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.4 p -69.86 -50.55 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -66.24 -42.72 88.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CE2' HD12 ' A' ' 50' ' ' LEU . 3.1 t80 -61.61 -45.73 92.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.827 ' O ' HG22 ' A' ' 42' ' ' VAL . 14.1 m -56.52 -48.96 76.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.62 -32.18 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 37' ' ' PHE . . . -72.45 -37.98 68.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.439 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 14.6 t -63.27 -59.65 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -55.28 -39.38 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.22 -31.21 72.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -93.42 35.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.594 ' HB3' HG23 ' A' ' 47' ' ' THR . 62.3 t30 57.0 17.7 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 70.29 30.95 68.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 45' ' ' ASN . 63.0 p -98.42 -24.62 15.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.814 HD13 ' OD1' ' A' ' 27' ' ' ASP . 4.0 tp -64.23 134.15 54.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -120.34 152.12 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.803 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -82.74 118.53 23.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -45.68 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -169.84 179.15 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -98.0 173.2 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 59.98 155.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.49 143.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 8' ' ' CYS . 27.8 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 30.5 t0 -69.16 125.28 26.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 6' ' ' VAL . 39.3 m -151.48 26.5 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -100.03 42.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 27.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -108.86 164.07 15.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.762 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 148.41 91.55 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.971 0.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 7.8 ptmt -123.09 148.5 45.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.62 -58.05 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.533 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -51.32 149.83 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -142.28 168.83 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -89.42 148.27 23.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 mt -91.96 -26.42 18.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.81 164.45 21.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.25 115.55 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -134.79 99.57 12.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.523 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -75.02 131.38 14.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 111.045 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -123.08 165.63 16.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -136.16 117.28 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.97 177.21 53.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -74.48 -30.62 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.69 17.43 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 71.03 39.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -93.69 102.86 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 m -88.07 126.65 35.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 29' ' ' LYS . 92.7 m-85 -121.34 163.39 18.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -91.48 -37.61 6.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 76.5 m-20 -140.31 160.34 40.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -16.25 56.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.1 p -70.14 -51.05 34.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.25 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.9 OUTLIER -62.41 -41.88 99.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 t80 -63.67 -46.32 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.862 ' O ' HG22 ' A' ' 42' ' ' VAL . 18.5 m -58.96 -49.69 76.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.242 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -33.02 65.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.12 63.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 37' ' ' PHE . 72.1 t -66.53 -59.27 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.34 -39.3 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.87 -28.11 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.22 16.84 9.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 72.07 6.42 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.71 20.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.1 p -99.11 -27.49 13.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.4 tm? -65.99 129.95 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -120.18 153.48 36.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.611 HD12 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -84.66 121.95 28.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.379 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -41.82 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -171.09 -179.38 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.86 164.71 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.85 146.91 1.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.8 130.09 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 10' ' ' GLU . 51.1 t0 -66.79 125.36 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -155.26 25.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.97 27.02 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 2.8 pm0 -143.86 15.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.727 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -92.95 159.38 35.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.727 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 143.94 79.37 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.035 0.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 10' ' ' GLU . 6.5 mtpp -89.03 148.48 23.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -51.9 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.16 -176.06 2.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.72 176.77 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.457 ' C ' HD22 ' A' ' 18' ' ' LEU . 9.9 p -85.77 167.93 14.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.457 HD22 ' C ' ' A' ' 17' ' ' THR . 3.2 mm? -106.1 -26.39 11.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.9 pm0 -58.53 152.32 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.2 127.17 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -147.98 111.24 3.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.51 ' C ' HD12 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.0 133.48 16.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.877 HD23 HD13 ' A' ' 50' ' ' LEU . 9.8 mp -122.24 166.1 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.5 t -136.0 116.64 13.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.424 1.077 . . . . 0.0 108.311 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 172.17 54.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -68.67 -25.43 64.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.706 ' OD1' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.78 18.0 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 65.54 28.02 11.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.61 1.194 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -88.54 105.73 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -84.38 135.73 34.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.66 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 86.3 m-85 -124.82 166.63 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.93 -30.66 10.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 6.2 t-20 -153.0 158.73 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -17.48 59.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.459 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -69.94 -46.07 66.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.86 -35.41 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 50' ' ' LEU . 1.9 t80 -70.17 -40.12 74.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.797 ' O ' HG22 ' A' ' 42' ' ' VAL . 62.2 m -61.21 -49.08 78.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.1 -32.99 64.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -74.73 -31.23 61.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 37' ' ' PHE . 55.8 t -68.94 -57.81 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.27 -38.05 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -29.61 68.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -89.28 15.84 8.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 71.14 7.82 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.441 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 84.15 30.58 27.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 44' ' ' SER . 73.8 p -96.11 -33.32 12.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.363 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.706 HD13 ' OD1' ' A' ' 27' ' ' ASP . 4.5 tp -64.32 131.53 47.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -119.86 154.51 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.877 HD13 HD23 ' A' ' 23' ' ' LEU . 5.9 tp -83.31 122.38 28.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -39.48 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.616 1.197 . . . . 0.0 109.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -175.23 179.7 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.536 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 50' ' ' LEU . 5.7 m-85 -101.05 169.74 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 68.3 153.97 0.55 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 141.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 6' ' ' VAL . 27.0 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.03 134.22 51.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.1 m -121.71 14.43 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 108.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 m -78.22 52.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.758 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -113.18 161.28 27.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.758 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.92 147.89 90.41 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.035 -0.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 146.04 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 4.8 p-10 -88.29 48.21 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 175.77 174.04 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.8 t -141.21 169.98 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.331 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -94.29 146.13 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.32 -24.47 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.66 156.26 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.238 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.93 106.32 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.662 ' O ' HD23 ' A' ' 23' ' ' LEU . 3.0 mmp_? -138.63 97.17 9.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.05 98.21 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.686 HD11 ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -100.61 154.72 18.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -113.17 127.09 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.56 179.68 52.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -72.59 -22.39 60.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' OD1' HD21 ' A' ' 48' ' ' LEU . 15.8 p-10 -90.01 16.65 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t30 59.77 41.74 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -110.65 119.34 38.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 54.6 m -88.15 120.51 29.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 73.0 m-85 -112.75 133.11 54.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -50.5 -44.21 45.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' C ' HD21 ' A' ' 23' ' ' LEU . 5.1 m-20 -144.74 -179.09 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 0.709 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 p -71.34 -51.23 25.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 108.331 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.44 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -66.02 -40.89 91.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.5 t80 -63.41 -48.29 78.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 m -60.68 -39.49 88.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -56.1 -37.95 70.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.4 -28.55 34.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 37' ' ' PHE . 95.6 t -69.04 -60.34 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.238 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.716 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.34 -27.21 32.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -39.78 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -85.67 46.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.95 20.47 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.16 30.46 77.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.414 1.071 . . . . 0.0 111.019 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 44' ' ' SER . 69.7 p -95.16 -29.61 14.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 49' ' ' THR . 2.1 tm? -60.03 135.75 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.653 ' N ' HD13 ' A' ' 48' ' ' LEU . 28.9 p -120.07 151.81 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.627 HD23 HD12 ' A' ' 23' ' ' LEU . 2.2 tm? -73.63 123.69 24.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -48.08 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -176.83 176.38 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.554 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -98.79 159.87 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.79 151.29 11.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 143.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.353 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.593 HG23 HD22 ' A' ' 50' ' ' LEU . 98.3 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 35.9 t0 -80.6 114.36 19.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.1 m -149.51 35.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -104.14 46.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.4 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.721 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -111.88 158.69 36.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.721 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.93 148.83 92.72 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.019 -0.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.586 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -113.6 145.5 41.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 7.5 p-10 -93.02 64.05 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 179.66 160.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 15' ' ' ALA . 15.7 m -164.33 177.11 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 p -114.37 165.16 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.8 -28.0 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -49.51 149.16 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.72 124.07 51.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.1 mpt_? -143.74 95.69 5.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 139.96 24.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -145.62 173.37 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.3 t -131.53 135.94 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.89 176.84 42.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 t -70.44 -27.03 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.508 ' OD1' HD21 ' A' ' 48' ' ' LEU . 8.7 p-10 -87.74 12.52 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 68.1 41.42 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 110.66 22.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 42.9 m -85.87 121.17 28.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.376 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 93.4 m-85 -112.98 164.38 13.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.24 -34.09 8.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 3.3 m-20 -147.06 164.92 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -17.71 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.463 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -68.59 -50.02 54.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.292 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.56 -44.37 94.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG2' ' A' ' 41' ' ' VAL . 5.9 t80 -62.28 -42.14 99.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.8 ' O ' HG22 ' A' ' 42' ' ' VAL . 22.2 m -58.38 -49.42 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.28 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.4 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 2.1 t-20 -58.48 -29.27 66.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -77.26 -32.42 55.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.633 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 51.8 t -68.53 -55.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -55.13 -40.74 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -41.08 80.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 110.239 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -88.86 41.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.353 1.033 . . . . 0.0 110.033 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 48.71 24.18 0.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.45 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 67.01 30.59 76.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 44' ' ' SER . 7.4 t -97.35 -12.39 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 tm? -82.22 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.42 ' N ' HD13 ' A' ' 48' ' ' LEU . 76.5 p -114.01 160.54 18.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.593 HD22 HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -84.62 120.82 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.89 -52.05 11.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -167.41 174.52 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.636 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.81 159.58 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 77.0 153.74 5.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -41.34 139.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.277 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 34' ' ' LYS . 4.3 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -78.52 114.89 17.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -125.08 3.27 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -78.74 60.91 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.66 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.871 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -37.39 155.62 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.714 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 147.37 89.11 Favored 'Cis proline' 0 C--N 1.359 1.108 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.967 -0.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -98.03 148.2 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 20.5 t0 -96.22 46.59 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 174.95 165.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.4 m -155.03 -179.47 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.267 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 p -98.58 149.18 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -82.04 -24.48 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 21' ' ' ARG . 2.2 pm0 -68.52 160.0 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -110.98 120.53 42.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -133.95 104.13 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -74.97 135.49 19.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.817 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -131.58 168.66 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.79 119.03 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 108.23 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 173.08 54.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -69.66 -24.72 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' OD1' HD11 ' A' ' 48' ' ' LEU . 15.8 p-10 -90.36 16.13 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t30 64.58 36.66 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.84 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.9 m -84.81 117.57 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 37' ' ' PHE . 83.1 m-85 -108.78 165.14 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.59 -26.13 23.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.58 1.175 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -155.92 167.11 31.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 0.809 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.534 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -64.36 -16.74 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -70.62 -54.08 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -60.15 -47.92 83.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 41' ' ' VAL . 7.7 t80 -58.26 -55.26 37.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.6 m -57.0 -36.87 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -38.74 72.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HB3' ' OH ' ' A' ' 31' ' ' TYR . . . -80.79 -31.78 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 37' ' ' PHE . 69.7 t -69.82 -58.49 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.53 -34.74 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.3 -31.87 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 39.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.547 1.154 . . . . 0.0 110.064 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 t30 59.71 15.76 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.545 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.56 29.1 74.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -88.17 -34.15 17.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 0.745 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD11 ' OD1' ' A' ' 27' ' ' ASP . 37.9 tp -61.82 137.33 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -119.24 153.69 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 23' ' ' LEU . 7.6 tp -80.19 118.92 22.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -42.82 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -175.96 177.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 50' ' ' LEU . 7.3 m-85 -98.62 160.63 14.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.97 143.67 5.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -43.92 129.82 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.227 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.226 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.09 117.24 23.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 35.1 m -120.03 -1.95 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -72.15 60.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -164.88 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.706 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -38.22 159.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 0.0 110.99 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -74.99 145.82 84.97 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.0 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -82.87 148.91 27.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LYS . 2.4 t0 -38.54 -60.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.64 -177.4 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.8 t -108.77 165.89 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -99.54 167.12 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mp -88.6 -24.39 22.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.83 129.76 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.4 119.85 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.7 mmt180 -143.06 107.77 5.33 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -75.12 138.09 22.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -132.72 168.57 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.1 t -136.17 111.7 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.58 177.78 43.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -74.06 -23.19 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 0.806 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.46 18.17 6.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 63.07 30.71 16.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 108.34 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 16.3 m -84.43 125.53 32.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.562 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 94.9 m-85 -112.11 163.76 13.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.5 -34.79 7.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -148.15 165.17 31.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -16.97 63.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.452 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 15.7 p -70.73 -50.77 32.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.436 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 22.5 m-80 -64.52 -41.06 96.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.916 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.1 t80 -64.12 -46.64 83.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 1.6 m -64.63 -40.32 95.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 108.251 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -56.1 -36.55 68.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.22 -26.32 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 37' ' ' PHE . 75.7 t -70.17 -58.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -33.46 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.81 -29.03 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 47' ' ' THR . 21.0 p -91.35 28.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.82 14.49 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 76.13 30.36 57.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 44' ' ' SER . 69.2 p -93.53 -28.67 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 0.724 . . . . 0.0 110.361 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.643 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.4 tm? -62.94 119.32 9.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.617 ' N ' HD13 ' A' ' 48' ' ' LEU . 69.2 p -105.13 151.2 24.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.2 tt -86.74 118.78 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.14 -43.55 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -176.38 173.56 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.632 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -96.13 159.41 14.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 80.34 145.3 3.93 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -39.94 137.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.734 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.286 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 34' ' ' LYS . 79.2 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.402 ' OD1' ' OE2' ' A' ' 10' ' ' GLU . 50.1 t0 -66.22 119.26 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 18.9 m -155.94 35.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 p -101.66 41.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' OE2' ' OD1' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -161.0 27.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -105.95 159.95 27.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.12 149.58 93.87 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 40.5 pttt -118.79 148.07 43.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.73 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 164.74 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -170.31 176.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.5 p -98.22 164.1 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -25.59 13.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 132.87 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.13 124.44 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mmt180 -142.46 96.83 6.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.03 131.07 13.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.518 1.799 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.509 HD22 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -141.84 166.4 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -121.22 140.36 52.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 108.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.28 -179.61 41.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -74.7 -24.61 58.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.79 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.51 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.8 p-10 -89.46 15.19 9.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 64.71 40.26 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -108.5 108.55 19.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 21.1 m -84.6 125.82 32.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 96.5 m-85 -115.93 166.2 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -89.95 -37.81 6.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -141.51 160.09 40.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -63.86 -17.44 63.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 10.1 m -70.11 -51.84 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.892 ' CE2' HD22 ' A' ' 50' ' ' LEU . 1.7 t80 -69.81 -41.21 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.86 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.2 m -62.75 -50.04 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 108.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -56.27 -28.79 59.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -79.74 -35.98 37.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 37' ' ' PHE . 59.5 t -63.29 -55.68 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.58 -39.45 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.71 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -89.96 37.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.87 16.62 4.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.667 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 70.39 30.55 69.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 44' ' ' SER . 69.1 p -93.47 -34.81 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 0.814 . . . . 0.0 110.363 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.51 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -55.44 129.72 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 47' ' ' THR . 34.0 p -120.05 151.59 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.892 HD22 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -73.1 121.39 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.555 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -78.15 -48.92 14.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.422 ' O ' HD11 ' A' ' 50' ' ' LEU . 28.5 p80 -174.38 166.66 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.675 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -82.26 167.7 18.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.611 1.195 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 66.05 155.73 0.33 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.06 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 152.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.45 HG23 ' SG ' ' A' ' 8' ' ' CYS . 18.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 t0 -76.81 124.29 27.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' SG ' HG23 ' A' ' 6' ' ' VAL . 19.5 m -155.64 26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.21 33.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -149.78 19.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.761 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -96.26 160.46 29.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.761 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 150.04 94.75 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.01 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HD2' ' CG ' ' A' ' 10' ' ' GLU . 27.9 mtpp -99.65 148.65 24.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 26.8 m-20 -85.39 51.45 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 175.95 159.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -132.01 172.63 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -96.36 146.44 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.21 -13.89 27.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.22 154.68 40.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.84 103.44 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' GLY . 5.0 mmp_? -132.46 95.78 20.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.01 130.94 13.73 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -138.82 161.69 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -117.85 138.41 52.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 108.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.27 -178.87 42.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 t -72.8 -31.75 65.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.631 ' OD1' HD22 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -87.95 14.26 9.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 69.3 43.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 1.4 mttt -102.34 108.43 19.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 21.3 m -84.17 114.66 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.46 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 57.0 m-85 -105.48 163.85 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -87.74 -32.06 13.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -155.33 178.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -70.67 -16.87 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.473 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 13.1 p -70.68 -51.07 30.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.465 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -65.0 -41.79 95.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 7.7 t80 -61.98 -49.74 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.783 ' O ' HG22 ' A' ' 42' ' ' VAL . 26.0 m -56.26 -49.06 75.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.254 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.66 -32.03 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 31' ' ' TYR . . . -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' PHE . 53.2 t -68.56 -58.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.45 -38.39 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.76 -30.54 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -87.75 14.09 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 74.45 4.53 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.15 29.64 12.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.478 1.111 . . . . 0.0 111.084 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 p -101.59 -28.4 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.324 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.709 HD13 ' N ' ' A' ' 49' ' ' THR . 1.5 tm? -69.87 125.37 26.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.709 ' N ' HD13 ' A' ' 48' ' ' LEU . 70.4 p -117.68 158.03 25.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.16 . . . . 0.0 110.463 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.558 ' CD1' HD13 ' A' ' 23' ' ' LEU . 9.8 tt -81.78 119.75 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -44.88 19.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -173.03 177.23 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.624 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -99.03 162.1 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 80.14 145.39 3.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 141.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.576 HG11 ' CE1' ' A' ' 37' ' ' PHE . 10.6 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -108.94 126.04 52.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.1 m -135.82 12.87 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -79.21 65.96 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.93 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.928 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -38.48 159.08 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.972 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.93 146.81 87.7 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' ALA . 10.1 ptpt -101.67 148.04 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.29 44.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' O ' ' CD ' ' A' ' 13' ' ' LYS . . . -175.07 118.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.3 m -126.49 176.18 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -110.18 163.94 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.54 -23.02 23.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.14 161.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.04 121.5 43.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -143.7 98.91 5.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.641 ' O ' HD12 ' A' ' 23' ' ' LEU . 18.1 Cg_endo -75.08 131.46 14.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 22' ' ' PRO . 8.0 mp -122.63 165.92 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 t -135.57 108.55 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 108.254 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.99 173.23 48.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -72.51 -22.53 61.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.741 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.551 ' OD1' HD21 ' A' ' 48' ' ' LEU . 16.4 p-10 -86.26 8.46 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 70.63 35.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.4 mttt -99.91 111.11 23.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.9 m -87.01 115.96 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 83.5 m-85 -104.59 164.93 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.25 -33.53 8.71 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 23.2 m-20 -145.58 166.79 24.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HD2' HG23 ' A' ' 6' ' ' VAL . 4.7 tttt -65.56 -18.19 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.63 -48.12 56.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.264 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -62.95 -45.96 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.576 ' CE1' HG11 ' A' ' 6' ' ' VAL . 31.7 t80 -61.16 -50.76 71.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.7 m -59.86 -40.05 87.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -57.38 -34.65 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.34 -30.94 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.514 HG22 ' HB3' ' A' ' 48' ' ' LEU . 6.3 t -69.27 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.928 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -55.95 -26.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -70.82 -39.15 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -90.15 41.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 61.36 15.24 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 69.71 30.56 70.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 44' ' ' SER . 72.4 p -90.48 -34.05 15.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 0.804 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 ' OD1' ' A' ' 27' ' ' ASP . 2.2 tm? -54.87 133.09 47.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.452 ' N ' HD13 ' A' ' 48' ' ' LEU . 56.0 p -112.73 154.68 25.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 9.1 tt -84.34 120.16 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -45.92 52.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.447 ' N ' HD23 ' A' ' 50' ' ' LEU . 19.7 p80 -174.88 172.11 2.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.587 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -95.61 158.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.68 147.07 6.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -43.02 130.54 4.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 0.734 . . . . 0.0 109.229 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.463 HG23 ' SG ' ' A' ' 8' ' ' CYS . 18.6 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -64.4 124.97 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' HG23 ' A' ' 6' ' ' VAL . 59.7 m -155.23 33.01 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 108.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.44 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -107.49 43.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.94 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' OE1' ' N ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -161.96 27.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.739 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.31 163.99 15.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.953 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.739 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 140.08 65.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.944 -2.524 . . . . 0.0 111.079 -0.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -90.42 148.6 22.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.21 44.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.32 -178.71 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -145.73 -174.48 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 35' ' ' CYS . 25.4 p -114.06 148.73 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.478 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -91.06 -26.47 19.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -64.23 153.75 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CE1' ' HD3' ' A' ' 22' ' ' PRO . 1.0 OUTLIER -112.29 116.77 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.862 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.54 99.89 4.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.09 121.17 6.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.862 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -125.79 163.41 22.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -122.45 129.12 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -178.7 48.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -78.0 -21.87 50.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -84.98 8.02 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t30 68.03 42.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -113.88 114.89 26.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.5 m -87.32 108.45 18.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.573 ' OH ' ' HB1' ' A' ' 40' ' ' ALA . 95.6 m-85 -95.34 162.86 13.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.58 -39.28 5.96 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -139.66 161.62 37.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -66.14 -14.36 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.513 ' HB3' HG23 ' A' ' 17' ' ' THR . 14.8 p -70.21 -51.06 33.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -65.18 -42.15 93.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.661 ' CE2' HD22 ' A' ' 50' ' ' LEU . 3.3 t80 -62.52 -46.38 88.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 111.029 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.734 ' O ' HG22 ' A' ' 42' ' ' VAL . 17.1 m -56.81 -49.33 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -28.6 65.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.573 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -77.05 -30.93 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLY . 24.3 t -68.95 -59.46 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.734 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.76 -36.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.89 -32.38 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 41.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.94 18.38 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 65.68 30.73 77.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 49' ' ' THR . 3.3 t -98.23 -27.16 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 49' ' ' THR . 6.9 tt -58.11 126.94 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 47' ' ' THR . 68.8 p -116.19 151.66 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.67 HD13 ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -75.59 123.47 25.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.67 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.04 -49.68 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.489 ' O ' HD11 ' A' ' 50' ' ' LEU . 23.9 p80 -172.15 174.01 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.556 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -96.52 164.01 12.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.52 152.31 3.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 136.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' A' ' 34' ' ' LYS . 21.8 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -87.82 111.45 21.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -120.71 1.94 10.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 108.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.6 m -70.97 59.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -165.58 -40.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.904 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -38.18 158.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.743 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 139.35 61.26 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 3.5 ptmt -96.86 141.71 29.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -102.35 50.06 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.35 134.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -135.07 175.41 9.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -99.71 169.11 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.72 -27.4 14.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -60.3 157.42 13.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.229 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 0.9 OUTLIER -109.7 117.67 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 20' ' ' TYR . 2.4 mmp_? -129.71 95.78 28.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.219 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.08 137.81 22.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.53 HD13 HD12 ' A' ' 50' ' ' LEU . 1.6 pp -153.44 149.82 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.2 t -101.2 145.7 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 108.272 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.69 -179.4 33.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -76.38 -17.81 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 0.772 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.533 ' OD1' HD21 ' A' ' 48' ' ' LEU . 21.7 p-10 -94.06 2.8 55.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 9.4 t-20 78.07 37.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 tttm -108.89 112.82 25.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.8 m -88.24 109.03 19.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE1' ' HD3' ' A' ' 29' ' ' LYS . 94.3 m-85 -96.82 164.89 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.63 -32.55 9.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -144.39 169.33 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.612 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -69.59 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 1.8 m -71.26 -50.25 34.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.67 -45.85 90.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.824 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.4 t80 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 14.9 m -56.11 -35.74 67.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 108.349 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.426 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 1.1 m-80 -56.78 -39.75 74.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.67 -28.68 33.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 37' ' ' PHE . 57.8 t -69.49 -60.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.904 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.01 -32.93 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.42 -29.95 68.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -95.35 29.62 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.024 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 t30 66.01 12.66 8.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.629 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 79.75 29.98 45.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 44' ' ' SER . 48.9 p -84.17 -38.61 20.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD12 HG22 ' A' ' 41' ' ' VAL . 2.7 tm? -70.36 120.09 15.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.7 p -110.23 150.73 28.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -68.95 124.95 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -51.08 8.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -171.01 169.0 6.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.541 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -90.97 155.92 18.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.95 148.6 7.78 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -40.92 138.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.721 HG21 ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 59.9 t0 -103.82 115.08 29.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -129.39 8.0 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 55.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -177.68 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.847 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -40.82 154.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.713 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.07 141.13 70.77 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.994 0.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HD3' ' CD1' ' A' ' 11' ' ' TYR . 1.1 mtpp -82.55 132.59 35.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.45 -53.73 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.58 169.82 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 m -143.7 165.06 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.9 p -87.97 165.83 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -101.13 -24.63 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 136.07 3.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.59 120.04 32.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.8 mmt180 -143.53 101.22 5.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.605 ' O ' HD23 ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.08 135.1 18.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -132.42 166.57 21.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.98 108.48 7.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.55 166.63 54.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -68.63 -14.04 62.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 16.6 p-10 -90.21 19.22 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.39 43.92 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 27' ' ' ASP . 3.0 mmtt -118.77 114.24 22.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -86.02 121.52 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 96.8 m-85 -105.12 162.93 12.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.35 -36.82 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -142.81 164.36 30.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.797 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -63.32 -17.55 62.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.446 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -70.87 -53.97 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 108.257 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.32 -37.94 79.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.876 ' CE1' HG21 ' A' ' 41' ' ' VAL . 22.7 t80 -65.75 -54.55 25.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -58.05 -36.66 73.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.311 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -39.12 72.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -30.66 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.876 HG21 ' CE1' ' A' ' 37' ' ' PHE . 51.4 t -70.08 -59.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.847 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.14 -35.62 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.415 1.072 . . . . 0.0 109.248 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.86 -38.61 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -87.95 44.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.491 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER 55.21 19.42 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.504 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.38 30.46 77.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 44' ' ' SER . 74.1 p -89.93 -35.47 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 HG22 ' A' ' 41' ' ' VAL . 2.7 tm? -54.26 136.62 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.442 ' N ' HD13 ' A' ' 48' ' ' LEU . 68.0 p -120.41 153.36 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 26.0 tp -82.49 118.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -37.43 67.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.052 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -176.21 173.0 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE1' HD21 ' A' ' 50' ' ' LEU . 3.9 m-85 -100.36 159.98 14.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 78.93 150.95 5.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -39.9 137.07 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.74 . . . . 0.0 109.345 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.701 HG23 HD22 ' A' ' 50' ' ' LEU . 59.1 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.418 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 26.2 t0 -85.12 119.47 25.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 56.3 m -131.97 13.23 4.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 108.269 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -90.87 33.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 0.0 109.944 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -142.19 14.31 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.347 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.757 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -101.37 165.44 14.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.757 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 148.99 93.04 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.024 0.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -104.05 148.45 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.41 73.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.89 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t 57.56 -176.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.284 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.4 p -115.24 147.29 40.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -13.16 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -72.56 153.92 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.67 107.19 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 23' ' ' LEU . 4.4 ptp180 -142.71 99.0 5.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.5 Cg_endo -74.98 118.37 5.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -120.56 145.47 47.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.0 t -103.43 129.5 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.14 -179.83 49.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -71.51 -25.33 62.2 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.539 0.787 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.599 ' OD1' HD13 ' A' ' 48' ' ' LEU . 17.1 p-10 -89.43 15.06 9.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.9 t30 62.78 41.89 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -109.23 121.76 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.3 m -90.36 124.86 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.526 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 78.8 m-85 -117.01 129.51 56.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -49.12 -44.0 32.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -143.32 170.29 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.658 ' HD2' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.81 -13.13 41.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 9.6 p -71.81 -51.43 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -64.3 -40.81 96.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CB ' HD11 ' A' ' 23' ' ' LEU . 14.3 t80 -63.82 -51.66 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 1.6 m -58.33 -41.53 84.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -55.7 -35.04 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -31.52 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.581 ' CG2' HD23 ' A' ' 48' ' ' LEU . 38.6 t -69.62 -59.93 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.61 -31.93 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.07 -42.68 89.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.752 ' HB3' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -88.95 46.84 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.72 24.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.09 29.62 75.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.752 HG22 ' HB3' ' A' ' 44' ' ' SER . 14.6 t -84.49 -25.96 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.779 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 ' OD1' ' A' ' 27' ' ' ASP . 3.7 tp -70.92 137.47 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -117.95 160.69 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.701 HD22 HG23 ' A' ' 6' ' ' VAL . 1.2 tp -87.88 121.11 29.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.05 -45.79 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -178.02 170.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.083 . . . . 0.0 109.61 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -90.92 164.57 13.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 74.94 147.44 1.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.568 1.168 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.86 142.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 0.725 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 23.5 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -98.47 132.99 43.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 42' ' ' VAL . 48.7 t -147.17 20.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 t -91.65 22.42 4.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE2' ' CD ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -138.21 13.75 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.901 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -97.59 158.09 33.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.757 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 142.59 75.22 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.976 0.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' CD ' ' OE2' ' A' ' 10' ' ' GLU . 1.7 mtpp -82.87 148.45 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.236 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -45.84 73.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 138.18 53.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.44 179.9 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 p -88.82 160.01 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.59 -22.12 11.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -62.38 157.77 19.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.27 109.31 20.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.8 mmt180 -144.44 96.83 5.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.5 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.95 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -112.0 166.29 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.3 t -123.47 112.09 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.369 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 172.92 46.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -70.98 -22.46 62.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.894 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.8 p-10 -92.7 17.62 10.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 61.7 39.38 14.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -104.78 117.34 33.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.8 m -84.08 116.59 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' HD12 ' A' ' 23' ' ' LEU . 60.2 m-85 -109.85 130.62 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -53.76 -35.93 53.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.489 ' C ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -154.89 173.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.48 -14.91 55.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.8 t -71.08 -54.99 9.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -40.91 98.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.624 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.7 t80 -61.92 -59.33 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.732 ' SG ' ' CD1' ' A' ' 11' ' ' TYR . 43.8 t -56.16 -38.07 70.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.586 1.179 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -55.7 -37.84 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.65 -31.09 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.677 HG12 ' HA2' ' A' ' 46' ' ' GLY . 87.0 t -70.23 -59.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.03 -35.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.96 -24.73 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.57 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.1 m -99.88 41.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.16 17.34 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.677 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.9 30.47 77.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' ' 44' ' ' SER . 7.9 t -88.31 -35.15 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.894 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -61.9 128.72 37.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 p -112.93 154.08 26.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -80.08 120.32 24.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.584 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -73.02 -51.12 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.456 ' O ' HD11 ' A' ' 50' ' ' LEU . 15.7 p80 -174.43 167.66 3.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.481 ' CD1' HD23 ' A' ' 23' ' ' LEU . 15.9 m-85 -85.43 161.58 19.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.95 140.45 4.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -48.21 131.87 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -63.69 124.66 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.8 m -154.79 24.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 108.357 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.4 p -103.12 15.32 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -119.03 -30.72 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -43.36 166.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 131.28 23.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -82.54 148.85 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -116.83 71.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.11 -87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.6 m 66.85 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -109.92 169.2 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 -19.65 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.3 139.29 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.22 124.05 50.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 1.3 mmt180 -145.72 97.94 4.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.05 127.18 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.942 HD13 ' CD1' ' A' ' 50' ' ' LEU . 1.1 pp -138.79 179.28 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.5 t -135.84 138.3 42.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 108.327 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.64 175.73 37.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -71.82 -16.23 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 0.714 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.62 11.12 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.1 t30 63.04 41.49 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 120.06 35.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 16.2 m -86.21 132.35 34.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 82.1 m-85 -115.7 164.16 14.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -84.51 -37.76 10.43 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -146.65 164.53 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.628 0.84 . . . . 0.0 109.33 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -64.7 -17.9 64.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.498 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -70.15 -54.1 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -57.84 -45.21 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . 20.2 t80 -62.36 -46.46 88.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.68 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.1 m -56.67 -48.47 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -30.67 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -77.25 -28.95 53.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.532 ' CG2' HD23 ' A' ' 48' ' ' LEU . 25.8 t -68.84 -56.96 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.25 -34.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 -23.35 49.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.49 33.82 1.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.67 14.51 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 65.64 30.9 78.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.9 -13.28 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 110.405 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.532 HD23 ' CG2' ' A' ' 41' ' ' VAL . 4.2 tp -72.9 127.71 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 p -113.37 154.74 26.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.942 ' CD1' HD13 ' A' ' 23' ' ' LEU . 14.4 tp -76.76 120.96 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -46.89 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -175.67 -176.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE1' HD21 ' A' ' 50' ' ' LEU . 6.8 m-85 -103.8 162.04 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 73.72 155.99 3.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.93 140.4 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 1.125 HG23 HD22 ' A' ' 50' ' ' LEU . 74.1 t . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' OE2' ' A' ' 10' ' ' GLU . 59.6 t0 -89.17 120.37 30.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 55.7 m -155.54 47.92 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 108.332 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 m -120.62 46.43 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' HG2' ' CE ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -166.71 30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.763 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.45 163.32 17.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.763 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 145.08 82.95 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.014 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 9.9 mttp -86.21 148.73 25.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.08 -40.07 96.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.84 172.96 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 17' ' ' THR . 9.4 t -132.57 162.87 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 108.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.437 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 40.2 p -84.07 150.53 25.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.487 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -102.42 -7.2 22.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' N ' HD13 ' A' ' 18' ' ' LEU . 12.7 mp0 -66.08 145.99 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.85 99.14 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.466 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -131.85 95.63 22.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.05 122.08 6.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CG ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -131.64 155.21 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.7 t -113.64 133.45 55.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.17 -178.7 44.4 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -75.96 -24.26 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.422 ' OD1' HD13 ' A' ' 48' ' ' LEU . 18.0 p-10 -85.8 9.18 17.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.7 t30 68.13 43.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -112.38 114.17 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 13.5 m -89.3 108.64 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 67.5 m-85 -96.88 161.1 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -80.55 -34.82 27.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -150.53 166.46 30.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -66.3 -13.25 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -69.39 -52.02 31.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 108.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.513 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -66.19 -42.81 88.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CG ' HD11 ' A' ' 23' ' ' LEU . 7.1 t80 -61.2 -44.47 97.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.684 ' O ' HG22 ' A' ' 42' ' ' VAL . 6.4 m -56.85 -49.72 74.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.066 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.86 -32.37 65.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.07 -34.98 64.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.448 ' HA ' HD23 ' A' ' 48' ' ' LEU . 37.2 t -62.22 -59.06 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.4 -34.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -30.01 69.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -83.95 7.49 18.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t-20 80.59 -2.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.15 30.67 7.29 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -105.14 -30.45 9.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -63.18 132.82 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -121.16 155.82 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.125 HD22 HG23 ' A' ' 6' ' ' VAL . 3.4 tp -78.24 124.06 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -51.8 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -170.59 176.57 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -92.23 165.87 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 71.36 148.01 0.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' CYS . 1.1 tmtp? -45.62 139.94 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.217 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.436 HG13 HD22 ' A' ' 50' ' ' LEU . 27.7 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -78.41 111.52 14.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.1 10.41 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 108.344 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -90.86 76.71 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.951 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.86 -37.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.736 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER -44.02 169.3 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.736 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 142.25 74.18 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 0.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 3.4 mtmt -102.5 148.83 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -91.54 68.51 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 171.58 170.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -156.16 175.83 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 108.301 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -107.18 145.54 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.23 -28.03 27.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.07 153.34 42.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.63 123.14 46.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -142.41 95.94 6.46 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.04 132.15 15.04 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.61 HD12 HD13 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -137.12 167.1 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -127.14 127.6 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 108.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.12 175.89 48.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -70.79 -14.68 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' CG ' HD13 ' A' ' 48' ' ' LEU . 1.2 p30 -90.21 -0.31 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.486 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 78.57 10.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 111.14 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.663 HG21 ' HD2' ' A' ' 55' ' ' LYS . 26.0 m -84.19 129.87 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.502 ' OH ' ' HB1' ' A' ' 40' ' ' ALA . 99.4 m-85 -113.59 165.63 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -90.57 -37.25 6.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 83.0 m-20 -141.74 160.23 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 109.395 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -64.82 -14.37 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.2 p -70.72 -50.77 32.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.8 OUTLIER -64.69 -42.31 95.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.666 ' CE1' HG21 ' A' ' 41' ' ' VAL . 2.9 t80 -64.06 -44.17 93.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.85 ' O ' HG22 ' A' ' 42' ' ' VAL . 6.1 m -56.53 -48.8 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 108.231 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.42 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 2.0 m120 -58.55 -32.17 68.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.502 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -73.47 -34.29 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.666 HG21 ' CE1' ' A' ' 37' ' ' PHE . 41.0 t -67.93 -58.02 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -55.57 -41.33 63.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.1 -39.85 72.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.732 ' HB3' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER -91.57 44.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.16 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.43 30.56 76.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.732 HG22 ' HB3' ' A' ' 44' ' ' SER . 11.4 t -89.63 -25.03 21.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.484 HD13 ' CG ' ' A' ' 27' ' ' ASP . 7.9 tp -70.84 132.8 45.82 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -118.85 152.23 36.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 23' ' ' LEU . 32.1 tp -74.83 121.88 22.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -54.44 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -166.25 178.4 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -99.58 160.8 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.15 152.42 3.27 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.663 ' HD2' HG21 ' A' ' 30' ' ' THR . 0.7 OUTLIER -40.28 137.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.061 . . . . 0.0 108.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 94.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -88.86 126.6 35.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.6 m -150.8 64.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.256 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.92 43.49 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.95 26.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.74 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -101.58 165.61 13.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.941 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.74 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 144.21 80.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 148.86 23.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.68 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -77.54 55.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 162.97 134.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 t -119.03 170.2 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 108.319 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.7 p -91.92 146.26 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -29.14 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.69 140.74 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.35 124.31 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -147.48 99.14 3.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.06 132.25 15.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.394 1.734 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HB2' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -137.4 162.46 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 t -115.59 145.14 42.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.12 175.68 24.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -74.36 -21.13 59.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.957 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' OD1' HD13 ' A' ' 48' ' ' LEU . 16.2 p-10 -89.52 11.63 18.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.21 39.94 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.4 117.94 33.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.42 HG23 ' HA ' ' A' ' 55' ' ' LYS . 4.1 m -92.95 122.37 35.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 83.5 m-85 -111.5 166.11 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.33 -33.56 8.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -140.14 158.49 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 8.4 tttt -62.75 -18.46 62.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 18.7 p -71.62 -51.12 24.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.8 m-80 -58.45 -42.5 87.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.678 ' CE1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 -67.86 -44.01 78.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.828 ' O ' HG22 ' A' ' 42' ' ' VAL . 4.1 m -56.89 -49.86 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 108.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.78 -30.42 63.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.7 -32.1 57.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.678 HG21 ' CE1' ' A' ' 37' ' ' PHE . 45.9 t -68.51 -56.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.04 -37.88 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -34.81 79.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -90.14 38.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 59.69 16.05 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 109.244 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.602 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.52 30.32 77.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 44' ' ' SER . 31.0 p -95.72 -24.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD13 ' OD1' ' A' ' 27' ' ' ASP . 7.9 tp -68.72 133.61 48.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.1 p -118.96 150.9 39.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.379 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.665 HD12 ' CE2' ' A' ' 37' ' ' PHE . 5.7 tp -68.49 122.71 19.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -51.97 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -170.2 172.7 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -88.63 156.14 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 80.01 137.28 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HA ' HG23 ' A' ' 30' ' ' THR . 29.6 pttt -40.48 138.65 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LYS . 2.2 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.31 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -62.65 124.97 22.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 m -134.02 11.39 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.6 p -88.31 18.96 4.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 11' ' ' TYR . 2.6 pm0 -115.84 -31.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.735 ' CB ' HG21 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -50.96 169.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.719 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.95 148.6 92.15 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.03 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 8.8 mtpp -106.77 148.78 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -14.36 13.26 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.7 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 t 63.75 166.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 46.9 p -113.57 145.99 40.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.78 -30.5 22.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 3.9 mm-40 -49.76 166.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -115.27 118.52 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -137.49 98.79 9.83 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.91 136.79 21.07 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.483 HD23 ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -150.16 144.91 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 t -103.85 134.3 47.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -179.34 48.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -74.22 -28.18 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.3 17.6 7.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 67.04 37.28 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -99.75 96.65 7.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -86.4 110.62 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 27.6 m-85 -104.14 165.6 10.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.31 -36.88 6.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.437 1.085 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -128.14 152.94 47.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.99 -21.59 62.29 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.5 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 13.1 p -71.24 -50.77 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.9 m-80 -59.49 -42.89 93.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.832 ' O ' HG23 ' A' ' 41' ' ' VAL . 28.8 t80 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.592 1.183 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.1 -36.73 78.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.04 -40.26 76.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -79.65 -31.12 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 37' ' ' PHE . 86.4 t -69.11 -59.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.735 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -55.12 -28.66 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' CD ' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -80.63 -26.49 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.706 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.2 m -90.68 36.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.7 t30 57.98 17.36 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.34 29.5 74.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.594 1.184 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.706 HG22 ' HB3' ' A' ' 44' ' ' SER . 9.7 t -83.51 -34.13 25.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 0.759 . . . . 0.0 110.391 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.696 HD23 HG22 ' A' ' 41' ' ' VAL . 15.2 tp -69.45 127.88 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.3 p -113.98 155.63 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.3 tm? -82.97 118.67 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -45.56 23.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -178.63 170.7 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.483 ' CE1' HD23 ' A' ' 23' ' ' LEU . 26.3 m-85 -93.66 160.14 14.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 86.29 142.44 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.6 OUTLIER -39.99 134.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.63 73.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.68 88.02 2.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.619 HG22 ' H ' ' A' ' 5' ' ' SER . 5.4 p -140.75 175.57 5.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.619 ' H ' HG22 ' A' ' 4' ' ' VAL . 15.4 p -176.88 152.72 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.481 HG21 ' HB2' ' A' ' 34' ' ' LYS . 16.3 m -101.47 156.38 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' OE2' ' A' ' 10' ' ' GLU . 63.5 t0 -63.08 128.94 38.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' A' ' 6' ' ' VAL . 84.3 m -155.07 25.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 108.284 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 p -102.28 39.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' OE2' ' CG ' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -153.67 22.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.766 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -102.95 166.16 12.37 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 146.88 87.87 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.021 0.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -100.4 148.97 24.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -95.13 54.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . -179.82 177.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.76 -175.44 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 108.323 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -115.05 146.66 41.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -23.47 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 160.32 29.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.13 120.98 43.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 4.3 mmp_? -143.31 99.97 5.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 132.65 15.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.543 1.812 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.565 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -126.68 166.6 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.7 t -135.96 111.74 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.24 172.42 47.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -68.85 -21.76 64.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.814 ' OD1' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -93.03 18.2 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 65.0 27.54 12.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 105.44 17.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.0 m -83.98 127.58 33.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.463 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' HB2' HD12 ' A' ' 23' ' ' LEU . 95.3 m-85 -118.11 164.29 15.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.96 -36.48 6.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.509 ' C ' HD11 ' A' ' 23' ' ' LEU . 98.0 m-20 -145.44 160.09 42.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 0.754 . . . . 0.0 109.342 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.42 -13.6 41.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.466 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.4 p -69.86 -50.55 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -66.24 -42.72 88.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.803 ' CE2' HD12 ' A' ' 50' ' ' LEU . 3.1 t80 -61.61 -45.73 92.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.827 ' O ' HG22 ' A' ' 42' ' ' VAL . 14.1 m -56.52 -48.96 76.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 108.274 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -56.62 -32.18 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 37' ' ' PHE . . . -72.45 -37.98 68.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.439 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 14.6 t -63.27 -59.65 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -55.28 -39.38 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.22 -31.21 72.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -93.42 35.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.999 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.594 ' HB3' HG23 ' A' ' 47' ' ' THR . 62.3 t30 57.0 17.7 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.438 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 70.29 30.95 68.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 45' ' ' ASN . 63.0 p -98.42 -24.62 15.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.814 HD13 ' OD1' ' A' ' 27' ' ' ASP . 4.0 tp -64.23 134.15 54.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -120.34 152.12 38.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.803 HD12 ' CE2' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -82.74 118.53 23.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.49 -45.68 44.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -169.84 179.15 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -98.0 173.2 7.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 59.98 155.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.49 143.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 108.28 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.01 15.65 9.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.68 -161.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 5' ' ' SER . 0.3 OUTLIER -80.74 179.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -168.17 141.13 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 8' ' ' CYS . 27.8 m -101.8 157.06 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 30.5 t0 -69.16 125.28 26.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 6' ' ' VAL . 39.3 m -151.48 26.5 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -100.03 42.4 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.03 27.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.762 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -108.86 164.07 15.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.762 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.07 148.41 91.55 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.971 0.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 7.8 ptmt -123.09 148.5 45.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.62 -58.05 3.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.533 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -51.32 149.83 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -142.28 168.83 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.1 p -89.42 148.27 23.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.7 mt -91.96 -26.42 18.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.81 164.45 21.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -108.25 115.55 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -134.79 99.57 12.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.523 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -75.02 131.38 14.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.768 . . . . 0.0 111.045 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -123.08 165.63 16.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -136.16 117.28 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.97 177.21 53.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 t -74.48 -30.62 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -89.69 17.43 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 71.03 39.99 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -93.69 102.86 15.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.4 m -88.07 126.65 35.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 29' ' ' LYS . 92.7 m-85 -121.34 163.39 18.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -91.48 -37.61 6.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 76.5 m-20 -140.31 160.34 40.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -16.25 56.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.1 p -70.14 -51.05 34.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.25 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.426 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.9 OUTLIER -62.41 -41.88 99.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.5 t80 -63.67 -46.32 86.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.862 ' O ' HG22 ' A' ' 42' ' ' VAL . 18.5 m -58.96 -49.69 76.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.242 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -33.02 65.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.37 -34.12 63.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 37' ' ' PHE . 72.1 t -66.53 -59.27 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.34 -39.3 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -64.87 -28.11 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.22 16.84 9.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 72.07 6.42 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.71 30.71 20.42 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.1 p -99.11 -27.49 13.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD13 ' C ' ' A' ' 48' ' ' LEU . 3.4 tm? -65.99 129.95 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.2 p -120.18 153.48 36.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.611 HD12 ' CE2' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -84.66 121.95 28.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.531 1.144 . . . . 0.0 109.379 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -41.82 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -171.09 -179.38 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' CE2' HG11 ' A' ' 4' ' ' VAL . 3.8 m-85 -101.86 164.71 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.85 146.91 1.8 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -40.8 130.09 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.68 -178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 66.5 58.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.627 HG13 ' N ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 50.9 -180.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.627 ' N ' HG13 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -179.98 119.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.956 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -104.86 134.7 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.405 ' OD1' ' OE1' ' A' ' 10' ' ' GLU . 51.1 t0 -66.79 125.36 25.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.9 m -155.26 25.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 108.265 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.97 27.02 8.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 2.8 pm0 -143.86 15.95 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.727 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -92.95 159.38 35.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.727 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 143.94 79.37 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.035 0.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 10' ' ' GLU . 6.5 mtpp -89.03 148.48 23.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -51.9 63.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.16 -176.06 2.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -155.72 176.77 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.457 ' C ' HD22 ' A' ' 18' ' ' LEU . 9.9 p -85.77 167.93 14.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.457 HD22 ' C ' ' A' ' 17' ' ' THR . 3.2 mm? -106.1 -26.39 11.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 8.9 pm0 -58.53 152.32 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -106.2 127.17 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -147.98 111.24 3.82 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.51 ' C ' HD12 ' A' ' 23' ' ' LEU . 18.3 Cg_endo -75.0 133.48 16.65 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.46 1.769 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.877 HD23 HD13 ' A' ' 50' ' ' LEU . 9.8 mp -122.24 166.1 15.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.5 t -136.0 116.64 13.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.424 1.077 . . . . 0.0 108.311 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 172.17 54.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.2 t -68.67 -25.43 64.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.766 . . . . 0.0 109.976 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.706 ' OD1' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -90.78 18.0 7.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 65.54 28.02 11.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.61 1.194 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -88.54 105.73 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.9 m -84.38 135.73 34.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 110.436 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.66 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 86.3 m-85 -124.82 166.63 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.93 -30.66 10.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 19' ' ' GLU . 6.2 t-20 -153.0 158.73 42.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -17.48 59.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.459 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -69.94 -46.07 66.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -68.86 -35.41 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 50' ' ' LEU . 1.9 t80 -70.17 -40.12 74.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.797 ' O ' HG22 ' A' ' 42' ' ' VAL . 62.2 m -61.21 -49.08 78.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.272 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.1 -32.99 64.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -74.73 -31.23 61.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 37' ' ' PHE . 55.8 t -68.94 -57.81 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.27 -38.05 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -29.61 68.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -89.28 15.84 8.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 71.14 7.82 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.441 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 84.15 30.58 27.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 44' ' ' SER . 73.8 p -96.11 -33.32 12.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.363 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.706 HD13 ' OD1' ' A' ' 27' ' ' ASP . 4.5 tp -64.32 131.53 47.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.366 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -119.86 154.51 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.395 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.877 HD13 HD23 ' A' ' 23' ' ' LEU . 5.9 tp -83.31 122.38 28.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.33 -39.48 25.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.616 1.197 . . . . 0.0 109.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -175.23 179.7 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.536 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 50' ' ' LEU . 5.7 m-85 -101.05 169.74 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 68.3 153.97 0.55 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.0 141.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.62 171.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.06 60.43 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.086 . . . . 0.0 109.358 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.661 HG22 ' H ' ' A' ' 5' ' ' SER . 5.9 p -151.18 176.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.661 ' H ' HG22 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -178.79 108.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 6' ' ' VAL . 27.0 m -93.67 100.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.03 134.22 51.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.1 m -121.71 14.43 10.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 108.248 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.0 m -78.22 52.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -165.77 28.55 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.758 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -113.18 161.28 27.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.758 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.92 147.89 90.41 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.035 -0.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.8 146.04 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 4.8 p-10 -88.29 48.21 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 175.77 174.04 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.8 t -141.21 169.98 16.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.331 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -94.29 146.13 24.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.32 -24.47 23.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.66 156.26 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 110.238 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.93 106.32 14.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.662 ' O ' HD23 ' A' ' 23' ' ' LEU . 3.0 mmp_? -138.63 97.17 9.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.05 98.21 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.686 HD11 ' CB ' ' A' ' 37' ' ' PHE . 0.5 OUTLIER -100.61 154.72 18.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -113.17 127.09 56.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.56 179.68 52.38 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 t -72.59 -22.39 60.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' OD1' HD21 ' A' ' 48' ' ' LEU . 15.8 p-10 -90.01 16.65 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.3 t30 59.77 41.74 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -110.65 119.34 38.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 54.6 m -88.15 120.51 29.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 73.0 m-85 -112.75 133.11 54.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -50.5 -44.21 45.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' C ' HD21 ' A' ' 23' ' ' LEU . 5.1 m-20 -144.74 -179.09 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 0.709 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -69.22 -13.83 62.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 16.3 p -71.34 -51.23 25.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 108.331 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.44 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -66.02 -40.89 91.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.895 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.5 t80 -63.41 -48.29 78.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.529 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.8 m -60.68 -39.49 88.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -56.1 -37.95 70.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.4 -28.55 34.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 37' ' ' PHE . 95.6 t -69.04 -60.34 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.238 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.716 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.34 -27.21 32.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -39.78 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -85.67 46.68 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.031 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.95 20.47 1.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 65.16 30.46 77.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.414 1.071 . . . . 0.0 111.019 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 44' ' ' SER . 69.7 p -95.16 -29.61 14.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 49' ' ' THR . 2.1 tm? -60.03 135.75 57.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.653 ' N ' HD13 ' A' ' 48' ' ' LEU . 28.9 p -120.07 151.81 38.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.627 HD23 HD12 ' A' ' 23' ' ' LEU . 2.2 tm? -73.63 123.69 24.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.27 -48.08 13.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -176.83 176.38 1.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.554 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.603 ' HE2' HG21 ' A' ' 4' ' ' VAL . 14.2 m-85 -98.79 159.87 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.79 151.29 11.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.23 143.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 108.353 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 1' ' ' LEU . . . -40.52 148.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.362 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -93.72 149.93 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 3' ' ' ALA . 6.0 p 50.32 178.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.372 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.703 ' H ' HG22 ' A' ' 4' ' ' VAL . 8.5 p -178.26 143.69 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.972 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.593 HG23 HD22 ' A' ' 50' ' ' LEU . 98.3 t -96.55 148.78 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 35.9 t0 -80.6 114.36 19.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.1 m -149.51 35.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -104.14 46.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.4 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.721 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -111.88 158.69 36.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.721 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.6 Cg_endo -74.93 148.83 92.72 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.019 -0.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.586 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -113.6 145.5 41.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 7.5 p-10 -93.02 64.05 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' O ' ' SG ' ' A' ' 16' ' ' CYS . . . 179.66 160.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 15' ' ' ALA . 15.7 m -164.33 177.11 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.2 p -114.37 165.16 13.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.399 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -86.8 -28.0 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -49.51 149.16 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.34 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.72 124.07 51.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.1 mpt_? -143.74 95.69 5.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.02 139.96 24.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -145.62 173.37 12.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.3 t -131.53 135.94 47.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.89 176.84 42.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.443 1.089 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 t -70.44 -27.03 63.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 0.747 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.508 ' OD1' HD21 ' A' ' 48' ' ' LEU . 8.7 p-10 -87.74 12.52 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 68.1 41.42 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 110.66 22.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 42.9 m -85.87 121.17 28.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.376 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 93.4 m-85 -112.98 164.38 13.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.24 -34.09 8.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 3.3 m-20 -147.06 164.92 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -17.71 63.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.463 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -68.59 -50.02 54.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 108.292 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.56 -44.37 94.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.633 ' CE1' ' CG2' ' A' ' 41' ' ' VAL . 5.9 t80 -62.28 -42.14 99.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.8 ' O ' HG22 ' A' ' 42' ' ' VAL . 22.2 m -58.38 -49.42 77.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.28 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.4 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 2.1 t-20 -58.48 -29.27 66.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.489 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -77.26 -32.42 55.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.633 ' CG2' ' CE1' ' A' ' 37' ' ' PHE . 51.8 t -68.53 -55.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -55.13 -40.74 56.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -41.08 80.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.605 1.191 . . . . 0.0 110.239 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -88.86 41.68 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.353 1.033 . . . . 0.0 110.033 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 48.71 24.18 0.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.45 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 67.01 30.59 76.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 44' ' ' SER . 7.4 t -97.35 -12.39 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 tm? -82.22 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.42 ' N ' HD13 ' A' ' 48' ' ' LEU . 76.5 p -114.01 160.54 18.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.593 HD22 HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -84.62 120.82 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.89 -52.05 11.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -167.41 174.52 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.636 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -95.81 159.58 14.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 77.0 153.74 5.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -41.34 139.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.073 . . . . 0.0 108.277 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 3' ' ' ALA . . . -176.06 114.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.227 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 2' ' ' ALA . . . 178.72 58.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.619 HG13 ' N ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 50.7 179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.619 ' N ' HG13 ' A' ' 4' ' ' VAL . 1.9 p 179.27 151.67 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 34' ' ' LYS . 4.3 m -94.31 157.26 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.359 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -78.52 114.89 17.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -125.08 3.27 7.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -78.74 60.91 2.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.66 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.871 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -37.39 155.62 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.714 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 147.37 89.11 Favored 'Cis proline' 0 C--N 1.359 1.108 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.967 -0.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -98.03 148.2 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 20.5 t0 -96.22 46.59 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 174.95 165.16 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.4 m -155.03 -179.47 8.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 108.267 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 p -98.58 149.18 23.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -82.04 -24.48 35.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 21' ' ' ARG . 2.2 pm0 -68.52 160.0 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -110.98 120.53 42.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -133.95 104.13 11.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -74.97 135.49 19.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.054 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.817 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -131.58 168.66 17.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 10.5 t -131.79 119.03 20.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 108.23 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.23 173.08 54.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.7 t -69.66 -24.72 63.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 0.74 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' OD1' HD11 ' A' ' 48' ' ' LEU . 15.8 p-10 -90.36 16.13 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.8 t30 64.58 36.66 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.84 109.26 22.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.9 m -84.81 117.57 23.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.558 ' CD2' ' HB2' ' A' ' 37' ' ' PHE . 83.1 m-85 -108.78 165.14 11.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.59 -26.13 23.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.58 1.175 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -155.92 167.11 31.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 0.809 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.534 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -64.36 -16.74 62.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -70.62 -54.08 13.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -60.15 -47.92 83.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 41' ' ' VAL . 7.7 t80 -58.26 -55.26 37.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.6 m -57.0 -36.87 70.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -38.74 72.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HB3' ' OH ' ' A' ' 31' ' ' TYR . . . -80.79 -31.78 35.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 37' ' ' PHE . 69.7 t -69.82 -58.49 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.53 -34.74 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.3 -31.87 67.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 39.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.547 1.154 . . . . 0.0 110.064 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.5 t30 59.71 15.76 4.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.545 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.56 29.1 74.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 t -88.17 -34.15 17.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 0.745 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD11 ' OD1' ' A' ' 27' ' ' ASP . 37.9 tp -61.82 137.33 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -119.24 153.69 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 23' ' ' LEU . 7.6 tp -80.19 118.92 22.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -42.82 68.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -175.96 177.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 50' ' ' LEU . 7.3 m-85 -98.62 160.63 14.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.97 143.67 5.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -43.92 129.82 5.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.227 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.226 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 51' ' ' SER . . . -97.41 81.0 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.93 48.11 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.603 HG22 ' H ' ' A' ' 5' ' ' SER . 9.6 p -160.27 174.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.603 ' H ' HG22 ' A' ' 4' ' ' VAL . 5.3 p -179.86 150.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.4 m -93.84 157.01 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.09 117.24 23.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 35.1 m -120.03 -1.95 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -72.15 60.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -164.88 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.706 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -38.22 159.59 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.607 1.192 . . . . 0.0 110.99 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -74.99 145.82 84.97 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.0 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -82.87 148.91 27.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LYS . 2.4 t0 -38.54 -60.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.64 -177.4 5.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.8 t -108.77 165.89 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.292 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -99.54 167.12 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 mp -88.6 -24.39 22.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.83 129.76 27.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.4 119.85 39.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.7 mmt180 -143.06 107.77 5.33 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -75.12 138.09 22.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -132.72 168.57 18.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.345 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.1 t -136.17 111.7 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.58 177.78 43.32 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.3 t -74.06 -23.19 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 0.806 . . . . 0.0 109.954 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.46 18.17 6.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 63.07 30.71 16.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 108.34 20.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 16.3 m -84.43 125.53 32.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.397 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.562 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 94.9 m-85 -112.11 163.76 13.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.5 -34.79 7.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -148.15 165.17 31.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -16.97 63.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.452 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 15.7 p -70.73 -50.77 32.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.295 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 22.5 m-80 -64.52 -41.06 96.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.916 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.1 t80 -64.12 -46.64 83.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.516 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 1.6 m -64.63 -40.32 95.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 108.251 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -56.1 -36.55 68.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.22 -26.32 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.175 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 37' ' ' PHE . 75.7 t -70.17 -58.98 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -33.46 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.81 -29.03 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.329 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 47' ' ' THR . 21.0 p -91.35 28.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.82 14.49 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 76.13 30.36 57.32 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 44' ' ' SER . 69.2 p -93.53 -28.67 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 0.724 . . . . 0.0 110.361 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.643 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.4 tm? -62.94 119.32 9.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.617 ' N ' HD13 ' A' ' 48' ' ' LEU . 69.2 p -105.13 151.2 24.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.2 tt -86.74 118.78 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -77.14 -43.55 33.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.009 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -176.38 173.56 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.632 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -96.13 159.41 14.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.561 1.163 . . . . 0.0 111.05 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 80.34 145.3 3.93 Favored Glycine 0 CA--C 1.528 0.898 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -39.94 137.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.734 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 108.286 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 65.01 178.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 66.8 141.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 5' ' ' SER . 10.0 p -135.6 172.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.568 ' H ' HG22 ' A' ' 4' ' ' VAL . 1.1 t -128.2 133.93 48.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 34' ' ' LYS . 79.2 t -97.24 144.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.402 ' OD1' ' OE2' ' A' ' 10' ' ' GLU . 50.1 t0 -66.22 119.26 11.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 18.9 m -155.94 35.34 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 108.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 p -101.66 41.19 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' OE2' ' OD1' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -161.0 27.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -105.95 159.95 27.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.12 149.58 93.87 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.016 0.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 40.5 pttt -118.79 148.07 43.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.73 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.42 164.74 10.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -170.31 176.6 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.5 p -98.22 164.1 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -25.59 13.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.31 132.87 34.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.13 124.44 34.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mmt180 -142.46 96.83 6.23 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.03 131.07 13.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.518 1.799 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.509 HD22 HD21 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -141.84 166.4 24.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.5 t -121.22 140.36 52.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 108.26 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.28 -179.61 41.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -74.7 -24.61 58.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 0.79 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.51 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.8 p-10 -89.46 15.19 9.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 64.71 40.26 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -108.5 108.55 19.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 21.1 m -84.6 125.82 32.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.67 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 96.5 m-85 -115.93 166.2 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -89.95 -37.81 6.67 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -141.51 160.09 40.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -63.86 -17.44 63.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 10.1 m -70.11 -51.84 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 108.265 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.44 -36.69 83.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.892 ' CE2' HD22 ' A' ' 50' ' ' LEU . 1.7 t80 -69.81 -41.21 75.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.86 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.2 m -62.75 -50.04 72.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 108.3 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.456 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -56.27 -28.79 59.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -79.74 -35.98 37.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 37' ' ' PHE . 59.5 t -63.29 -55.68 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.58 -39.45 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -34.71 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 47' ' ' THR . 0.2 OUTLIER -89.96 37.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.609 1.193 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.87 16.62 4.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.182 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.667 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 70.39 30.55 69.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 44' ' ' SER . 69.1 p -93.47 -34.81 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 0.814 . . . . 0.0 110.363 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.51 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -55.44 129.72 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.559 HG23 ' O ' ' A' ' 47' ' ' THR . 34.0 p -120.05 151.59 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.892 HD22 ' CE2' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -73.1 121.39 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.555 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -78.15 -48.92 14.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.984 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.422 ' O ' HD11 ' A' ' 50' ' ' LEU . 28.5 p80 -174.38 166.66 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.675 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -82.26 167.7 18.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.611 1.195 . . . . 0.0 111.049 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 66.05 155.73 0.33 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.535 1.147 . . . . 0.0 111.06 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 152.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 2.1 pp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 1' ' ' LEU . . . 174.69 154.68 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 51.25 179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.53 HG11 ' CE2' ' A' ' 53' ' ' PHE . 25.3 t -113.46 150.91 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -125.46 100.13 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.45 HG23 ' SG ' ' A' ' 8' ' ' CYS . 18.4 m -94.45 156.7 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 64.4 t0 -76.81 124.29 27.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' SG ' HG23 ' A' ' 6' ' ' VAL . 19.5 m -155.64 26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.21 33.54 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -149.78 19.75 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.761 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -96.26 160.46 29.72 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.761 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 150.04 94.75 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.01 -0.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HD2' ' CG ' ' A' ' 10' ' ' GLU . 27.9 mtpp -99.65 148.65 24.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.497 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 26.8 m-20 -85.39 51.45 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 175.95 159.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -132.01 172.63 12.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -96.36 146.44 24.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.21 -13.89 27.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -72.22 154.68 40.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.84 103.44 12.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' GLY . 5.0 mmp_? -132.46 95.78 20.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.01 130.94 13.73 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -138.82 161.69 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.4 t -117.85 138.41 52.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 108.279 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.27 -178.87 42.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 t -72.8 -31.75 65.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 0.767 . . . . 0.0 109.947 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.631 ' OD1' HD22 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -87.95 14.26 9.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 69.3 43.41 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 1.4 mttt -102.34 108.43 19.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 21.3 m -84.17 114.66 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.46 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 29' ' ' LYS . 57.0 m-85 -105.48 163.85 12.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.06 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -87.74 -32.06 13.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -155.33 178.51 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.347 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -70.67 -16.87 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.473 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 13.1 p -70.68 -51.07 30.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.343 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.465 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.3 OUTLIER -65.0 -41.79 95.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 50' ' ' LEU . 7.7 t80 -61.98 -49.74 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.783 ' O ' HG22 ' A' ' 42' ' ' VAL . 26.0 m -56.26 -49.06 75.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.254 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.66 -32.03 68.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' CB ' ' CE1' ' A' ' 31' ' ' TYR . . . -74.23 -31.42 62.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' PHE . 53.2 t -68.56 -58.13 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.45 -38.39 48.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.76 -30.54 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -87.75 14.09 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 74.45 4.53 4.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.15 29.64 12.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.478 1.111 . . . . 0.0 111.084 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.7 p -101.59 -28.4 12.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.324 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.709 HD13 ' N ' ' A' ' 49' ' ' THR . 1.5 tm? -69.87 125.37 26.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.709 ' N ' HD13 ' A' ' 48' ' ' LEU . 70.4 p -117.68 158.03 25.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.16 . . . . 0.0 110.463 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.558 ' CD1' HD13 ' A' ' 23' ' ' LEU . 9.8 tt -81.78 119.75 24.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.03 -44.88 19.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -173.03 177.23 2.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.624 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.53 ' CE2' HG11 ' A' ' 4' ' ' VAL . 2.4 m-85 -99.03 162.1 13.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 80.14 145.39 3.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 141.03 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.332 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.52 69.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.96 43.93 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 5' ' ' SER . 2.9 p -172.22 175.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.584 ' H ' HG22 ' A' ' 4' ' ' VAL . 40.8 t 178.96 132.04 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.576 HG11 ' CE1' ' A' ' 37' ' ' PHE . 10.6 p -96.84 157.16 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -108.94 126.04 52.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.1 m -135.82 12.87 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -79.21 65.96 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -172.93 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.928 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -38.48 159.08 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.972 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.766 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -74.93 146.81 87.7 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 15' ' ' ALA . 10.1 ptpt -101.67 148.04 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.29 44.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' O ' ' CD ' ' A' ' 13' ' ' LYS . . . -175.07 118.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.3 m -126.49 176.18 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.303 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -110.18 163.94 13.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.54 -23.02 23.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.14 161.28 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.04 121.5 43.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -143.7 98.91 5.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.641 ' O ' HD12 ' A' ' 23' ' ' LEU . 18.1 Cg_endo -75.08 131.46 14.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 22' ' ' PRO . 8.0 mp -122.63 165.92 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 t -135.57 108.55 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 108.254 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.99 173.23 48.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -72.51 -22.53 61.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.741 . . . . 0.0 110.015 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.551 ' OD1' HD21 ' A' ' 48' ' ' LEU . 16.4 p-10 -86.26 8.46 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 70.63 35.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 5.4 mttt -99.91 111.11 23.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.598 1.187 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.9 m -87.01 115.96 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 37' ' ' PHE . 83.5 m-85 -104.59 164.93 11.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.25 -33.53 8.71 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 23.2 m-20 -145.58 166.79 24.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HD2' HG23 ' A' ' 6' ' ' VAL . 4.7 tttt -65.56 -18.19 65.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.63 -48.12 56.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 108.264 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -62.95 -45.96 90.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.576 ' CE1' HG11 ' A' ' 6' ' ' VAL . 31.7 t80 -61.16 -50.76 71.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.438 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 1.7 m -59.86 -40.05 87.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -57.38 -34.65 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.34 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.34 -30.94 33.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.514 HG22 ' HB3' ' A' ' 48' ' ' LEU . 6.3 t -69.27 -61.16 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.928 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -55.95 -26.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 0.3 OUTLIER -70.82 -39.15 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.345 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -90.15 41.37 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 61.36 15.24 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 69.71 30.56 70.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 44' ' ' SER . 72.4 p -90.48 -34.05 15.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 0.804 . . . . 0.0 110.367 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.551 HD21 ' OD1' ' A' ' 27' ' ' ASP . 2.2 tm? -54.87 133.09 47.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.452 ' N ' HD13 ' A' ' 48' ' ' LEU . 56.0 p -112.73 154.68 25.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 9.1 tt -84.34 120.16 25.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.35 -45.92 52.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.447 ' N ' HD23 ' A' ' 50' ' ' LEU . 19.7 p80 -174.88 172.11 2.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 109.587 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.473 ' CD1' HG11 ' A' ' 4' ' ' VAL . 4.1 m-85 -95.61 158.42 15.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.68 147.07 6.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -43.02 130.54 4.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 0.734 . . . . 0.0 109.229 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.288 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.628 HD23 ' H ' ' A' ' 2' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.628 ' H ' HD23 ' A' ' 1' ' ' LEU . . . 68.26 -161.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 63.13 73.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.519 HG22 ' H ' ' A' ' 5' ' ' SER . 11.8 p -120.56 170.74 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.519 ' H ' HG22 ' A' ' 4' ' ' VAL . 6.5 t -132.33 137.35 47.38 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.463 HG23 ' SG ' ' A' ' 8' ' ' CYS . 18.6 m -94.92 156.01 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -64.4 124.97 23.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' HG23 ' A' ' 6' ' ' VAL . 59.7 m -155.23 33.01 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 108.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.44 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -107.49 43.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 0.0 109.94 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' OE1' ' N ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -161.96 27.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.739 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.31 163.99 15.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.953 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.739 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 140.08 65.33 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.944 -2.524 . . . . 0.0 111.079 -0.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -90.42 148.6 22.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.21 44.08 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.32 -178.71 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -145.73 -174.48 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.322 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 35' ' ' CYS . 25.4 p -114.06 148.73 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.478 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -91.06 -26.47 19.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 -64.23 153.75 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CE1' ' HD3' ' A' ' 22' ' ' PRO . 1.0 OUTLIER -112.29 116.77 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.862 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.54 99.89 4.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.25 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.09 121.17 6.38 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.862 HD23 ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -125.79 163.41 22.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.5 t -122.45 129.12 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -178.7 48.29 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -78.0 -21.87 50.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -84.98 8.02 19.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t30 68.03 42.24 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -113.88 114.89 26.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.5 m -87.32 108.45 18.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.573 ' OH ' ' HB1' ' A' ' 40' ' ' ALA . 95.6 m-85 -95.34 162.86 13.5 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.58 -39.28 5.96 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.461 1.1 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 m-20 -139.66 161.62 37.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 0.803 . . . . 0.0 109.262 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -66.14 -14.36 61.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.513 ' HB3' HG23 ' A' ' 17' ' ' THR . 14.8 p -70.21 -51.06 33.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -65.18 -42.15 93.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.661 ' CE2' HD22 ' A' ' 50' ' ' LEU . 3.3 t80 -62.52 -46.38 88.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 111.029 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.734 ' O ' HG22 ' A' ' 42' ' ' VAL . 17.1 m -56.81 -49.33 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -28.6 65.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.573 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -77.05 -30.93 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' GLY . 24.3 t -68.95 -59.46 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.734 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.76 -36.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.89 -32.38 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 41.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 55.94 18.38 3.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 65.68 30.73 77.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 49' ' ' THR . 3.3 t -98.23 -27.16 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 49' ' ' THR . 6.9 tt -58.11 126.94 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 47' ' ' THR . 68.8 p -116.19 151.66 35.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.148 . . . . 0.0 110.381 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.67 HD13 ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -75.59 123.47 25.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.67 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.04 -49.68 9.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.489 ' O ' HD11 ' A' ' 50' ' ' LEU . 23.9 p80 -172.15 174.01 4.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.556 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -96.52 164.01 12.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.52 152.31 3.53 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 136.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.291 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 3' ' ' ALA . . . 58.93 65.97 1.13 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 2' ' ' ALA . . . -179.57 90.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 5' ' ' SER . 8.8 p -54.26 163.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 4' ' ' VAL . 10.7 p -161.15 153.59 20.36 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' A' ' 34' ' ' LYS . 21.8 t -94.47 157.55 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -87.82 111.45 21.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 3.5 m -120.71 1.94 10.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.605 1.19 . . . . 0.0 108.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.6 m -70.97 59.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -165.58 -40.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.904 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -38.18 158.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.743 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 139.35 61.26 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.028 -0.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 3.5 ptmt -96.86 141.71 29.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -102.35 50.06 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.35 134.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.3 m -135.07 175.41 9.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -99.71 169.11 9.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.72 -27.4 14.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 pm0 -60.3 157.42 13.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.229 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 0.9 OUTLIER -109.7 117.67 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' NE ' ' O ' ' A' ' 20' ' ' TYR . 2.4 mmp_? -129.71 95.78 28.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.219 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.08 137.81 22.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.535 1.808 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.53 HD13 HD12 ' A' ' 50' ' ' LEU . 1.6 pp -153.44 149.82 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.2 t -101.2 145.7 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 108.272 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.69 -179.4 33.47 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -76.38 -17.81 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 0.772 . . . . 0.0 110.04 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.533 ' OD1' HD21 ' A' ' 48' ' ' LEU . 21.7 p-10 -94.06 2.8 55.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 9.4 t-20 78.07 37.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 2.4 tttm -108.89 112.82 25.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.8 m -88.24 109.03 19.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CE1' ' HD3' ' A' ' 29' ' ' LYS . 94.3 m-85 -96.82 164.89 12.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.63 -32.55 9.2 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -144.39 169.33 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.612 ' HB2' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -69.59 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.424 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 1.8 m -71.26 -50.25 34.68 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.67 -45.85 90.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.824 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.4 t80 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 14.9 m -56.11 -35.74 67.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 108.349 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.426 ' ND2' ' OH ' ' A' ' 11' ' ' TYR . 1.1 m-80 -56.78 -39.75 74.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.67 -28.68 33.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 37' ' ' PHE . 57.8 t -69.49 -60.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.904 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -58.01 -32.93 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.42 -29.95 68.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -95.35 29.62 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.024 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 t30 66.01 12.66 8.6 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.385 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.629 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 79.75 29.98 45.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 44' ' ' SER . 48.9 p -84.17 -38.61 20.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.39 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD12 HG22 ' A' ' 41' ' ' VAL . 2.7 tm? -70.36 120.09 15.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.7 p -110.23 150.73 28.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.53 HD12 HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -68.95 124.95 25.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -51.08 8.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -171.01 169.0 6.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.541 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -90.97 155.92 18.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.145 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 82.95 148.6 7.78 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.985 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -40.92 138.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 3.6 mt . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 1' ' ' LEU . . . 172.78 76.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.7 62.35 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.952 HG13 ' CE2' ' A' ' 53' ' ' PHE . 24.5 t -149.01 149.06 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.31 119.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.721 HG21 ' CE1' ' A' ' 37' ' ' PHE . 0.9 OUTLIER -94.78 156.34 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 59.9 t0 -103.82 115.08 29.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -129.39 8.0 5.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.23 55.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' CG ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -177.68 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.847 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -40.82 154.55 0.21 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.713 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.07 141.13 70.77 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.961 -2.516 . . . . 0.0 110.994 0.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HD3' ' CD1' ' A' ' 11' ' ' TYR . 1.1 mtpp -82.55 132.59 35.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.45 -53.73 27.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.58 169.82 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.2 m -143.7 165.06 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.9 p -87.97 165.83 14.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.407 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -101.13 -24.63 14.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.44 136.07 3.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.59 120.04 32.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.8 mmt180 -143.53 101.22 5.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.275 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.605 ' O ' HD23 ' A' ' 23' ' ' LEU . 18.2 Cg_endo -75.08 135.1 18.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -132.42 166.57 21.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.0 t -134.98 108.48 7.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 108.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.55 166.63 54.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.1 t -68.63 -14.04 62.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 16.6 p-10 -90.21 19.22 5.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.39 43.92 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' CG ' ' A' ' 27' ' ' ASP . 3.0 mmtt -118.77 114.24 22.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -86.02 121.52 28.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.47 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 96.8 m-85 -105.12 162.93 12.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.35 -36.82 6.85 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -142.81 164.36 30.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.797 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HA ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -63.32 -17.55 62.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -70.87 -53.97 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 108.257 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.32 -37.94 79.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.876 ' CE1' HG21 ' A' ' 41' ' ' VAL . 22.7 t80 -65.75 -54.55 25.71 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.544 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -58.05 -36.66 73.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.311 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.48 -39.12 72.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -30.66 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.876 HG21 ' CE1' ' A' ' 37' ' ' PHE . 51.4 t -70.08 -59.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.847 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.14 -35.62 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.415 1.072 . . . . 0.0 109.248 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.86 -38.61 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER -87.95 44.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.491 ' HB3' HG23 ' A' ' 47' ' ' THR . 0.5 OUTLIER 55.21 19.42 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.504 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.38 30.46 77.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.568 1.167 . . . . 0.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 44' ' ' SER . 74.1 p -89.93 -35.47 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 0.79 . . . . 0.0 110.387 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD12 HG22 ' A' ' 41' ' ' VAL . 2.7 tm? -54.26 136.62 42.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.442 ' N ' HD13 ' A' ' 48' ' ' LEU . 68.0 p -120.41 153.36 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.743 HD23 ' CG1' ' A' ' 4' ' ' VAL . 26.0 tp -82.49 118.52 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -37.43 67.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.052 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -176.21 173.0 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.952 ' CE2' HG13 ' A' ' 4' ' ' VAL . 3.9 m-85 -100.36 159.98 14.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 78.93 150.95 5.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -39.9 137.07 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 0.74 . . . . 0.0 109.345 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.51 56.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.74 145.94 2.54 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.597 HG22 ' H ' ' A' ' 5' ' ' SER . 2.3 p -75.28 177.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.597 ' H ' HG22 ' A' ' 4' ' ' VAL . 1.2 t -165.31 148.34 8.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 0.0 109.965 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.701 HG23 HD22 ' A' ' 50' ' ' LEU . 59.1 t -99.02 143.44 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.418 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 26.2 t0 -85.12 119.47 25.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 56.3 m -131.97 13.23 4.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 108.269 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.7 p -90.87 33.36 0.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.421 1.076 . . . . 0.0 109.944 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' OE1' ' HA ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -142.19 14.31 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.347 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.757 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -101.37 165.44 14.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.757 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 148.99 93.04 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.024 0.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -104.05 148.45 26.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.41 73.22 0.84 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -176.89 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t 57.56 -176.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 108.284 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.4 p -115.24 147.29 40.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.73 -13.16 29.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.236 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -72.56 153.92 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.67 107.19 16.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' O ' HD23 ' A' ' 23' ' ' LEU . 4.4 ptp180 -142.71 99.0 5.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.5 Cg_endo -74.98 118.37 5.25 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.599 HD11 ' CB ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -120.56 145.47 47.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.0 t -103.43 129.5 50.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.14 -179.83 49.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.9 t -71.51 -25.33 62.2 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.539 0.787 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.599 ' OD1' HD13 ' A' ' 48' ' ' LEU . 17.1 p-10 -89.43 15.06 9.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.9 t30 62.78 41.89 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -109.23 121.76 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.3 m -90.36 124.86 35.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.402 1.064 . . . . 0.0 110.409 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.526 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 78.8 m-85 -117.01 129.51 56.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -49.12 -44.0 32.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.473 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -143.32 170.29 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.339 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.658 ' HD2' HG13 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.81 -13.13 41.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 9.6 p -71.81 -51.43 22.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.487 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.5 OUTLIER -64.3 -40.81 96.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CB ' HD11 ' A' ' 23' ' ' LEU . 14.3 t80 -63.82 -51.66 63.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 1.6 m -58.33 -41.53 84.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -55.7 -35.04 65.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.49 -31.52 32.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.581 ' CG2' HD23 ' A' ' 48' ' ' LEU . 38.6 t -69.62 -59.93 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.61 -31.93 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.07 -42.68 89.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.752 ' HB3' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -88.95 46.84 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.72 24.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.09 29.62 75.33 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.752 HG22 ' HB3' ' A' ' 44' ' ' SER . 14.6 t -84.49 -25.96 28.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.779 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.599 HD13 ' OD1' ' A' ' 27' ' ' ASP . 3.7 tp -70.92 137.47 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -117.95 160.69 21.02 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.701 HD22 HG23 ' A' ' 6' ' ' VAL . 1.2 tp -87.88 121.11 29.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.05 -45.79 25.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -178.02 170.08 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.083 . . . . 0.0 109.61 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -90.92 164.57 13.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 74.94 147.44 1.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.568 1.168 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.86 142.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 0.725 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.282 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.64 131.84 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.25 165.35 4.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.633 HG22 ' H ' ' A' ' 5' ' ' SER . 9.9 p -57.94 174.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.633 ' H ' HG22 ' A' ' 4' ' ' VAL . 2.4 t -148.55 130.67 15.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 23.5 t -93.87 157.06 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -98.47 132.99 43.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 42' ' ' VAL . 48.7 t -147.17 20.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.4 t -91.65 22.42 4.11 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' OE2' ' CD ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -138.21 13.75 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.901 ' HB3' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -97.59 158.09 33.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.757 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 142.59 75.22 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.976 0.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' CD ' ' OE2' ' A' ' 10' ' ' GLU . 1.7 mtpp -82.87 148.45 27.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.236 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -45.84 73.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.53 138.18 53.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 m -86.44 179.9 6.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 p -88.82 160.01 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -111.59 -22.12 11.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -62.38 157.77 19.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.27 109.31 20.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 32' ' ' GLY . 2.8 mmt180 -144.44 96.83 5.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.5 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 18.3 Cg_endo -74.95 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -112.0 166.29 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.3 t -123.47 112.09 17.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.369 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 172.92 46.54 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -70.98 -22.46 62.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 110.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.894 ' CG ' HD11 ' A' ' 48' ' ' LEU . 14.8 p-10 -92.7 17.62 10.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 61.7 39.38 14.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -104.78 117.34 33.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.8 m -84.08 116.59 22.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.521 ' O ' HD12 ' A' ' 23' ' ' LEU . 60.2 m-85 -109.85 130.62 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -53.76 -35.93 53.79 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.489 ' C ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -154.89 173.92 15.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 0.1 OUTLIER -63.48 -14.91 55.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.8 t -71.08 -54.99 9.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -40.91 98.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.624 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.7 t80 -61.92 -59.33 5.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.732 ' SG ' ' CD1' ' A' ' 11' ' ' TYR . 43.8 t -56.16 -38.07 70.39 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.586 1.179 . . . . 0.0 108.315 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -55.7 -37.84 68.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.65 -31.09 32.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.677 HG12 ' HA2' ' A' ' 46' ' ' GLY . 87.0 t -70.23 -59.83 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.901 HG21 ' HB3' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -55.03 -35.68 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.96 -24.73 61.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.57 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.1 m -99.88 41.74 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.16 17.34 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.677 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.9 30.47 77.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.57 HG22 ' HB3' ' A' ' 44' ' ' SER . 7.9 t -88.31 -35.15 17.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.894 HD11 ' CG ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -61.9 128.72 37.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.0 p -112.93 154.08 26.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -80.08 120.32 24.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.584 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -73.02 -51.12 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.456 ' O ' HD11 ' A' ' 50' ' ' LEU . 15.7 p80 -174.43 167.66 3.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.62 ' HE2' HG21 ' A' ' 4' ' ' VAL . 15.9 m-85 -85.43 161.58 19.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 83.95 140.45 4.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -48.21 131.87 16.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.7 pp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.66 104.48 13.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.399 1.062 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.15 60.81 2.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.587 HG22 ' H ' ' A' ' 5' ' ' SER . 2.4 p -78.85 177.55 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.587 ' H ' HG22 ' A' ' 4' ' ' VAL . 6.2 p -179.18 127.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.983 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 m -102.33 131.5 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -63.69 124.66 21.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.8 m -154.79 24.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 108.357 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.4 p -103.12 15.32 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -119.03 -30.72 4.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.746 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -43.36 166.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 131.28 23.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.043 -2.482 . . . . 0.0 110.986 -0.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -82.54 148.85 27.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -116.83 71.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.11 -87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.6 m 66.85 152.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.251 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.5 p -109.92 169.2 8.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.71 -19.65 57.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.3 139.29 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.22 124.05 50.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.963 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' GLY . 1.3 mmt180 -145.72 97.94 4.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.05 127.18 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.436 1.756 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.942 HD13 ' CD1' ' A' ' 50' ' ' LEU . 1.1 pp -138.79 179.28 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.5 t -135.84 138.3 42.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.088 . . . . 0.0 108.327 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.64 175.73 37.49 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.567 1.167 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -71.82 -16.23 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.413 0.714 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -87.62 11.12 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.1 t30 63.04 41.49 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.11 120.06 35.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 16.2 m -86.21 132.35 34.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 0.0 110.404 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 82.1 m-85 -115.7 164.16 14.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -84.51 -37.76 10.43 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -146.65 164.53 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.628 0.84 . . . . 0.0 109.33 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -64.7 -17.9 64.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.498 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 1.2 m -70.15 -54.1 14.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -57.84 -45.21 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . 20.2 t80 -62.36 -46.46 88.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.68 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.1 m -56.67 -48.47 77.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.58 -30.67 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -77.25 -28.95 53.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.532 ' CG2' HD23 ' A' ' 48' ' ' LEU . 25.8 t -68.84 -56.96 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.25 -34.19 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.76 -23.35 49.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.49 33.82 1.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 61.67 14.51 6.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.439 ' HA2' ' CG1' ' A' ' 41' ' ' VAL . . . 65.64 30.9 78.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.9 -13.28 15.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 110.405 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.532 HD23 ' CG2' ' A' ' 41' ' ' VAL . 4.2 tp -72.9 127.71 33.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 p -113.37 154.74 26.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.942 ' CD1' HD13 ' A' ' 23' ' ' LEU . 14.4 tp -76.76 120.96 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -46.89 29.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -175.67 -176.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.592 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE1' HD21 ' A' ' 50' ' ' LEU . 6.8 m-85 -103.8 162.04 13.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 111.025 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 73.72 155.99 3.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER -39.93 140.4 0.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.06 173.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.757 ' O ' HG12 ' A' ' 4' ' ' VAL . . . -176.13 57.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.757 HG12 ' O ' ' A' ' 3' ' ' ALA . 7.1 p 51.13 176.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.682 ' H ' HG22 ' A' ' 4' ' ' VAL . 26.5 p -154.86 123.98 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 1.125 HG23 HD22 ' A' ' 50' ' ' LEU . 74.1 t -95.81 151.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.414 ' OD1' ' OE2' ' A' ' 10' ' ' GLU . 59.6 t0 -89.17 120.37 30.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.37 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 7' ' ' ASP . 55.7 m -155.54 47.92 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 108.332 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 m -120.62 46.43 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' HG2' ' CE ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -166.71 30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.763 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -107.45 163.32 17.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.964 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.763 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.2 Cg_endo -75.0 145.08 82.95 Favored 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.014 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 9.9 mttp -86.21 148.73 25.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.08 -40.07 96.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.84 172.96 6.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 17' ' ' THR . 9.4 t -132.57 162.87 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 108.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.437 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 40.2 p -84.07 150.53 25.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.487 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.771 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -102.42 -7.2 22.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' N ' HD13 ' A' ' 18' ' ' LEU . 12.7 mp0 -66.08 145.99 55.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.85 99.14 10.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -131.85 95.63 22.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.05 122.08 6.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CG ' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -131.64 155.21 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 37.7 t -113.64 133.45 55.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.17 -178.7 44.4 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 t -75.96 -24.26 55.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.422 ' OD1' HD13 ' A' ' 48' ' ' LEU . 18.0 p-10 -85.8 9.18 17.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.7 t30 68.13 43.29 1.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -112.38 114.17 26.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.242 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 13.5 m -89.3 108.64 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.519 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 67.5 m-85 -96.88 161.1 14.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.61 1.194 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -80.55 -34.82 27.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -150.53 166.46 30.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -66.3 -13.25 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.513 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 1.8 p -69.39 -52.02 31.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 108.343 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.513 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -66.19 -42.81 88.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CG ' HD11 ' A' ' 23' ' ' LEU . 7.1 t80 -61.2 -44.47 97.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.684 ' O ' HG22 ' A' ' 42' ' ' VAL . 6.4 m -56.85 -49.72 74.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.405 1.066 . . . . 0.0 108.274 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.86 -32.37 65.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.07 -34.98 64.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.371 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.448 ' HA ' HD23 ' A' ' 48' ' ' LEU . 37.2 t -62.22 -59.06 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -55.4 -34.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.71 -30.01 69.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -83.95 7.49 18.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 44' ' ' SER . 1.2 t-20 80.59 -2.4 1.88 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.15 30.67 7.29 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.4 p -105.14 -30.45 9.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 41' ' ' VAL . 0.7 OUTLIER -63.18 132.82 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -121.16 155.82 33.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.125 HD22 HG23 ' A' ' 6' ' ' VAL . 3.4 tp -78.24 124.06 27.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -51.8 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -170.59 176.57 4.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.5 ' HE2' HG21 ' A' ' 4' ' ' VAL . 1.3 m-85 -92.23 165.87 12.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 71.36 148.01 0.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' CYS . 1.1 tmtp? -45.62 139.94 3.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.217 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.91 57.95 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.94 55.65 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 5' ' ' SER . 1.4 p -90.72 177.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.547 ' H ' HG22 ' A' ' 4' ' ' VAL . 27.0 p -163.74 139.37 6.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.044 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.436 HG13 HD22 ' A' ' 50' ' ' LEU . 27.7 m -102.93 154.65 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -78.41 111.52 14.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.1 10.41 4.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 108.344 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 m -90.86 76.71 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.951 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.86 -37.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.736 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.8 OUTLIER -44.02 169.3 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.736 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.03 142.25 74.18 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.03 0.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG3' ' CD1' ' A' ' 11' ' ' TYR . 3.4 mtmt -102.5 148.83 25.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -91.54 68.51 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 171.58 170.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 t -156.16 175.83 13.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 108.301 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -107.18 145.54 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.23 -28.03 27.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.07 153.34 42.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.63 123.14 46.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -142.41 95.94 6.46 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.04 132.15 15.04 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.61 HD12 HD13 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -137.12 167.1 22.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.0 t -127.14 127.6 44.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 108.337 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.12 175.89 48.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -70.79 -14.68 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' CG ' HD13 ' A' ' 48' ' ' LEU . 1.2 p30 -90.21 -0.31 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.486 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 78.57 10.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 111.14 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.663 HG21 ' HD2' ' A' ' 55' ' ' LYS . 26.0 m -84.19 129.87 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.393 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.502 ' OH ' ' HB1' ' A' ' 40' ' ' ALA . 99.4 m-85 -113.59 165.63 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 33' ' ' ASN . . . -90.57 -37.25 6.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 83.0 m-20 -141.74 160.23 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 0.739 . . . . 0.0 109.395 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -64.82 -14.37 59.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.505 ' HA ' ' OH ' ' A' ' 11' ' ' TYR . 17.2 p -70.72 -50.77 32.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.417 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 0.8 OUTLIER -64.69 -42.31 95.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.666 ' CE1' HG21 ' A' ' 41' ' ' VAL . 2.9 t80 -64.06 -44.17 93.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.85 ' O ' HG22 ' A' ' 42' ' ' VAL . 6.1 m -56.53 -48.8 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 108.231 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 2.0 m120 -58.55 -32.17 68.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.502 ' HB1' ' OH ' ' A' ' 31' ' ' TYR . . . -73.47 -34.29 65.27 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.666 HG21 ' CE1' ' A' ' 37' ' ' PHE . 41.0 t -67.93 -58.02 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -55.57 -41.33 63.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.1 -39.85 72.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.732 ' HB3' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER -91.57 44.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.16 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' VAL . . . 66.43 30.56 76.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.732 HG22 ' HB3' ' A' ' 44' ' ' SER . 11.4 t -89.63 -25.03 21.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.429 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.484 HD13 ' CG ' ' A' ' 27' ' ' ASP . 7.9 tp -70.84 132.8 45.82 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -118.85 152.23 36.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.379 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.61 HD13 HD12 ' A' ' 23' ' ' LEU . 32.1 tp -74.83 121.88 22.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -54.44 5.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.961 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -166.25 178.4 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -99.58 160.8 14.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . 75.15 152.42 3.27 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.663 ' HD2' HG21 ' A' ' 30' ' ' THR . 0.7 OUTLIER -40.28 137.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 0.0 109.312 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.397 1.061 . . . . 0.0 108.303 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.39 163.1 23.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . -137.75 167.76 21.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.638 ' CG1' HD23 ' A' ' 50' ' ' LEU . 85.8 t 60.4 147.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.5 90.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' A' ' 34' ' ' LYS . 94.5 t -97.41 149.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -88.86 126.6 35.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.351 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 83.6 m -150.8 64.66 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.256 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.92 43.49 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.943 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.95 26.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.74 ' CD2' ' HA ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -101.58 165.61 13.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.941 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.74 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 144.21 80.22 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.952 -2.52 . . . . 0.0 111.029 -0.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.1 148.86 23.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.68 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -77.54 55.74 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 14' ' ' ASP . . . 162.97 134.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.1 t -119.03 170.2 9.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 108.319 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.7 p -91.92 146.26 23.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.376 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -29.14 16.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.69 140.74 55.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -88.35 124.31 33.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -147.48 99.14 3.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.06 132.25 15.13 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.394 1.734 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HB2' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -137.4 162.46 33.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.3 t -115.59 145.14 42.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.525 1.14 . . . . 0.0 108.333 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.12 175.68 24.08 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.0 t -74.36 -21.13 59.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 109.957 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' OD1' HD13 ' A' ' 48' ' ' LEU . 16.2 p-10 -89.52 11.63 18.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.7 t30 66.21 39.94 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.4 117.94 33.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.42 HG23 ' HA ' ' A' ' 55' ' ' LYS . 4.1 m -92.95 122.37 35.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' PRO . 83.5 m-85 -111.5 166.11 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.016 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 21' ' ' ARG . . . -90.33 -33.56 8.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -140.14 158.49 43.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 8.4 tttt -62.75 -18.46 62.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 11' ' ' TYR . 18.7 p -71.62 -51.12 24.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 108.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.8 m-80 -58.45 -42.5 87.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.678 ' CE1' HG21 ' A' ' 41' ' ' VAL . 2.1 t80 -67.86 -44.01 78.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.828 ' O ' HG22 ' A' ' 42' ' ' VAL . 4.1 m -56.89 -49.86 74.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 108.276 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -56.78 -30.42 63.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.7 -32.1 57.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.678 HG21 ' CE1' ' A' ' 37' ' ' PHE . 45.9 t -68.51 -56.52 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -54.04 -37.88 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.252 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.32 -34.81 79.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -90.14 38.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 59.69 16.05 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 109.244 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.602 ' HA2' HG12 ' A' ' 41' ' ' VAL . . . 65.52 30.32 77.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 44' ' ' SER . 31.0 p -95.72 -24.67 16.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD13 ' OD1' ' A' ' 27' ' ' ASP . 7.9 tp -68.72 133.61 48.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.1 p -118.96 150.9 39.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.379 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.665 HD12 ' CE2' ' A' ' 37' ' ' PHE . 5.7 tp -68.49 122.71 19.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.95 -51.97 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -170.2 172.7 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 4' ' ' VAL . 48.5 m-85 -88.63 156.14 19.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 22' ' ' PRO . . . 80.01 137.28 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HA ' HG23 ' A' ' 30' ' ' THR . 29.6 pttt -40.48 138.65 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LYS . 2.2 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 108.31 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.92 164.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.97 -177.92 6.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.612 HG13 ' N ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 50.62 179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.612 ' N ' HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER 176.8 138.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.76 125.98 46.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -62.65 124.97 22.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 m -134.02 11.39 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.6 p -88.31 18.96 4.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' ' 11' ' ' TYR . 2.6 pm0 -115.84 -31.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.735 ' CB ' HG21 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -50.96 169.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.719 ' HA ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 Cg_endo -74.95 148.6 92.15 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.03 -0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HD3' ' CE1' ' A' ' 11' ' ' TYR . 8.8 mtpp -106.77 148.78 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -14.36 13.26 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.7 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.367 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.3 t 63.75 166.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.451 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 46.9 p -113.57 145.99 40.39 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.466 1.104 . . . . 0.0 110.381 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.78 -30.5 22.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 3.9 mm-40 -49.76 166.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -115.27 118.52 33.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -137.49 98.79 9.83 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.91 136.79 21.07 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD23 ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -150.16 144.91 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.9 t -103.85 134.3 47.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 108.304 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.43 -179.34 48.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 t -74.22 -28.18 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.3 17.6 7.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 67.04 37.28 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -99.75 96.65 7.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 m -86.4 110.62 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 40' ' ' ALA . 27.6 m-85 -104.14 165.6 10.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ARG . . . -90.31 -36.88 6.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.437 1.085 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -128.14 152.94 47.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -70.99 -21.59 62.29 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.5 ' O ' ' OH ' ' A' ' 11' ' ' TYR . 13.1 p -71.24 -50.77 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 1.9 m-80 -59.49 -42.89 93.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.832 ' O ' HG23 ' A' ' 41' ' ' VAL . 28.8 t80 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.592 1.183 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.1 -36.73 78.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.04 -40.26 76.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' CB ' ' OH ' ' A' ' 31' ' ' TYR . . . -79.65 -31.12 41.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 37' ' ' PHE . 86.4 t -69.11 -59.66 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.735 HG21 ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -55.12 -28.66 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' CD ' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -80.63 -26.49 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.706 ' HB3' HG22 ' A' ' 47' ' ' THR . 1.2 m -90.68 36.28 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.7 t30 57.98 17.36 4.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 67.34 29.5 74.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.594 1.184 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.706 HG22 ' HB3' ' A' ' 44' ' ' SER . 9.7 t -83.51 -34.13 25.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 0.759 . . . . 0.0 110.391 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD23 HG22 ' A' ' 41' ' ' VAL . 15.2 tp -69.45 127.88 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.3 p -113.98 155.63 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.3 tm? -82.97 118.67 23.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -45.56 23.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -178.63 170.7 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.483 ' CE1' HD23 ' A' ' 23' ' ' LEU . 26.3 m-85 -93.66 160.14 14.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 55' ' ' LYS . . . 86.29 142.44 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLY . 0.6 OUTLIER -39.99 134.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 stop_ save_