data_1ftz_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 1ftz _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.67 -0.863 . . . . 3.32 108.67 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.08 169.94 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.257 1.823 . . . . 2.6 108.276 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -54.67 -50.29 68.58 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.274 -0.639 . . . . 6.09 109.274 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.91 -56.95 13.95 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.55 0.74 . . . . 2.13 109.785 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -52.83 59.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.574 0.702 . . . . 1.69 109.671 -175.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 m -58.02 -39.04 77.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 118.092 -0.956 . . . . 1.72 110.663 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -50.04 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.519 1.509 . . . . 1.8 109.377 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.45 -45.0 89.44 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.423 0.63 . . . . 3.73 109.971 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.76 -47.98 78.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.562 0.745 . . . . 2.64 111.372 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.05 -48.97 78.48 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 3.71 111.417 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -7.62 49.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.419 0.896 . . . . 4.94 113.419 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -87.39 -39.92 14.86 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 122.195 0.998 . . . . 3.98 109.3 163.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.18 -44.3 95.79 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.756 -0.59 . . . . 1.76 110.394 -172.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -17.38 64.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.93 -0.708 . . . . 4.84 112.111 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -54.82 5.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.708 -1.219 . . . . 4.19 107.708 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -144.18 88.16 1.94 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.583 1.553 . . . . 2.56 109.251 -168.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -55.96 -24.13 36.5 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.598 -0.689 . . . . 5.95 111.396 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.19 109.8 15.85 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.457 1.903 . . . . 2.86 106.021 160.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.74 156.5 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.444 0.64 . . . . 2.98 109.421 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.13 147.2 53.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.069 -1.456 . . . . 1.93 107.069 167.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -61.11 -38.63 86.99 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 118.355 -1.338 . . . . 4.51 110.222 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -52.46 -55.45 21.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.967 0.349 . . . . 7.28 110.329 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -64.65 -41.53 96.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.399 -0.52 . . . . 2.44 110.039 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -62.49 -41.03 98.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.735 -0.603 . . . . 6.12 109.807 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.89 -49.17 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 118.544 0.611 . . . . 2.14 109.777 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -53.47 -63.56 1.11 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.961 0.905 . . . . 1.91 109.102 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -49.26 -53.33 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 123.636 0.774 . . . . 2.18 109.941 174.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.88 -27.31 51.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.972 -1.08 . . . . 1.54 112.23 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -80.89 -62.24 1.73 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.722 0.809 . . . . 1.96 109.994 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.81 58.44 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.987 0.915 . . . . 1.93 111.951 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -43.39 95.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.821 -1.548 . . . . 2.13 106.821 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m 74.58 72.95 0.11 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.683 2.393 . . . . 3.63 111.545 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.9 tp -152.72 139.55 19.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 106.01 -1.848 . . . . 2.52 106.01 166.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 154.63 41.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.465 0.913 . . . . 1.56 113.465 -159.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.64 -44.04 37.05 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.605 1.162 . . . . 3.37 110.783 172.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -50.06 73.94 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.831 1.252 . . . . 9.09 108.684 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -54.18 44.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.824 -1.176 . . . . 4.18 107.824 -173.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mt -61.48 -39.37 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 118.586 -0.721 . . . . 2.24 110.447 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -51.53 -58.61 5.81 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 118.855 -1.138 . . . . 3.95 109.43 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.56 -42.62 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 118.461 0.573 . . . . 3.24 112.219 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.83 -52.37 66.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.454 1.101 . . . . 0.86 108.719 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.81 -39.41 90.86 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.664 -0.648 . . . . 2.51 110.643 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.93 -43.61 98.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.156 0.982 . . . . 4.71 110.005 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -52.98 61.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.727 1.211 . . . . 3.55 108.808 177.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -47.63 -45.03 27.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.098 1.359 . . . . 5.35 112.117 -165.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 . . . . . 0 CA--C 1.531 0.242 0 C-N-CA 125.698 1.599 . . . . 3.82 112.678 172.219 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.441 -0.882 0 N-CA-C 112.838 0.681 . . . . 3.5 112.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.6 164.59 15.3 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.722 -0.672 . . . . 1.53 110.572 -173.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.71 -48.66 78.28 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.492 -0.929 . . . . 6.17 108.492 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -47.57 -54.23 12.35 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.767 0.827 . . . . 2.14 109.932 170.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.58 -53.26 54.25 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 123.3 0.64 . . . . 1.73 110.36 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -58.15 -45.34 87.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 118.119 -0.943 . . . . 1.55 110.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -50.55 70.67 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.744 1.156 . . . . 1.74 109.856 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.12 -52.49 63.1 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.653 0.781 . . . . 3.67 109.404 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.88 -38.27 78.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.632 1.573 . . . . 2.15 112.71 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.72 -49.94 54.73 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.707 -1.96 . . . . 2.88 105.707 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -54.77 -48.64 72.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.629 0.772 . . . . 5.61 109.948 172.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -39.43 72.38 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.445 -0.576 . . . . 3.53 109.445 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -63.68 -39.84 95.33 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.112 -1.618 . . . . 1.85 110.67 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.44 -33.25 71.04 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.036 -0.415 . . . . 3.6 110.473 171.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -52.37 59.69 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 3.0 110.54 172.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -143.52 121.49 12.06 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.883 1.273 . . . . 2.71 109.616 -162.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -63.74 -28.96 70.24 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.869 -1.144 . . . . 5.85 111.375 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -143.26 123.77 13.99 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.418 -1.697 . . . . 2.75 106.418 167.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.69 152.07 9.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.106 0.479 . . . . 2.77 110.404 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.77 144.38 56.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.361 -1.348 . . . . 2.23 107.361 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -54.88 -41.66 71.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.898 1.226 . . . . 4.94 110.673 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -63.21 -50.69 69.27 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.827 0.74 . . . . 8.98 110.998 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -57.58 -42.13 82.52 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 121.366 0.603 . . . . 2.39 109.713 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -65.28 -39.97 93.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 121.568 -0.707 . . . . 3.3 110.043 -176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.65 -49.72 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 123.288 0.635 . . . . 2.15 109.84 171.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -63.09 1.26 Allowed 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.218 -1.03 . . . . 2.03 108.218 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -50.23 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 C-N-CA 124.403 1.081 . . . . 1.87 110.358 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.6 -47.63 39.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 120.97 -1.081 . . . . 1.54 109.569 175.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -63.73 -58.27 7.4 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.184 -0.462 . . . . 1.7 110.739 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.24 -53.5 10.72 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.836 0.827 . . . . 1.56 112.08 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -22.96 67.13 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.463 1.905 . . . . 1.81 108.943 -175.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.2 m 80.81 57.67 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.524 1.93 . . . . 2.85 110.765 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tp -139.57 -177.65 5.04 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.139 1.775 . . . . 2.69 107.49 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.2 p -110.98 158.33 18.9 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 121.17 1.804 . . . . 1.81 111.537 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -52.13 61.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.108 -1.071 . . . . 3.4 108.108 175.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -49.03 -61.88 1.83 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.116 1.366 . . . . 6.36 111.503 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.23 -47.49 83.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.52 -0.548 . . . . 4.76 109.52 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.24 -46.57 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 119.189 -0.434 . . . . 1.95 109.89 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -53.4 42.18 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.579 1.081 . . . . 4.17 109.46 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.6 -41.97 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.685 0.394 . . . . 2.76 111.098 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -61.13 -48.62 80.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.978 0.511 . . . . 0.71 110.153 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.73 -28.53 67.72 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.286 -0.884 . . . . 1.93 110.765 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.28 -44.29 96.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.836 -0.54 . . . . 3.65 110.366 168.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.28 -45.59 46.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.253 1.021 . . . . 3.45 110.047 -171.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -59.82 3.25 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.012 2.125 . . . . 6.18 111.005 -173.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 CA--C 1.535 0.373 0 C-N-CA 126.614 1.966 . . . . 5.51 116.003 172.869 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 106.112 -1.811 . . . . 3.24 106.112 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.42 163.37 30.63 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.635 1.174 . . . . 2.52 108.967 172.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -56.68 -54.96 40.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.748 -0.834 . . . . 7.04 108.748 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -49.88 -55.7 13.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.138 0.575 . . . . 2.05 110.106 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -56.97 -52.28 65.87 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 110.059 -0.349 . . . . 2.45 110.059 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -51.05 -50.23 59.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.391 0.677 . . . . 1.65 111.627 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -49.81 75.96 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.813 0.733 . . . . 2.2 109.245 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -35.53 79.06 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 121.852 -0.53 . . . . 2.85 110.037 -175.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.76 -36.83 84.35 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.254 0.621 . . . . 2.43 111.745 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -50.49 73.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.099 0.559 . . . . 2.53 110.139 171.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -44.9 70.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.784 -0.45 . . . . 4.49 109.784 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.16 -40.0 92.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.255 -0.278 . . . . 3.7 110.915 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.155 -0.966 . . . . 2.09 109.728 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.29 -17.63 64.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.93 -0.557 . . . . 6.8 112.448 173.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.53 -54.42 5.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.367 0.985 . . . . 3.68 108.527 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -138.97 119.3 13.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.28 1.432 . . . . 2.63 110.182 -164.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -60.31 -34.21 73.46 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.573 -0.704 . . . . 6.38 110.758 171.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -142.77 119.57 11.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.183 2.193 . . . . 3.18 106.154 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -65.4 162.92 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 118.42 0.554 . . . . 2.26 111.926 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -63.49 146.83 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.464 -1.31 . . . . 2.06 107.464 166.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -58.8 -43.88 90.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.012 0.824 . . . . 7.25 110.619 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -57.5 -51.68 68.46 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.86 -0.422 . . . . 6.33 109.86 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.89 -41.34 97.78 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.02 -0.733 . . . . 2.23 109.02 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG3' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.31 -44.29 92.06 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 121.724 -0.61 . . . . 3.78 111.211 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.41 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 118.443 0.565 . . . . 2.28 109.823 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.47 -63.42 1.15 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.718 0.77 . . . . 2.31 109.393 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -52.77 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 125.118 1.367 . . . . 2.15 110.114 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.65 -49.35 14.48 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.35 -0.844 . . . . 1.54 109.856 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.36 -55.7 19.38 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 123.421 0.45 . . . . 2.85 111.19 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.45 22.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 2.02 111.822 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -30.07 69.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.559 1.943 . . . . 2.83 108.824 -177.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 90.79 48.03 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.31 1.844 . . . . 2.42 111.849 163.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.18 -177.82 4.3 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.031 -1.47 . . . . 2.63 107.031 170.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.1 p -100.43 156.74 17.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.519 1.963 . . . . 1.81 110.728 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -53.52 -48.32 69.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.122 0.969 . . . . 3.41 108.996 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.4 mmt-85 -59.7 -54.12 50.08 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 125.291 1.437 . . . . 8.99 110.829 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -61.6 -38.89 89.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 121.798 -0.564 . . . . 3.75 110.554 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.5 mt -57.54 -50.78 76.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.402 0.681 . . . . 1.72 109.794 172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -51.72 -49.1 63.16 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.972 -0.455 . . . . 4.55 111.011 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 118.108 0.413 . . . . 3.07 111.203 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -56.2 -49.91 72.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.55 0.74 . . . . 0.72 109.488 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -61.62 -47.39 85.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.764 -0.458 . . . . 2.31 109.764 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -53.59 -38.76 64.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.434 0.161 . . . . 3.96 111.434 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -66.18 0.55 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.853 0.861 . . . . 3.01 109.177 168.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -51.19 -35.97 38.99 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.036 0.934 . . . . 5.33 113.358 -172.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 117.914 -1.041 . . . . 4.26 111.081 173.379 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.444 -0.576 . . . . 2.92 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 168.64 13.09 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.003 0.521 . . . . 1.71 109.964 170.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.85 -51.33 70.47 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.306 -0.628 . . . . 5.94 109.306 171.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.64 -57.03 9.2 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 108.81 -0.811 . . . . 1.91 108.81 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -53.83 -55.16 29.15 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 122.841 0.456 . . . . 1.76 110.197 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 83.5 m -54.61 -40.91 69.37 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.276 0.63 . . . . 1.6 110.927 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -50.74 72.94 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.1 0.864 . . . . 2.02 109.169 175.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.05 -40.81 95.05 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.421 -0.511 . . . . 2.61 110.791 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.4 -37.27 85.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.795 0.838 . . . . 3.17 111.98 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -51.55 68.77 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 2.71 109.576 171.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.39 -35.58 63.02 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.086 -1.009 . . . . 6.92 110.893 172.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.31 -39.66 94.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.293 1.437 . . . . 4.18 110.573 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -47.94 79.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 106.604 -1.628 . . . . 2.68 106.604 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.2 -33.98 69.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.618 0.367 . . . . 4.01 111.22 172.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -56.59 14.27 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.845 0.748 . . . . 3.25 109.426 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -152.81 136.35 15.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.165 -1.421 . . . . 2.68 107.165 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -55.66 -31.04 62.03 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.697 0.226 . . . . 5.8 111.585 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -144.6 117.6 8.84 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 106.48 -1.674 . . . . 4.46 106.48 163.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.268 0.0 OUTLIER -64.21 149.94 10.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 114.682 1.364 . . . . 3.07 114.682 -178.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -56.63 143.79 34.63 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 113.462 -1.699 . . . . 2.12 109.28 167.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -59.57 -38.46 81.21 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.846 -0.742 . . . . 4.73 111.13 -170.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -47.96 83.98 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.876 -0.73 . . . . 4.81 109.63 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -31.56 70.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.526 0.679 . . . . 3.27 109.716 -176.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -76.94 -36.81 56.28 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.918 -0.489 . . . . 3.01 111.041 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mt -55.72 -51.84 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.139 -0.689 . . . . 1.93 109.139 165.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.55 -63.37 1.17 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.529 1.532 . . . . 2.28 109.845 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.3 -48.25 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 123.788 0.835 . . . . 2.29 110.387 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.09 56.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.805 1.184 . . . . 1.57 110.66 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -64.66 -51.43 62.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.616 0.246 . . . . 2.27 110.36 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -56.42 4.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.329 1.061 . . . . 1.83 112.019 -175.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.23 -20.61 66.16 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.606 2.762 . . . . 2.29 109.177 -176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 m 77.65 61.13 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.262 1.825 . . . . 3.07 110.453 166.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 tp -142.78 -148.18 0.23 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.194 1.398 . . . . 2.77 108.17 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -145.7 148.0 32.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 119.896 1.225 . . . . 1.74 110.264 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.86 -46.93 43.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.744 2.018 . . . . 3.35 112.46 -173.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -71.71 -45.37 62.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.776 0.831 . . . . 6.63 110.246 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.58 -40.27 82.68 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.695 -0.628 . . . . 3.44 110.864 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.6 mt -55.8 -47.14 79.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.121 0.569 . . . . 1.77 109.93 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -54.08 -48.64 70.44 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.781 -0.574 . . . . 5.15 109.988 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.03 -47.02 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 118.627 -0.701 . . . . 3.23 110.712 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.29 -50.39 67.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.673 1.124 . . . . 0.82 109.685 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.6 -50.11 68.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.452 0.701 . . . . 2.39 110.508 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -55.22 -45.42 75.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.847 1.259 . . . . 4.53 110.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -61.06 2.5 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.101 1.36 . . . . 3.22 110.103 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -56.36 -47.04 79.68 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.059 0.944 . . . . 5.76 110.819 -172.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 113.547 0.943 . . . . 5.23 113.547 179.376 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.433 -1.292 0 CA-C-O 121.235 0.54 . . . . 2.97 110.201 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.08 165.77 29.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.77 1.628 . . . . 1.93 108.258 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -56.03 -51.29 68.34 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.019 -0.734 . . . . 9.01 109.019 171.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -50.92 -54.43 24.19 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.21 0.604 . . . . 2.27 110.289 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 9.4 mt-30 -57.62 -52.06 66.95 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 109.567 -0.531 . . . . 1.74 109.567 -173.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 m -52.06 -48.23 64.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.571 -0.741 . . . . 1.99 110.237 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -47.41 80.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.465 -0.779 . . . . 2.46 110.654 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.82 -44.54 92.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.709 1.14 . . . . 3.14 109.828 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -54.65 -46.15 73.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.919 0.39 . . . . 2.48 111.885 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -46.06 85.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.797 0.839 . . . . 2.42 110.801 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -53.94 -49.81 67.85 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.147 -0.971 . . . . 4.22 109.289 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.61 -38.99 79.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.67 1.188 . . . . 3.39 110.758 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.62 -43.11 97.82 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.795 -0.565 . . . . 1.51 110.883 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -62.35 -32.05 72.78 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.866 -0.522 . . . . 3.34 110.49 173.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -47.81 79.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.699 -0.852 . . . . 3.58 108.699 176.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -165.66 154.01 11.3 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 122.763 0.425 . . . . 3.2 110.645 -172.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -82.41 -19.42 39.07 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.863 0.465 . . . . 4.86 111.442 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -137.93 125.17 21.68 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.164 1.785 . . . . 3.07 106.568 172.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.1 155.04 4.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 118.619 0.645 . . . . 2.8 109.834 178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.29 146.75 53.81 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 106.744 -1.576 . . . . 2.0 106.744 169.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -63.19 -35.98 82.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 117.97 -1.492 . . . . 4.6 110.837 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -55.74 16.63 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.049 -0.722 . . . . 5.57 109.049 174.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -65.68 -39.48 91.35 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.562 -0.455 . . . . 2.66 110.483 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.3 ttm105 -64.25 -44.35 92.06 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 120.483 -1.386 . . . . 3.47 110.534 -172.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.44 -47.16 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.759 -0.46 . . . . 1.97 109.759 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.52 -62.85 1.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.769 1.628 . . . . 1.73 109.316 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -64.84 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 C-N-CA 126.698 1.999 . . . . 2.89 107.725 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.77 -45.81 14.84 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 119.8 1.182 . . . . 1.88 110.991 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -64.75 -52.54 56.45 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.653 -1.158 . . . . 1.84 110.138 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.43 75.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.821 0.448 . . . . 1.94 111.999 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -81.74 -27.5 33.82 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 106.749 -1.574 . . . . 2.66 106.749 -163.149 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 79.97 44.81 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.867 2.067 . . . . 3.07 109.021 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.7 tp -156.66 141.49 17.02 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 108.089 -1.078 . . . . 2.91 108.089 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -77.33 155.26 32.1 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.105 0.78 . . . . 1.75 113.105 -159.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -59.1 -39.98 83.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.069 -0.715 . . . . 3.17 109.069 172.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -51.85 -58.58 6.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.108 0.963 . . . . 6.12 110.117 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -54.31 -49.81 68.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.874 0.47 . . . . 4.33 110.69 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.45 -48.19 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.833 0.853 . . . . 2.02 110.879 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -50.86 -50.97 55.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.897 0.879 . . . . 4.14 109.277 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mp -62.43 -54.98 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-O 118.203 -0.903 . . . . 2.56 109.555 173.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -47.89 -49.43 29.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 119.806 1.185 . . . . 0.85 110.572 -171.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -64.42 -40.18 95.26 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.546 0.738 . . . . 1.87 112.0 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -62.17 -42.1 98.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.45 1.1 . . . . 4.67 110.954 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.279 2.232 . . . . 4.08 109.605 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -46.61 -54.54 9.28 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.473 1.909 . . . . 5.16 111.278 -167.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 113.875 1.065 . . . . 3.62 113.875 -175.048 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 104.462 -2.421 . . . . 3.24 104.462 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.99 169.83 12.33 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.766 1.626 . . . . 2.28 107.489 170.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -48.96 79.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.143 -1.058 . . . . 6.78 108.143 173.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -50.94 -57.29 8.91 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 118.407 0.548 . . . . 2.0 110.378 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.15 -57.71 10.11 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.68 0.752 . . . . 2.27 109.032 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -53.19 -34.18 55.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.465 -1.255 . . . . 1.9 112.62 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -47.92 69.87 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 121.393 1.906 . . . . 1.82 108.601 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.97 -40.06 94.29 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.563 0.697 . . . . 3.09 109.662 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.44 -49.71 75.74 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.094 0.957 . . . . 2.86 111.559 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.9 -57.94 3.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.409 2.284 . . . . 3.99 111.495 173.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -61.87 -44.78 96.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.206 -0.598 . . . . 4.61 111.315 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 30' ' ' ARG . 4.0 tp10 -59.78 -37.77 80.01 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-O 121.529 0.68 . . . . 3.89 110.221 177.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.39 -46.03 88.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.96 -0.462 . . . . 1.63 110.435 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.62 -34.61 69.49 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 110.514 -0.18 . . . . 3.41 110.514 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.87 -51.22 65.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.585 0.754 . . . . 3.44 110.33 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.54 110.99 0.67 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.212 1.005 . . . . 2.73 110.325 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -65.61 -10.47 35.95 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.216 1.406 . . . . 4.88 112.19 -173.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -125.18 95.88 4.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 105.635 -1.987 . . . . 3.36 105.635 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.21 151.01 10.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.278 -0.569 . . . . 2.82 110.688 -171.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -62.08 149.02 42.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.886 -1.153 . . . . 2.05 107.886 170.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -54.32 -49.12 70.43 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.816 0.734 . . . . 6.14 109.981 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -52.66 -57.95 8.42 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 108.863 -0.792 . . . . 5.05 108.863 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 19' ' ' GLU . 2.9 tpt85 -57.33 -36.84 71.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.609 0.568 . . . . 3.27 110.24 -175.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -71.83 -49.96 33.78 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.726 -0.609 . . . . 3.79 111.261 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.13 -41.78 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 119.488 1.04 . . . . 3.5 109.16 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.405 ' CG ' HH12 ' A' ' 30' ' ' ARG . 0.7 OUTLIER -53.37 -63.05 1.27 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.901 1.28 . . . . 1.91 107.569 178.574 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -51.89 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 C-N-CA 122.328 0.251 . . . . 2.47 110.667 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.96 -38.81 24.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.142 0.428 . . . . 1.62 110.345 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.85 -68.73 0.46 Allowed 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.272 0.357 . . . . 1.85 110.18 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.36 80.13 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.138 0.975 . . . . 1.65 112.581 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 tt -78.76 -15.07 58.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.522 1.529 . . . . 2.19 109.855 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t 59.76 73.81 0.47 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.448 1.099 . . . . 2.85 109.933 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.79 -149.54 0.29 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 106.582 -1.636 . . . . 2.57 106.582 166.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -154.19 165.06 37.44 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 120.741 1.61 . . . . 1.56 110.514 172.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.48 -46.65 66.15 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.531 1.132 . . . . 5.6 112.561 -159.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.73 -40.55 97.55 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.173 -0.677 . . . . 8.69 109.173 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.39 -50.66 73.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.923 0.889 . . . . 5.09 109.238 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.61 -45.34 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 1.75 110.552 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.88 -51.36 61.43 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.236 -1.024 . . . . 4.67 108.236 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.2 -46.19 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.656 0.782 . . . . 3.22 111.274 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -58.83 -51.37 70.3 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 118.898 0.772 . . . . 0.79 109.195 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.96 -33.75 76.53 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.542 1.137 . . . . 2.19 111.805 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -61.47 -47.9 83.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.567 0.747 . . . . 4.5 109.603 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.87 -44.44 69.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.127 1.371 . . . . 3.28 108.782 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 tpt85 -49.31 -39.42 31.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.322 2.649 . . . . 5.18 112.413 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 124.065 0.946 . . . . 3.73 112.153 176.162 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--O 1.231 0.098 0 N-CA-C 108.324 -0.991 . . . . 2.91 108.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.48 163.42 23.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.772 0.796 . . . . 2.22 112.224 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -54.51 -47.97 72.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.596 -0.729 . . . . 6.14 109.273 169.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -63.48 -45.65 89.76 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-O 118.858 -0.592 . . . . 3.44 110.168 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -53.84 -51.04 64.84 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.114 -0.699 . . . . 1.99 109.114 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -59.83 -44.44 94.04 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.251 0.621 . . . . 1.66 111.597 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -47.68 81.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.396 0.998 . . . . 1.98 110.032 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -53.92 -48.77 69.85 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 124.365 1.066 . . . . 2.91 108.207 175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -42.17 98.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.826 0.85 . . . . 2.1 112.139 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.59 -46.6 78.76 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.88 -1.137 . . . . 2.91 111.452 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -32.29 73.88 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.836 -1.165 . . . . 4.58 110.245 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.58 -37.89 79.71 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 121.327 -0.858 . . . . 3.58 110.451 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.77 94.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.782 -1.192 . . . . 2.92 107.782 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.51 -34.93 73.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 122.016 -0.428 . . . . 3.47 111.297 172.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.9 -44.71 92.18 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.82 0.848 . . . . 2.89 109.736 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -170.45 148.39 3.13 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.598 1.159 . . . . 3.0 109.209 -175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -69.15 -29.94 68.07 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.446 -0.784 . . . . 5.39 111.163 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.47 141.84 28.71 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.457 1.503 . . . . 3.63 107.044 171.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -87.88 162.02 2.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.547 0.689 . . . . 2.38 112.615 -165.74 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.65 146.2 55.1 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.104 -1.443 . . . . 2.38 107.104 165.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -63.89 -36.05 82.67 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 118.544 -1.263 . . . . 5.36 110.762 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -54.82 -52.17 63.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.322 0.51 . . . . 5.71 110.406 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.66 -45.48 86.56 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.113 -0.699 . . . . 2.68 109.113 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG3' ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -59.31 -40.9 87.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.126 -0.359 . . . . 3.85 110.731 -177.228 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.58 -46.75 94.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 123.287 0.635 . . . . 2.51 110.366 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -63.03 1.28 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.55 -0.907 . . . . 2.31 108.55 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mm -40.14 -67.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 125.835 1.654 . . . . 2.56 110.542 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.82 -42.5 7.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.161 -0.962 . . . . 1.98 111.685 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -69.57 -45.7 68.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.67 0.388 . . . . 2.16 111.654 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.99 -51.04 5.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.881 1.324 . . . . 1.94 110.414 -172.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -14.29 62.83 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 128.227 2.611 . . . . 2.33 109.867 -177.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m 66.91 37.36 4.0 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 124.793 1.237 . . . . 2.7 111.603 165.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp -117.69 -163.96 0.97 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.649 -0.871 . . . . 2.31 108.649 163.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -144.2 148.82 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.933 1.242 . . . . 1.7 110.826 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -48.56 -49.16 37.6 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 123.596 0.758 . . . . 3.38 112.777 -171.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -56.76 -47.99 78.85 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 123.905 0.882 . . . . 5.75 110.777 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -48.9 79.93 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.291 1.036 . . . . 5.77 108.387 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -64.08 -46.92 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 124.971 1.309 . . . . 1.76 110.355 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -51.79 -53.0 44.75 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.94 -0.763 . . . . 5.56 108.94 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.64 -46.71 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.103 0.561 . . . . 2.56 110.414 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -55.56 -50.53 69.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.156 0.889 . . . . 0.75 109.812 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -56.67 -48.51 77.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.486 -0.561 . . . . 2.23 109.486 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -49.86 -55.01 15.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.035 0.834 . . . . 5.29 109.615 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.37 -46.13 46.76 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 125.906 1.682 . . . . 3.3 111.325 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.62 62.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.497 1.519 . . . . 5.75 110.9 -171.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 N--CA 1.469 0.513 0 C-N-CA 124.461 1.104 . . . . 5.38 111.863 -176.825 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.434 -1.254 0 CA-C-O 121.57 0.7 . . . . 3.21 111.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.63 170.75 15.33 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.718 1.607 . . . . 1.92 108.319 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.17 -56.16 20.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.605 -0.887 . . . . 4.67 108.605 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.41 -55.5 18.34 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.033 0.533 . . . . 1.88 110.004 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -53.97 -52.48 60.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.912 0.387 . . . . 1.64 110.697 -175.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 m -58.87 -43.48 90.87 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.611 -0.709 . . . . 1.76 110.697 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.32 90.0 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.808 1.185 . . . . 1.78 109.295 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -53.82 -54.79 33.44 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.094 -1.076 . . . . 3.51 108.094 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.78 -33.68 73.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.828 1.651 . . . . 2.37 112.594 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -51.64 30.81 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.927 -1.138 . . . . 2.32 107.927 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 51.31 0.89 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.794 1.283 . . . . 4.39 111.236 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.45 -38.81 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 129.759 3.224 . . . . 3.11 105.609 -172.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -63.15 -33.57 75.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.708 -1.245 . . . . 1.39 109.408 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.18 -30.9 71.45 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.963 -1.086 . . . . 4.15 111.337 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -64.99 -61.41 2.17 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.422 1.489 . . . . 2.91 110.044 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.63 108.08 0.09 Allowed 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.292 1.037 . . . . 2.47 109.019 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -56.31 23.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 121.371 0.605 . . . . 8.59 110.88 -168.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -78.07 90.55 4.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.609 -1.626 . . . . 2.99 106.609 167.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.56 151.09 9.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.884 0.373 . . . . 2.84 110.856 -171.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -57.48 144.31 37.26 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 107.428 -1.323 . . . . 2.08 107.428 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -56.82 -43.85 81.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.372 0.987 . . . . 8.99 110.195 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -61.53 -47.7 84.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.625 -0.43 . . . . 7.46 110.157 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -60.41 -43.74 96.41 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 109.509 -0.552 . . . . 2.68 109.509 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -63.77 -41.95 97.89 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.771 -0.581 . . . . 3.35 109.457 -175.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.44 -49.49 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.655 0.661 . . . . 2.42 110.243 172.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -63.0 1.29 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.361 1.064 . . . . 2.0 108.134 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.63 -53.53 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 124.348 1.059 . . . . 2.25 110.74 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.44 18.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.952 0.796 . . . . 1.74 110.138 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.66 -69.5 0.32 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.706 -0.679 . . . . 1.79 110.381 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.02 79.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.172 0.989 . . . . 1.51 112.853 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 -8.35 59.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.274 1.83 . . . . 2.12 110.078 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 51.99 63.93 2.05 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.449 1.499 . . . . 2.85 113.016 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -147.02 157.53 43.64 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.548 -0.908 . . . . 2.92 108.548 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 p -83.02 147.87 27.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.36 0.982 . . . . 1.96 109.988 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -39.83 90.9 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 124.856 1.262 . . . . 4.71 110.65 -175.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.53 -51.81 67.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.505 0.722 . . . . 6.03 109.826 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.58 -42.95 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.835 0.854 . . . . 5.06 109.983 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.57 -51.98 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.163 1.385 . . . . 1.87 110.418 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -51.06 -48.33 61.59 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.004 0.82 . . . . 4.04 108.817 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.17 -48.42 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 118.248 -0.882 . . . . 3.28 110.469 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -54.15 -48.56 70.74 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.044 1.293 . . . . 0.67 110.957 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -70.42 -19.06 63.02 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.547 -0.721 . . . . 1.89 111.864 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -55.87 10.4 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.835 -0.802 . . . . 4.16 108.835 163.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -55.48 8.6 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.636 1.974 . . . . 2.94 111.784 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -50.73 8.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.568 1.947 . . . . 6.25 111.136 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 112.998 0.74 . . . . 5.23 112.998 178.738 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 105.373 -2.084 . . . . 3.37 105.373 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.67 169.69 17.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.606 1.162 . . . . 2.38 108.092 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -58.0 -54.61 44.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.697 -0.853 . . . . 6.83 108.697 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -49.95 -54.57 19.01 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.868 0.867 . . . . 2.0 110.062 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.74 -62.57 1.57 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 119.146 -0.454 . . . . 4.34 110.488 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.2 m -46.74 -44.16 18.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.495 -0.764 . . . . 2.09 111.165 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -53.48 57.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.705 1.138 . . . . 2.03 109.828 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.61 -45.66 81.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.351 1.072 . . . . 3.13 110.301 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.33 -32.12 73.6 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.86 2.064 . . . . 2.75 111.684 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -43.56 63.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.678 1.126 . . . . 2.4 108.564 176.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -50.26 67.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.879 0.847 . . . . 4.75 109.199 171.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.18 -34.0 72.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.877 0.871 . . . . 3.6 112.343 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.84 -50.38 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.458 -0.777 . . . . 1.56 110.004 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -54.37 -37.05 64.54 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.949 0.499 . . . . 4.13 110.405 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -63.63 -61.47 2.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.988 0.515 . . . . 3.21 110.322 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -155.07 105.52 2.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 123.919 0.887 . . . . 3.09 109.349 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptt85 -63.18 -8.66 8.53 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.474 1.11 . . . . 4.94 111.724 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -135.32 91.05 2.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.265 2.226 . . . . 3.24 105.064 167.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.36 149.13 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.438 -0.788 . . . . 2.8 109.881 -173.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.81 149.58 46.61 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.953 -1.023 . . . . 1.84 108.694 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 -55.17 -47.01 75.76 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 120.866 1.666 . . . . 5.48 110.354 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -56.07 -51.4 68.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.96 -0.385 . . . . 6.06 109.96 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.77 85.92 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.634 -0.506 . . . . 4.14 109.634 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -60.76 -43.69 97.69 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.758 0.823 . . . . 3.2 110.214 -174.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.4 -45.73 85.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 O-C-N 121.513 -0.742 . . . . 2.48 110.227 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.8 -63.04 1.28 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.999 -0.741 . . . . 1.94 108.999 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -61.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 126.099 1.76 . . . . 2.67 108.215 175.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.36 -42.84 32.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.92 0.782 . . . . 1.68 111.143 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -63.03 -55.93 21.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.539 -0.541 . . . . 2.38 109.539 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.35 70.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.174 0.59 . . . . 1.7 112.334 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -4.9 58.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.448 1.099 . . . . 2.47 108.325 -171.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.5 t 62.39 43.22 8.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.134 1.774 . . . . 2.9 112.011 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tp -134.27 -147.89 0.3 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.983 1.313 . . . . 2.77 111.477 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.4 p -153.34 156.26 38.0 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.092 -1.005 . . . . 1.59 111.822 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.52 -45.29 77.13 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.251 1.02 . . . . 3.48 110.064 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.56 -54.02 46.83 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.583 1.153 . . . . 8.73 110.765 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -57.35 -50.86 71.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.35 0.66 . . . . 3.67 109.78 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.17 -44.95 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.771 -0.65 . . . . 1.79 110.618 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -51.07 61.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.1 0.56 . . . . 5.4 109.75 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -58.12 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 118.166 -0.921 . . . . 2.8 110.12 173.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -47.64 -48.2 28.86 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.306 -0.627 . . . . 0.83 109.306 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -54.73 32.52 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.421 1.488 . . . . 2.34 111.476 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -49.87 -46.7 51.79 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.569 0.622 . . . . 3.56 110.342 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -56.48 21.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.478 1.911 . . . . 4.7 110.592 174.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -44.46 -40.02 5.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.865 1.666 . . . . 5.21 114.641 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 3.81 112.23 177.781 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 105.286 -2.116 . . . . 4.07 105.286 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.65 163.74 20.77 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.221 -0.592 . . . . 1.52 111.058 167.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.68 -53.52 53.82 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.889 -0.782 . . . . 4.6 108.889 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.85 -48.35 75.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.156 -0.475 . . . . 3.17 110.016 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -56.43 -55.18 36.77 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.34 -0.985 . . . . 3.08 108.34 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -51.22 -48.85 61.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.641 0.655 . . . . 1.68 112.162 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -47.81 82.23 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.551 -0.718 . . . . 2.05 109.498 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -62.31 -41.75 98.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.447 0.699 . . . . 2.77 110.359 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.3 -38.04 79.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.716 1.207 . . . . 3.28 110.927 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -41.68 77.41 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.247 -1.533 . . . . 3.18 108.525 175.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -59.8 -35.45 74.7 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.855 -1.153 . . . . 4.06 111.22 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -62.49 -41.06 98.54 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.972 1.709 . . . . 4.08 110.35 172.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.04 -46.11 89.08 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.396 -1.335 . . . . 2.38 107.396 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -39.42 79.18 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.507 0.723 . . . . 6.77 111.527 171.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -63.67 -37.69 88.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.207 1.003 . . . . 2.53 108.679 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.21 119.43 0.09 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.822 1.649 . . . . 3.07 108.431 -175.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -56.38 -40.13 74.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.325 -0.369 . . . . 5.44 110.44 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -118.77 101.06 7.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.447 1.099 . . . . 4.66 108.484 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.6 143.16 15.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.306 0.642 . . . . 3.96 110.337 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -57.31 152.55 13.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.755 -0.657 . . . . 1.98 109.407 161.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -56.36 -41.23 75.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.957 -0.697 . . . . 4.76 110.243 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -50.99 71.21 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.459 0.572 . . . . 4.51 111.106 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -59.58 -39.93 85.75 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.359 0.599 . . . . 2.68 109.653 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -64.7 -43.47 93.38 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.396 -0.366 . . . . 3.81 111.457 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -59.19 -49.02 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.29 0.636 . . . . 2.39 109.708 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.81 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 126.445 1.898 . . . . 2.06 108.75 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.03 -55.77 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.87 0.868 . . . . 2.41 110.787 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.25 18.9 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.922 1.237 . . . . 1.69 110.807 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -67.37 -59.36 3.46 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.349 0.66 . . . . 1.78 110.692 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.27 13.76 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.552 1.168 . . . . 1.87 111.298 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -15.14 63.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.277 2.231 . . . . 2.05 109.54 -175.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.7 m 75.34 51.99 0.07 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.474 1.509 . . . . 3.35 111.478 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.19 -178.98 5.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.25 -0.278 . . . . 4.15 110.25 173.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.56 135.57 48.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.597 0.237 . . . . 1.98 110.56 -173.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.12 -50.29 8.63 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.596 1.558 . . . . 4.53 112.422 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -40.45 89.76 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.135 -0.978 . . . . 10.28 111.236 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.8 -45.26 95.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 122.105 0.955 . . . . 3.96 109.983 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -47.37 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 C-N-CA 125.127 1.371 . . . . 3.5 109.244 172.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -52.99 -53.68 46.35 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.588 -0.893 . . . . 4.9 108.588 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.5 mt -59.18 -42.61 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 122.793 0.437 . . . . 3.26 110.625 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -55.8 -55.49 31.77 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.843 0.457 . . . . 0.57 110.276 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.41 -48.89 76.02 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.272 1.429 . . . . 2.07 110.227 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -46.99 80.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.474 1.11 . . . . 3.88 109.367 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -59.51 4.68 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.437 -1.32 . . . . 3.36 107.437 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -51.22 -45.7 62.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.943 1.297 . . . . 5.78 110.73 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.347 0.467 0 C-N-CA 126.817 2.047 . . . . 5.2 114.784 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 106.602 -1.629 . . . . 3.47 106.602 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 168.78 19.33 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.893 2.077 . . . . 1.89 105.876 173.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.98 46.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.487 -0.931 . . . . 6.47 108.487 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -56.25 7.94 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 124.025 0.93 . . . . 3.96 110.528 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -55.87 25.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.834 0.349 . . . . 2.33 110.669 -173.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -55.02 -45.08 75.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.284 -0.865 . . . . 1.93 111.206 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -51.48 65.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 119.925 1.238 . . . . 2.09 110.227 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -55.56 -52.97 61.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.824 0.821 . . . . 3.26 109.094 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.2 -35.76 74.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.755 -0.657 . . . . 2.18 112.722 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -38.43 71.62 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.698 0.681 . . . . 2.36 109.723 178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.68 -47.83 81.22 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.441 -0.787 . . . . 6.33 110.111 169.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.59 -41.02 80.34 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 122.727 1.251 . . . . 3.35 111.199 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -63.39 -37.84 88.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 1.9 110.588 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.96 -27.38 68.8 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.752 -0.593 . . . . 3.38 110.963 170.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -52.57 60.19 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.555 -0.905 . . . . 3.25 108.555 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -168.66 166.19 11.89 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 2.92 110.084 -170.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -96.35 3.62 52.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.427 1.091 . . . . 6.43 111.725 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -171.71 88.48 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.613 1.565 . . . . 3.5 108.265 -167.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.39 140.93 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.249 -1.019 . . . . 3.45 108.249 -173.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -56.02 151.23 12.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.732 0.696 . . . . 2.36 110.959 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.421 0.555 . . . . 5.76 110.425 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.79 85.02 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.752 0.706 . . . . 5.12 109.853 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.63 -32.71 74.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.426 0.69 . . . . 4.21 110.06 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -77.71 -35.58 51.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.425 1.09 . . . . 3.72 111.087 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.9 -46.37 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 1.98 108.71 169.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.53 -63.2 1.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.106 1.763 . . . . 1.89 109.034 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.12 -52.73 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 123.434 0.693 . . . . 2.12 111.071 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.52 -41.02 28.79 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.545 1.066 . . . . 1.61 110.595 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.19 -54.64 11.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.481 -0.327 . . . . 2.07 110.72 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.83 67.21 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 1.84 111.755 -175.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -42.21 86.36 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.027 1.731 . . . . 2.12 108.663 -175.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t 95.61 72.35 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.556 2.743 . . . . 2.5 110.102 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 tp -158.59 -162.34 1.1 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.293 1.437 . . . . 2.57 108.055 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.0 p -133.74 156.96 47.02 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 120.707 1.594 . . . . 1.3 112.347 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.51 -32.79 72.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 4.03 111.57 -173.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -64.38 -51.7 61.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.557 -1.339 . . . . 6.46 109.947 172.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.57 -51.29 67.92 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.959 1.304 . . . . 3.79 109.458 -172.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -58.62 -47.12 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 124.19 0.996 . . . . 2.34 110.652 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -55.83 -46.34 78.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 118.743 -0.646 . . . . 5.75 111.337 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.6 mt -54.86 -56.94 8.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 118.721 0.692 . . . . 3.19 109.309 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -49.86 -47.12 51.96 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.969 -0.539 . . . . 0.64 109.95 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.08 -58.13 10.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.247 0.619 . . . . 2.27 110.761 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -48.51 -43.72 35.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.065 0.946 . . . . 4.56 110.897 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -65.34 0.71 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.85 1.66 . . . . 4.33 110.149 172.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.7 tpt85 -51.85 -39.38 58.79 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.829 2.052 . . . . 5.44 114.184 -173.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 113.92 1.082 . . . . 6.47 113.92 -168.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.437 -1.098 0 CA-C-O 120.746 0.307 . . . . 3.15 110.792 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 161.09 29.86 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 2.68 111.671 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -57.83 -51.05 71.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.445 -0.946 . . . . 6.28 108.445 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.41 -47.72 62.87 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 123.451 0.7 . . . . 2.16 110.23 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.59 -56.32 18.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.061 -0.718 . . . . 1.56 109.061 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 m -56.58 -47.63 79.13 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.981 0.512 . . . . 1.76 111.403 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -48.63 79.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.113 0.565 . . . . 2.19 109.901 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -54.24 -43.32 70.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.278 1.431 . . . . 3.04 109.163 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.22 -42.11 84.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.54 1.136 . . . . 2.28 112.486 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -36.57 70.0 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.4 -1.333 . . . . 3.11 107.4 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -59.28 -48.58 81.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.731 -1.231 . . . . 3.76 110.045 170.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -56.6 -36.23 69.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.986 -1.071 . . . . 3.22 111.612 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.38 -42.76 98.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.273 -0.876 . . . . 1.68 109.043 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.76 -25.62 66.63 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 119.09 -0.481 . . . . 3.41 111.631 170.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -58.63 6.29 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 107.972 -1.121 . . . . 3.19 107.972 175.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -158.89 135.51 9.41 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.652 -1.61 . . . . 3.69 106.652 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -60.72 -19.77 59.58 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.408 0.549 . . . . 7.08 110.987 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -133.99 97.42 3.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.452 1.901 . . . . 2.98 109.617 168.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.34 155.07 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 109.004 -0.739 . . . . 3.89 109.004 165.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.75 152.92 37.98 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.429 0.691 . . . . 2.21 110.647 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.54 -52.34 65.96 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.329 -0.857 . . . . 7.24 109.911 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -40.8 -55.95 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.99 1.316 . . . . 4.47 110.129 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -70.09 -38.65 75.74 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 119.658 -0.817 . . . . 2.83 109.941 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm105 -59.82 -47.99 83.47 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.714 1.143 . . . . 5.31 111.736 -172.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.39 -56.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 122.211 1.005 . . . . 3.51 109.381 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.09 -63.05 1.27 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.179 2.592 . . . . 3.47 109.026 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -59.36 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 126.244 1.817 . . . . 2.74 108.773 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.19 -38.85 63.2 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 119.396 0.998 . . . . 2.02 110.717 -173.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.09 -60.41 3.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.169 0.918 . . . . 2.29 108.686 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.75 67.7 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.56 0.948 . . . . 2.01 113.56 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 -4.18 53.7 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 2.03 109.147 -170.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.61 40.5 4.46 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.487 1.515 . . . . 3.68 112.449 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -121.29 -140.3 0.33 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 107.68 -1.23 . . . . 2.56 107.68 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 p -151.61 168.45 24.91 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 120.773 1.624 . . . . 1.69 109.437 169.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -65.65 -39.21 91.14 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.249 1.024 . . . . 3.49 109.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -59.51 5.23 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.641 0.776 . . . . 10.36 109.018 171.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.53 -39.92 92.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.098 -0.477 . . . . 4.42 111.554 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.91 -54.61 32.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 N-CA-C 108.596 -0.89 . . . . 1.88 108.596 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -51.43 -49.02 62.48 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.546 0.612 . . . . 5.76 110.907 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.4 mt -63.19 -42.94 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.314 0.645 . . . . 2.88 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -59.03 -49.57 77.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.417 0.687 . . . . 0.74 110.114 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.59 -53.97 51.36 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.291 -1.003 . . . . 1.76 108.291 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -47.05 -54.22 10.81 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.778 -0.453 . . . . 3.9 109.778 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.78 -45.65 89.35 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.664 1.186 . . . . 3.77 108.861 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -83.74 -5.58 59.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.102 1.361 . . . . 6.46 112.091 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 . . . . . 0 CA--C 1.508 -0.662 0 N-CA-C 106.175 -1.787 . . . . 4.37 106.175 158.913 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 . . . . . 0 C--O 1.237 0.412 0 CA-C-O 122.162 0.982 . . . . 4.13 113.462 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.55 157.23 37.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.655 -0.702 . . . . 2.22 110.205 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -54.12 -52.22 61.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.386 -0.968 . . . . 5.11 108.386 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -52.79 -45.94 67.41 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.494 0.496 . . . . 3.09 110.623 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.01 -57.83 9.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.173 0.511 . . . . 1.69 110.528 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -60.3 -46.49 89.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 119.207 -0.425 . . . . 1.76 111.252 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -47.84 80.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.881 0.764 . . . . 1.67 109.216 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.1 -53.28 55.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.638 1.175 . . . . 3.04 108.572 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.346 0.658 . . . . 2.29 112.636 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.13 -47.74 64.27 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 121.02 -1.05 . . . . 2.57 108.863 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -62.9 -35.66 80.79 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.999 -1.063 . . . . 3.8 111.863 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -54.08 -49.37 69.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.468 1.107 . . . . 3.73 108.783 171.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -63.69 -42.48 98.0 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.072 0.549 . . . . 2.55 110.912 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.82 -31.11 72.04 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.03 0.532 . . . . 3.7 110.808 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.86 -50.58 68.28 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.234 -1.025 . . . . 3.71 108.234 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -169.39 162.61 10.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.632 -1.247 . . . . 3.04 107.632 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -87.66 5.91 37.35 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.767 1.025 . . . . 6.81 113.767 -170.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 177.14 104.23 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.32 1.418 . . . . 3.09 107.841 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.3 173.85 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 4.12 109.884 -161.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.26 144.39 55.65 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 119.34 0.973 . . . . 2.92 108.877 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -57.17 -44.73 83.8 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.073 0.852 . . . . 5.28 110.021 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.5 tpt85 -49.33 -51.72 32.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.025 0.375 . . . . 5.28 110.477 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -71.99 -35.73 69.56 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.508 0.505 . . . . 2.98 111.086 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -34.32 65.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.532 -1.355 . . . . 6.93 109.815 -177.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -59.2 -53.24 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 107.944 -1.132 . . . . 2.25 107.944 165.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -53.85 -62.99 1.29 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 105.625 -1.991 . . . . 2.51 105.625 -167.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 126.528 1.931 . . . . 1.91 108.957 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.91 52.79 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.894 0.77 . . . . 2.09 110.164 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -62.49 -36.39 82.35 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.057 -0.974 . . . . 2.55 110.407 -175.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.38 26.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 1.89 112.628 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -28.84 26.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.199 0.999 . . . . 2.06 108.616 -163.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t 79.55 41.12 0.08 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.629 1.571 . . . . 2.94 111.486 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.4 159.94 26.49 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 105.389 -2.078 . . . . 2.58 105.389 163.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.7 p -85.02 162.8 19.2 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 119.234 -0.987 . . . . 2.2 110.743 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.67 55.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.915 -0.772 . . . . 3.67 108.915 174.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.61 88.18 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.521 1.129 . . . . 6.73 108.977 -176.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.03 -44.55 88.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.862 -0.589 . . . . 4.02 110.899 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.8 mt -59.06 -49.62 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 119.313 0.96 . . . . 2.27 110.537 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -46.62 -56.09 6.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.007 -0.433 . . . . 4.44 110.459 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.34 -40.25 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.173 0.442 . . . . 3.11 111.738 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -58.69 -53.27 60.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.091 0.956 . . . . 0.58 108.784 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -58.37 -49.23 77.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.42 -0.355 . . . . 1.82 110.57 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.409 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 53.3 tt0 -55.73 -37.05 67.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.028 0.931 . . . . 4.84 110.778 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -69.61 -42.76 73.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.782 0.833 . . . . 3.48 109.984 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -53.21 50.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.864 0.866 . . . . 6.46 109.638 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.409 ' CD ' ' HA ' ' A' ' 50' ' ' GLN . 7.1 ptm85 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 115.385 1.624 . . . . 4.6 115.385 -166.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 110.072 -0.344 . . . . 4.0 110.072 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.45 163.75 31.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.745 2.418 . . . . 1.93 105.791 170.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -54.29 -51.34 64.91 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.271 -0.64 . . . . 5.3 109.271 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.27 -54.34 21.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.994 0.918 . . . . 1.87 110.172 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -56.66 15.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.503 0.321 . . . . 2.59 110.974 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -53.79 -41.94 67.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.538 -0.744 . . . . 1.92 111.106 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -50.11 74.93 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.516 1.053 . . . . 1.65 109.518 177.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -57.69 -45.16 86.04 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.235 0.47 . . . . 3.11 110.002 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.88 -42.0 99.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.076 0.95 . . . . 2.26 112.538 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.25 -54.12 47.49 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.1 -1.0 . . . . 3.72 109.904 170.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -56.12 -39.14 71.75 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 122.2 -0.313 . . . . 5.63 111.305 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.95 -35.64 61.96 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.145 1.378 . . . . 4.19 111.077 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -63.68 -25.8 68.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 122.55 0.34 . . . . 1.68 110.688 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -84.17 -21.1 31.42 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.302 1.041 . . . . 3.87 111.22 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.85 -38.47 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.417 -0.957 . . . . 3.22 108.417 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 p30 173.7 174.55 0.15 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.964 2.506 . . . . 2.49 106.803 161.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -72.26 -14.46 61.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.277 0.843 . . . . 5.99 113.277 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -175.68 109.04 0.1 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 107.539 -1.282 . . . . 5.55 107.539 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.271 0.0 OUTLIER -73.33 146.1 10.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 119.101 -1.039 . . . . 3.05 113.718 -168.388 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -56.36 143.87 32.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 112.867 -1.969 . . . . 2.6 109.289 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -61.34 -34.18 74.85 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.044 -0.662 . . . . 5.36 111.541 -169.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.97 -48.75 80.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.511 0.596 . . . . 5.79 109.808 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -36.38 74.8 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 122.773 1.273 . . . . 2.99 109.097 -174.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -72.2 -35.39 68.91 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.085 -0.961 . . . . 3.14 110.212 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.07 -44.76 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.466 0.575 . . . . 2.23 109.851 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -63.5 1.13 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.49 -0.559 . . . . 1.81 109.49 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 122.972 0.509 . . . . 1.99 110.548 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.58 -39.32 23.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.301 0.955 . . . . 1.74 110.447 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -65.72 -58.88 4.64 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.838 0.29 . . . . 1.6 110.333 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.01 47.01 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.754 0.787 . . . . 1.76 112.442 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -19.82 65.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.961 2.104 . . . . 1.99 108.326 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m 74.4 39.43 0.47 Allowed 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 127.128 2.171 . . . . 3.25 110.843 171.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tp -120.28 -160.93 0.85 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.317 1.847 . . . . 2.71 109.3 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.06 138.48 49.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.701 1.137 . . . . 1.85 112.075 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -49.55 -45.92 48.17 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.681 1.992 . . . . 3.11 112.31 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -56.07 -50.48 70.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.439 1.495 . . . . 6.32 110.528 170.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -43.24 90.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.104 0.562 . . . . 5.04 109.505 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.56 -48.63 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.706 -0.479 . . . . 2.05 109.706 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -48.0 -53.11 17.26 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.254 0.479 . . . . 4.12 110.442 175.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.36 -56.81 11.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 CA-C-O 118.755 -0.64 . . . . 2.88 109.588 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -52.2 -46.48 65.63 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.294 0.497 . . . . 0.85 110.194 -170.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -62.8 -47.53 83.03 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.529 0.332 . . . . 1.88 111.542 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -56.08 -45.63 79.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 3.81 110.6 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -60.7 3.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.394 1.878 . . . . 4.21 109.497 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -49.49 -41.91 41.99 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.361 1.464 . . . . 5.28 111.072 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 . . . . . 0 CA--C 1.531 0.248 0 C-N-CA 124.8 1.24 . . . . 4.58 114.346 170.179 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 106.458 -1.682 . . . . 3.02 106.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.77 162.82 27.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.888 0.375 . . . . 2.24 110.051 158.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -55.88 -44.38 78.11 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.622 -0.51 . . . . 6.09 109.622 171.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.71 -52.02 66.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.616 0.573 . . . . 2.65 110.234 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -54.3 -46.43 72.78 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.746 -0.464 . . . . 2.12 109.746 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -57.46 -53.2 60.86 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.369 -0.824 . . . . 1.7 110.952 174.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -48.69 68.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.813 1.188 . . . . 1.86 110.528 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -58.09 -50.25 74.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.391 0.676 . . . . 2.6 109.75 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.36 -37.95 76.25 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.689 0.796 . . . . 2.29 112.35 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -56.8 12.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.021 -1.844 . . . . 2.87 106.021 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.16 73.36 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 119.868 -0.733 . . . . 5.18 111.961 173.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -54.75 -34.08 62.07 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 121.067 -1.021 . . . . 3.46 111.538 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.83 -39.23 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.898 -1.047 . . . . 1.75 108.931 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -81.68 -20.43 39.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.898 0.479 . . . . 7.19 111.275 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -51.26 64.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.695 -1.224 . . . . 3.35 107.695 168.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -147.71 119.35 8.01 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.848 0.859 . . . . 2.6 109.007 -173.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -53.94 -34.5 59.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.446 0.298 . . . . 6.36 111.064 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -141.25 129.62 22.42 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 105.696 -1.964 . . . . 3.37 105.696 158.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -90.18 138.05 20.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 C-N-CA 124.336 1.054 . . . . 3.49 109.032 -165.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -54.09 144.56 19.19 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.015 -0.735 . . . . 1.69 109.015 -172.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -56.38 -35.85 68.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.369 0.986 . . . . 4.73 111.329 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -58.26 -54.45 46.8 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.934 0.788 . . . . 7.89 110.203 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HG3' ' CD1' ' A' ' 26' ' ' ILE . 31.2 tpt180 -58.26 -39.72 79.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.991 0.424 . . . . 2.43 110.255 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.402 HH12 ' CD ' ' A' ' 42' ' ' GLU . 1.7 ttp85 -74.14 -36.6 64.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.975 -1.078 . . . . 3.57 111.961 -175.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.8 -52.12 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.416 -0.587 . . . . 2.21 109.416 165.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -63.23 1.21 Allowed 'General case' 0 N--CA 1.46 0.056 0 N-CA-C 107.959 -1.126 . . . . 1.93 107.959 -176.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -52.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.195 0 C-N-CA 124.242 1.017 . . . . 1.94 110.263 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -45.59 39.04 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 119.357 0.981 . . . . 1.79 109.988 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.4 -60.14 2.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 123.88 0.738 . . . . 1.96 110.698 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.32 79.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.25 0.548 . . . . 1.73 111.896 -173.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.29 -24.17 32.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.169 1.788 . . . . 2.31 109.582 -170.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 84.67 56.13 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.663 1.585 . . . . 2.68 111.436 170.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.89 -164.79 1.63 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.416 -1.327 . . . . 2.55 107.416 165.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -126.92 149.0 50.02 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.849 1.659 . . . . 1.26 110.424 172.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.402 ' CD ' HH12 ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.11 -25.97 67.34 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.275 0.472 . . . . 3.28 112.275 -169.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -70.16 -50.52 39.51 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.981 1.712 . . . . 5.62 110.437 172.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -62.44 -40.05 95.31 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.751 -0.833 . . . . 3.75 108.751 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mt -56.66 -54.17 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.461 1.904 . . . . 1.65 110.654 168.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.94 -47.84 70.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.22 -0.925 . . . . 5.59 110.557 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mt -54.52 -57.04 7.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 N-CA-C 109.041 -0.726 . . . . 2.97 109.041 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -48.15 -46.89 34.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.42 0.554 . . . . 0.82 110.427 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.33 -48.67 78.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.439 1.496 . . . . 2.05 112.217 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -53.81 -51.54 63.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.592 1.157 . . . . 4.68 109.513 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -61.66 2.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.338 1.855 . . . . 4.39 109.496 176.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -43.81 -54.14 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.896 1.679 . . . . 6.2 111.71 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 115.044 1.498 . . . . 4.57 115.044 -176.357 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 106.694 -1.595 . . . . 2.53 106.694 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.22 166.83 21.03 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 110.242 -0.281 . . . . 1.63 110.242 162.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.3 ttt85 -64.26 -45.26 88.91 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 119.017 -1.073 . . . . 6.1 109.804 171.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -55.04 6.63 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.61 1.096 . . . . 3.72 110.077 173.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.34 -57.08 12.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.611 -0.514 . . . . 2.0 109.611 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 m -53.72 -39.41 65.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.534 0.734 . . . . 1.75 111.473 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -49.12 71.89 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.097 -1.446 . . . . 2.16 107.097 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.76 -50.48 70.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.693 -0.484 . . . . 2.69 109.693 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.97 -39.05 71.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.955 0.902 . . . . 2.97 112.434 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -52.96 60.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.933 1.293 . . . . 2.59 109.435 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -61.5 -32.75 72.78 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.343 -0.848 . . . . 3.87 111.281 173.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -37.47 83.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.778 -1.201 . . . . 3.24 110.3 172.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.71 -15.04 57.45 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.816 -1.177 . . . . 1.77 112.028 173.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -94.8 -17.38 22.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.05 1.34 . . . . 3.35 111.174 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -46.22 74.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.3 -1.741 . . . . 3.16 106.3 172.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -173.56 -176.37 1.27 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.768 2.027 . . . . 3.16 106.298 -172.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -139.55 34.06 2.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.785 0.834 . . . . 9.21 110.424 167.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -175.79 88.47 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.737 3.215 . . . . 4.17 105.611 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.56 150.12 8.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 124.039 0.936 . . . . 3.75 110.804 -170.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -64.33 147.46 52.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.556 -0.535 . . . . 2.45 109.556 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -61.93 -37.54 85.06 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 119.609 -0.836 . . . . 4.96 110.503 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -48.98 66.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.041 0.536 . . . . 5.41 109.631 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.66 -37.34 70.8 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 122.163 -0.335 . . . . 2.27 111.146 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -71.6 -40.16 70.02 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.176 -0.952 . . . . 3.87 111.547 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.61 -47.3 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.807 0.73 . . . . 2.23 109.666 173.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -63.43 1.15 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.602 1.561 . . . . 2.11 109.088 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -46.83 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 116.034 -0.53 . . . . 2.38 110.148 -178.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.79 38.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.574 0.75 . . . . 1.71 109.558 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -67.09 -58.64 4.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 124.171 0.919 . . . . 1.49 110.011 -176.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.94 84.13 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.427 0.632 . . . . 1.54 112.253 -175.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.49 -40.33 80.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.808 2.043 . . . . 2.02 109.002 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 92.85 42.99 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.074 2.55 . . . . 2.36 111.04 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tp -136.1 144.69 45.26 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.214 -0.928 . . . . 2.21 108.573 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.42 144.51 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.709 0.803 . . . . 2.01 111.589 -168.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -48.55 -49.05 38.04 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.68 0.673 . . . . 3.07 111.807 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -43.0 68.48 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.208 0.603 . . . . 6.55 109.777 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -54.03 40.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.845 0.858 . . . . 5.03 108.696 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -54.27 -43.95 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.393 1.077 . . . . 2.4 109.573 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -57.88 -53.94 52.52 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.719 -0.613 . . . . 3.97 110.469 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.43 -43.99 95.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 117.829 0.286 . . . . 3.21 110.637 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.04 -48.29 78.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.55 1.14 . . . . 0.77 109.031 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -64.01 -49.47 72.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 122.096 -0.378 . . . . 2.31 110.609 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.22 -43.44 52.78 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.758 -0.46 . . . . 4.12 109.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.45 -59.62 3.81 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.552 -1.277 . . . . 3.09 107.552 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -50.64 -37.52 41.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 127.182 2.193 . . . . 5.2 112.909 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 . . . . . 0 N--CA 1.455 -0.19 0 C-N-CA 123.926 0.891 . . . . 5.37 111.014 177.51 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 109.512 -0.551 . . . . 2.98 109.512 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.1 158.87 33.47 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.348 0.594 . . . . 1.95 110.847 167.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -56.36 -49.23 75.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.814 -0.809 . . . . 4.98 108.814 171.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -52.62 -49.86 64.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.92 0.488 . . . . 2.7 110.666 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -53.83 -56.08 20.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.748 -0.834 . . . . 1.66 108.748 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 m -55.63 -46.63 77.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.35 -0.841 . . . . 1.83 110.692 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -50.78 72.71 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.19 0.905 . . . . 1.83 109.772 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.54 -44.55 72.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.401 -0.592 . . . . 2.88 109.401 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.37 -45.67 83.17 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.574 1.15 . . . . 2.36 112.854 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.0 -50.28 36.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.603 1.561 . . . . 2.93 109.082 172.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -62.06 -49.24 76.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.647 1.579 . . . . 3.68 112.032 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -33.58 56.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.835 1.654 . . . . 3.13 109.596 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.48 -27.68 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.621 -1.299 . . . . 1.63 111.348 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -70.3 -25.4 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.652 -0.655 . . . . 3.65 110.896 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.31 80.55 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.513 -0.921 . . . . 2.62 108.513 173.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.19 146.2 3.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.917 0.487 . . . . 3.93 111.35 -170.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -76.52 -21.4 55.79 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.545 0.738 . . . . 5.45 112.318 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -145.49 142.49 29.28 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 105.505 -2.035 . . . . 3.49 105.505 164.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.04 147.52 5.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 113.526 0.936 . . . . 2.84 113.526 -175.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -70.22 148.78 48.2 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.344 1.457 . . . . 2.29 109.14 173.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.12 -46.5 68.79 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 120.923 1.692 . . . . 4.52 111.365 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -55.94 -46.64 78.45 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.692 0.397 . . . . 5.3 110.89 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -74.06 -33.91 63.85 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.92 0.39 . . . . 2.67 110.506 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 ttp-105 -68.54 -44.64 74.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 121.549 -0.72 . . . . 4.87 109.824 -172.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.7 -49.84 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.669 -0.493 . . . . 2.9 109.669 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.24 -62.93 1.34 Allowed 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 125.158 1.383 . . . . 2.21 107.804 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.5 mm -50.41 -62.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 124.526 1.13 . . . . 2.64 111.301 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.97 -37.39 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.44 0.696 . . . . 1.73 110.836 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -73.33 -65.77 0.77 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.689 0.618 . . . . 2.46 110.598 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.48 84.76 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.994 0.902 . . . . 1.94 110.659 -167.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.25 -4.35 59.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.406 2.282 . . . . 2.19 109.511 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m 44.44 62.15 2.13 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 126.363 1.865 . . . . 3.06 112.786 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 tp -124.63 -152.47 0.52 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 106.027 -1.842 . . . . 2.54 106.027 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -152.38 152.99 32.72 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 121.343 1.883 . . . . 1.44 112.032 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -49.85 -49.83 47.72 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 2.92 113.412 -170.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.14 -50.0 72.33 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.421 -0.585 . . . . 6.71 109.421 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -51.34 68.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.526 -0.916 . . . . 4.81 108.526 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.6 mt -53.77 -56.74 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 2.96 109.429 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -47.28 -53.72 12.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.605 0.639 . . . . 4.29 110.022 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.67 -38.39 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.1 -0.476 . . . . 3.54 111.522 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.49 -53.12 60.64 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.896 0.771 . . . . 0.68 109.87 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -59.77 -45.31 92.67 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 108.621 -0.881 . . . . 1.77 108.621 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.62 51.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.338 -0.245 . . . . 4.53 110.338 174.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -58.24 -46.25 86.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.561 1.144 . . . . 3.19 108.658 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -50.67 59.35 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.957 1.303 . . . . 4.8 110.772 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 113.362 0.875 . . . . 5.89 113.362 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.429 -1.499 0 N-CA-C 108.274 -1.01 . . . . 3.1 108.274 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.42 162.69 35.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.111 -2.181 . . . . 2.12 105.111 -172.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -58.42 -39.31 79.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 120.44 1.473 . . . . 6.8 109.926 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.77 -61.63 2.18 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.364 0.666 . . . . 3.08 109.744 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -48.82 70.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.843 0.83 . . . . 1.73 110.385 -173.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.5 m -65.41 -29.33 70.01 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 117.631 -1.176 . . . . 1.84 111.365 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.84 87.72 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.607 2.003 . . . . 2.0 108.24 172.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -52.23 61.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 106.535 -1.654 . . . . 2.96 106.535 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 HD11 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -61.72 -44.8 96.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.728 1.211 . . . . 3.88 112.098 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' CD ' HH21 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.4 -51.36 59.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.563 -1.336 . . . . 4.32 111.036 171.581 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -65.42 -34.13 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.134 -0.979 . . . . 4.8 111.478 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -53.78 -41.81 67.62 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.19 0.996 . . . . 4.57 110.312 169.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.74 -47.15 82.21 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.562 -0.711 . . . . 1.64 110.161 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.61 -27.84 68.06 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.523 -0.308 . . . . 3.22 111.437 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.96 -66.26 0.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.956 1.302 . . . . 3.49 108.908 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -157.64 131.23 7.89 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.864 -0.791 . . . . 3.23 108.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.73 -29.61 64.89 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.489 0.716 . . . . 5.48 111.981 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -130.74 120.52 23.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.222 -1.399 . . . . 3.25 107.222 170.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.15 151.18 3.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 108.552 -0.907 . . . . 2.47 108.552 174.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.12 149.64 49.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.007 -1.108 . . . . 2.06 108.007 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -61.17 -38.89 88.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 120.661 1.573 . . . . 5.09 110.967 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -54.57 -53.24 57.16 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.606 0.639 . . . . 5.81 109.938 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -67.18 -40.5 86.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.893 0.378 . . . . 2.71 110.549 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 ttm105 -65.25 -43.4 91.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.832 -0.803 . . . . 3.32 108.832 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.1 -47.97 89.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 118.7 0.682 . . . . 2.54 109.934 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.04 -63.66 1.07 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 108.35 -0.982 . . . . 1.96 108.35 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -57.25 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.49 -0.777 . . . . 2.3 110.056 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.97 -39.32 59.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.575 0.75 . . . . 1.77 110.935 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -68.04 -48.18 66.35 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.504 -0.554 . . . . 2.48 109.504 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.99 93.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.036 0.384 . . . . 1.79 112.036 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -30.79 32.54 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.758 1.223 . . . . 1.91 109.571 -170.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 t 84.99 54.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 128.092 2.557 . . . . 2.89 110.231 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -160.38 1.07 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 3.44 109.275 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -146.52 164.52 32.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.511 1.505 . . . . 1.72 112.332 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.92 -36.82 77.83 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 122.612 0.365 . . . . 3.72 110.463 169.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.89 -54.74 43.71 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.282 -0.636 . . . . 6.6 109.282 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.65 -57.74 10.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.263 -0.575 . . . . 4.73 110.319 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.7 mt -54.61 -45.49 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 110.053 -0.351 . . . . 2.18 110.053 -172.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -48.4 -58.5 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.172 -0.677 . . . . 4.38 109.172 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -44.64 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 122.961 0.504 . . . . 3.37 111.512 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.455 ' CZ3' HD11 ' A' ' 16' ' ' LEU . 33.7 t90 -57.9 -48.68 79.17 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 108.862 -0.792 . . . . 0.73 108.862 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.18 -36.26 81.41 Favored 'General case' 0 C--O 1.232 0.134 0 O-C-N 121.637 -0.665 . . . . 2.14 110.71 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.57 -54.92 30.53 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.584 -0.895 . . . . 4.11 108.584 171.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -59.6 -43.57 93.69 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.934 1.294 . . . . 3.34 109.128 -175.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.457 HH21 ' CD ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -77.52 -35.95 52.92 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.152 -0.927 . . . . 7.47 110.768 -170.392 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 . . . . . 0 N--CA 1.449 -0.485 0 C-N-CA 119.207 -0.997 . . . . 4.43 108.586 174.589 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.852 0.358 . . . . 2.74 110.37 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.33 170.25 12.69 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.465 1.506 . . . . 1.65 109.765 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -57.81 -49.81 75.39 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 5.51 109.908 172.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.13 -53.68 54.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.95 -0.759 . . . . 2.09 108.95 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.95 -48.45 70.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.8 0.333 . . . . 2.21 110.33 -177.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.1 m -60.29 -42.07 94.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 118.747 -0.644 . . . . 1.78 110.64 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -53.19 59.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.182 0.901 . . . . 1.79 109.307 173.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.63 -40.74 72.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.041 0.448 . . . . 2.5 110.384 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.66 -40.98 65.92 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.871 0.868 . . . . 2.27 113.286 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -51.6 58.72 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.522 -1.361 . . . . 3.53 109.509 165.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -56.06 -35.51 67.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.56 1.144 . . . . 3.99 111.312 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -63.17 -41.23 99.2 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 124.435 1.094 . . . . 4.38 111.039 173.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -63.56 -40.33 96.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.138 -0.69 . . . . 1.64 109.138 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -37.12 79.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.737 0.415 . . . . 7.05 111.392 168.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.47 -39.08 93.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.998 0.919 . . . . 2.86 109.023 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 p30 173.04 166.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.166 2.186 . . . . 2.44 109.108 159.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -68.59 -15.97 63.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.759 1.022 . . . . 4.84 113.759 -170.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.73 104.5 0.25 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.036 0.935 . . . . 5.33 108.49 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.47 168.33 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 113.964 1.098 . . . . 2.56 113.964 -171.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -72.71 148.19 44.92 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.265 1.026 . . . . 2.25 108.535 164.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.94 -36.4 76.97 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 119.071 -1.052 . . . . 5.3 111.131 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -50.7 68.45 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.773 1.169 . . . . 4.55 110.302 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.48 69.47 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.857 0.837 . . . . 2.83 110.673 -176.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -81.83 -34.39 30.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.817 -0.552 . . . . 4.31 110.685 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.64 -49.99 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.874 0.869 . . . . 2.28 108.753 163.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.38 -63.1 1.26 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.701 1.2 . . . . 1.97 109.058 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -53.87 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-O 118.21 -0.9 . . . . 1.78 110.715 175.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.11 -35.83 12.14 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 120.114 1.325 . . . . 1.6 111.228 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -68.2 -64.98 0.75 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.144 -0.687 . . . . 1.8 109.144 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -32.1 67.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.52 0.933 . . . . 1.7 113.52 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 -5.09 52.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.095 2.158 . . . . 1.9 110.058 -175.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 p 51.86 53.85 11.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.362 1.465 . . . . 2.76 112.892 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 tp -132.02 -152.68 0.51 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.804 1.242 . . . . 2.35 109.512 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.7 p -150.77 161.45 42.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.197 1.362 . . . . 1.45 110.972 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.37 -33.55 76.1 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.472 -0.299 . . . . 4.15 111.523 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -56.29 -54.66 42.76 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.43 -0.952 . . . . 6.03 108.43 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -57.93 -53.88 53.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.727 0.811 . . . . 3.93 110.265 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.1 mt -59.65 -40.61 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.014 0.526 . . . . 1.69 110.011 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -51.79 66.48 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.373 -0.602 . . . . 4.66 109.373 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.18 -48.51 88.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.142 0.977 . . . . 2.83 110.045 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -55.42 -43.82 75.68 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.694 0.759 . . . . 0.69 110.069 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.45 -40.56 91.61 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 120.789 -1.194 . . . . 2.33 111.0 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.01 -45.74 90.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.078 0.861 . . . . 3.54 110.27 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -42.42 -47.95 5.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.587 1.555 . . . . 3.28 111.818 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -58.82 2.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.881 -1.054 . . . . 7.24 111.398 -164.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.341 0.233 0 C-N-CA 128.901 2.88 . . . . 4.34 117.401 175.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 106.499 -1.667 . . . . 3.52 106.499 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 165.18 24.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.403 0.621 . . . . 1.83 111.776 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -57.74 -53.41 58.49 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.556 -0.905 . . . . 5.53 108.556 172.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.86 -54.72 17.72 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.81 0.844 . . . . 2.32 110.042 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.524 ' NE2' ' CD1' ' A' ' 40' ' ' LEU . 3.1 mt-30 -53.95 -52.41 60.72 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.252 0.549 . . . . 2.8 109.617 -175.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -56.43 -49.41 74.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.381 -0.819 . . . . 1.71 110.814 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.08 69.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.522 1.055 . . . . 1.69 110.314 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.38 -48.49 76.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.604 -0.887 . . . . 2.75 108.604 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.08 -42.31 98.27 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.595 -0.691 . . . . 2.63 112.61 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -45.2 69.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.006 1.322 . . . . 4.17 111.503 168.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -51.71 63.81 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.722 -0.844 . . . . 5.27 108.722 169.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.13 -33.97 67.91 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.288 0.635 . . . . 3.63 110.237 -171.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.22 -24.39 67.86 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.921 -0.487 . . . . 1.54 111.407 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -83.98 -21.02 31.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.313 0.645 . . . . 3.69 111.369 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -54.9 4.47 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.731 -1.581 . . . . 3.56 106.731 -175.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -137.66 135.88 36.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.976 1.31 . . . . 2.62 108.914 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.46 -39.05 62.77 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.63 -0.669 . . . . 5.7 110.506 175.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -128.45 123.77 34.53 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 104.357 -2.46 . . . . 3.09 104.357 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.65 149.11 10.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 120.825 1.648 . . . . 2.45 112.123 177.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -59.49 144.63 46.66 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.234 -1.348 . . . . 1.96 108.898 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -53.1 -42.74 66.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.273 0.942 . . . . 4.98 111.555 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.86 16.2 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.945 -0.761 . . . . 5.62 108.945 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -58.74 -35.05 72.1 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.356 -0.238 . . . . 4.41 110.356 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -73.22 -40.04 65.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.856 -0.592 . . . . 3.05 111.426 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.42 -45.74 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 119.048 0.84 . . . . 2.02 109.025 171.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -63.27 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.556 1.143 . . . . 2.22 108.288 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.81 -53.18 40.53 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 124.099 0.96 . . . . 2.46 110.394 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.0 -38.73 17.72 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.865 -1.147 . . . . 1.71 110.353 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -71.02 -70.72 0.29 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.596 0.236 . . . . 1.44 110.677 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.32 80.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.78 0.832 . . . . 1.84 113.017 -170.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.45 -4.12 59.12 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.699 2.4 . . . . 2.43 109.905 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 p 52.01 63.65 2.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.677 1.591 . . . . 3.28 113.814 173.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -139.75 -175.71 4.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.105 1.362 . . . . 3.0 109.505 171.048 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 100.0 p -110.53 161.54 15.6 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 119.308 0.958 . . . . 1.61 111.695 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.88 -43.53 98.65 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.411 -0.589 . . . . 3.65 109.411 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -47.08 -58.12 4.35 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 123.991 0.917 . . . . 7.99 110.244 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -58.96 -60.48 3.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.862 -0.792 . . . . 5.18 108.862 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.08 -46.58 88.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 120.769 0.319 . . . . 2.11 110.672 -169.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -53.41 -51.73 61.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.99 0.916 . . . . 4.28 109.29 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.22 -51.37 73.34 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 120.253 -0.579 . . . . 2.87 109.879 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -51.12 -53.3 35.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.151 -0.928 . . . . 0.88 109.844 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -58.76 -39.05 79.86 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.041 0.837 . . . . 1.83 111.295 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -47.3 86.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.353 -0.61 . . . . 4.16 109.353 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -53.98 47.74 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 125.987 1.715 . . . . 4.38 111.4 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.29 -23.93 62.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 126.279 1.832 . . . . 7.54 113.083 -171.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 . . . . . 0 CA--C 1.53 0.21 0 O-C-N 121.908 -0.495 . . . . 3.73 111.377 167.846 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 41.0 mmm . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 107.239 -1.393 . . . . 30.99 107.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . 0.453 ' CG ' ' HZ2' ' A' ' 2' ' ' LYS . 36.9 t0 -64.45 162.19 15.67 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.926 0.766 . . . . 25.35 109.665 171.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 t -161.49 179.68 8.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.122 1.369 . . . . 22.84 107.917 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HZ2' ' CG ' ' A' ' 0' ' ' ASP . 0.0 OUTLIER 166.08 -20.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.631 1.972 . . . . 23.22 112.081 -177.663 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 34.29 89.6 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.827 2.051 . . . . 23.61 114.969 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.6 p 50.4 93.38 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.55 1.54 . . . . 14.04 113.726 159.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -75.59 -35.48 60.56 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.621 -0.718 . . . . 15.58 110.291 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -119.58 -178.78 3.7 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 128.904 2.882 . . . . 7.21 106.469 173.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.262 1.2 p 71.62 150.67 0.1 Allowed 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 126.92 2.088 . . . . 3.21 114.768 175.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -143.65 162.54 35.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.545 1.138 . . . . 3.32 108.67 -166.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.08 169.94 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.257 1.823 . . . . 2.6 108.276 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -54.67 -50.29 68.58 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.274 -0.639 . . . . 6.09 109.274 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.91 -56.95 13.95 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.55 0.74 . . . . 2.13 109.785 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -52.83 59.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.574 0.702 . . . . 1.69 109.671 -175.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 m -58.02 -39.04 77.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 118.092 -0.956 . . . . 1.72 110.663 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -50.04 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.519 1.509 . . . . 1.8 109.377 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.45 -45.0 89.44 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.423 0.63 . . . . 3.73 109.971 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.76 -47.98 78.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.562 0.745 . . . . 2.64 111.372 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.05 -48.97 78.48 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 3.71 111.417 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -7.62 49.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.419 0.896 . . . . 4.94 113.419 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -87.39 -39.92 14.86 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 122.195 0.998 . . . . 3.98 109.3 163.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.18 -44.3 95.79 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.756 -0.59 . . . . 1.76 110.394 -172.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -17.38 64.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.93 -0.708 . . . . 4.84 112.111 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -54.82 5.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.708 -1.219 . . . . 4.19 107.708 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -144.18 88.16 1.94 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.583 1.553 . . . . 2.56 109.251 -168.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -55.96 -24.13 36.5 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.598 -0.689 . . . . 5.95 111.396 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.19 109.8 15.85 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.457 1.903 . . . . 2.86 106.021 160.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.74 156.5 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.444 0.64 . . . . 2.98 109.421 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.13 147.2 53.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.069 -1.456 . . . . 1.93 107.069 167.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -61.11 -38.63 86.99 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 118.355 -1.338 . . . . 4.51 110.222 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -52.46 -55.45 21.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.967 0.349 . . . . 7.28 110.329 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -64.65 -41.53 96.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.399 -0.52 . . . . 2.44 110.039 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -62.49 -41.03 98.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.735 -0.603 . . . . 6.12 109.807 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.89 -49.17 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 118.544 0.611 . . . . 2.14 109.777 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -53.47 -63.56 1.11 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.961 0.905 . . . . 1.91 109.102 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -49.26 -53.33 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 123.636 0.774 . . . . 2.18 109.941 174.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.88 -27.31 51.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.972 -1.08 . . . . 1.54 112.23 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -80.89 -62.24 1.73 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.722 0.809 . . . . 1.96 109.994 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.81 58.44 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.987 0.915 . . . . 1.93 111.951 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -43.39 95.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.821 -1.548 . . . . 2.13 106.821 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m 74.58 72.95 0.11 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.683 2.393 . . . . 3.63 111.545 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.9 tp -152.72 139.55 19.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 106.01 -1.848 . . . . 2.52 106.01 166.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 154.63 41.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.465 0.913 . . . . 1.56 113.465 -159.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.64 -44.04 37.05 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.605 1.162 . . . . 3.37 110.783 172.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -50.06 73.94 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.831 1.252 . . . . 9.09 108.684 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -54.18 44.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.824 -1.176 . . . . 4.18 107.824 -173.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mt -61.48 -39.37 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 118.586 -0.721 . . . . 2.24 110.447 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -51.53 -58.61 5.81 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 118.855 -1.138 . . . . 3.95 109.43 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.56 -42.62 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 118.461 0.573 . . . . 3.24 112.219 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.83 -52.37 66.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.454 1.101 . . . . 0.86 108.719 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.81 -39.41 90.86 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.664 -0.648 . . . . 2.51 110.643 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.93 -43.61 98.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.156 0.982 . . . . 4.71 110.005 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -52.98 61.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.727 1.211 . . . . 3.55 108.808 177.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -47.63 -45.03 27.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.098 1.359 . . . . 5.35 112.117 -165.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -29.92 -49.85 0.11 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.698 1.599 . . . . 3.82 112.678 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.413 ' C ' ' H ' ' A' ' 56' ' ' SER . 6.3 tmm? -122.09 37.67 4.32 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.668 1.187 . . . . 7.19 109.233 -172.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -82.85 46.22 1.07 Allowed 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.128 -1.608 . . . . 6.13 112.672 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 54' ' ' MET . 23.5 m 33.95 46.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 130.415 3.486 . . . . 5.43 113.67 160.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -175.22 -51.19 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 128.006 2.523 . . . . 7.02 105.331 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -85.53 45.62 1.21 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.169 -0.678 . . . . 9.25 109.169 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -145.33 -75.3 0.22 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.602 1.161 . . . . 7.0 109.516 -162.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -87.48 67.05 9.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.337 0.589 . . . . 10.28 111.217 -159.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -72.0 75.31 0.92 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.147 0.975 . . . . 11.62 108.975 169.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 tt -50.88 108.3 0.23 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.441 1.896 . . . . 14.45 110.014 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t0 48.48 45.99 20.8 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 123.64 1.686 . . . . 18.2 109.416 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.6 m 58.08 17.8 4.74 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 127.377 2.271 . . . . 17.81 114.91 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.8 p -77.39 150.45 79.87 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 119.195 0.907 . . . . 17.95 109.597 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.6 80.34 2.8 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 122.259 1.973 . . . . 18.85 109.331 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.87 -26.26 46.31 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 122.808 0.443 . . . . 18.97 111.436 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 p80 . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 127.141 2.176 . . . . 21.98 112.103 173.562 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 107.669 -1.234 . . . . 31.73 107.669 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -66.34 162.48 20.2 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.739 0.78 . . . . 26.54 109.49 164.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.5 p -58.49 71.88 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 128.87 2.868 . . . . 22.06 110.461 165.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -64.28 73.34 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.823 1.649 . . . . 23.65 110.84 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 88.04 166.55 0.06 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.159 2.584 . . . . 24.3 107.858 -165.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p 52.63 93.54 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.918 2.087 . . . . 15.12 112.16 -177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.01 164.67 13.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.89 -1.152 . . . . 18.39 107.89 168.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.29 164.32 16.2 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.3 -0.63 . . . . 9.48 109.3 173.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.8 p -73.86 179.08 4.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.868 1.267 . . . . 4.51 110.904 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 85.64 146.0 0.06 Allowed 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 130.925 3.69 . . . . 3.5 112.838 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.6 164.59 15.3 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.722 -0.672 . . . . 1.53 110.572 -173.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.71 -48.66 78.28 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.492 -0.929 . . . . 6.17 108.492 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -47.57 -54.23 12.35 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.767 0.827 . . . . 2.14 109.932 170.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.58 -53.26 54.25 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 123.3 0.64 . . . . 1.73 110.36 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -58.15 -45.34 87.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 118.119 -0.943 . . . . 1.55 110.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -50.55 70.67 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.744 1.156 . . . . 1.74 109.856 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.12 -52.49 63.1 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.653 0.781 . . . . 3.67 109.404 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.88 -38.27 78.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.632 1.573 . . . . 2.15 112.71 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.72 -49.94 54.73 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.707 -1.96 . . . . 2.88 105.707 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -54.77 -48.64 72.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.629 0.772 . . . . 5.61 109.948 172.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -39.43 72.38 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.445 -0.576 . . . . 3.53 109.445 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -63.68 -39.84 95.33 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.112 -1.618 . . . . 1.85 110.67 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.44 -33.25 71.04 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.036 -0.415 . . . . 3.6 110.473 171.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -52.37 59.69 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 3.0 110.54 172.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -143.52 121.49 12.06 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.883 1.273 . . . . 2.71 109.616 -162.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -63.74 -28.96 70.24 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.869 -1.144 . . . . 5.85 111.375 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -143.26 123.77 13.99 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.418 -1.697 . . . . 2.75 106.418 167.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.69 152.07 9.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.106 0.479 . . . . 2.77 110.404 -178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.77 144.38 56.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.361 -1.348 . . . . 2.23 107.361 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -54.88 -41.66 71.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.898 1.226 . . . . 4.94 110.673 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -63.21 -50.69 69.27 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.827 0.74 . . . . 8.98 110.998 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -57.58 -42.13 82.52 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 121.366 0.603 . . . . 2.39 109.713 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -65.28 -39.97 93.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 121.568 -0.707 . . . . 3.3 110.043 -176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.65 -49.72 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 123.288 0.635 . . . . 2.15 109.84 171.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -63.09 1.26 Allowed 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.218 -1.03 . . . . 2.03 108.218 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -50.23 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 C-N-CA 124.403 1.081 . . . . 1.87 110.358 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.6 -47.63 39.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 120.97 -1.081 . . . . 1.54 109.569 175.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -63.73 -58.27 7.4 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.184 -0.462 . . . . 1.7 110.739 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.24 -53.5 10.72 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.836 0.827 . . . . 1.56 112.08 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -22.96 67.13 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.463 1.905 . . . . 1.81 108.943 -175.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.2 m 80.81 57.67 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.524 1.93 . . . . 2.85 110.765 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tp -139.57 -177.65 5.04 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.139 1.775 . . . . 2.69 107.49 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.2 p -110.98 158.33 18.9 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 121.17 1.804 . . . . 1.81 111.537 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -52.13 61.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.108 -1.071 . . . . 3.4 108.108 175.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -49.03 -61.88 1.83 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.116 1.366 . . . . 6.36 111.503 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.23 -47.49 83.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.52 -0.548 . . . . 4.76 109.52 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.24 -46.57 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 119.189 -0.434 . . . . 1.95 109.89 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -53.4 42.18 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.579 1.081 . . . . 4.17 109.46 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.6 -41.97 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.685 0.394 . . . . 2.76 111.098 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -61.13 -48.62 80.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.978 0.511 . . . . 0.71 110.153 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.73 -28.53 67.72 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.286 -0.884 . . . . 1.93 110.765 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.28 -44.29 96.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.836 -0.54 . . . . 3.65 110.366 168.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.28 -45.59 46.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.253 1.021 . . . . 3.45 110.047 -171.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -59.82 3.25 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.012 2.125 . . . . 6.18 111.005 -173.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 31.42 42.7 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.614 1.966 . . . . 5.51 116.003 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.5 ptp 35.48 57.4 0.87 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.601 1.161 . . . . 13.01 112.022 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -72.88 26.57 0.06 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.284 1.433 . . . . 7.72 113.207 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 m 33.88 50.52 0.33 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 127.556 2.342 . . . . 8.88 113.244 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -168.05 -35.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 113.47 -1.695 . . . . 9.83 107.629 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -113.0 60.77 0.64 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 105.207 -2.146 . . . . 11.89 105.207 158.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -175.74 -52.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 127.028 2.131 . . . . 11.26 106.337 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.92 174.0 11.3 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 103.453 -2.795 . . . . 15.25 103.453 158.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.0 m 53.74 65.85 1.4 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.179 1.391 . . . . 15.47 112.149 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.3 tp -70.17 147.17 50.17 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.862 -1.162 . . . . 22.35 107.862 161.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -87.18 -134.26 0.08 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.435 1.494 . . . . 22.66 107.35 170.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.7 t -124.63 116.68 22.79 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 105.102 -2.184 . . . . 25.97 105.102 165.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.276 21.1 t -158.11 -69.71 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 115.398 1.629 . . . . 28.4 115.398 -158.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -71.11 69.68 2.39 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 124.878 3.719 . . . . 28.41 110.945 -177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 46.19 93.86 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.11 2.164 . . . . 35.38 110.578 -164.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 m80 . . . . . 0 N--CA 1.436 -1.158 0 C-N-CA 127.189 2.196 . . . . 34.25 111.624 -159.882 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 106.45 -1.685 . . . . 30.04 106.45 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . 0.434 ' OD2' ' NZ ' ' A' ' 2' ' ' LYS . 5.5 p-10 -167.75 34.72 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 O-C-N 123.872 0.732 . . . . 23.68 109.512 -158.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m -49.74 109.2 0.26 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.133 1.773 . . . . 20.79 114.042 -166.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' NZ ' ' OD2' ' A' ' 0' ' ' ASP . 1.3 mppt? -68.21 77.19 0.25 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.079 -1.082 . . . . 21.18 108.079 165.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -72.96 60.13 0.52 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.048 1.339 . . . . 20.03 111.813 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.7 p -153.85 94.07 1.72 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.746 1.619 . . . . 13.98 106.813 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -93.92 127.62 39.78 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.424 -0.954 . . . . 11.42 108.424 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.27 156.23 41.8 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 105.498 -2.038 . . . . 7.46 105.498 176.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.4 p -101.21 -177.81 3.56 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.625 1.17 . . . . 3.91 110.773 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.82 175.25 9.76 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.319 1.847 . . . . 3.24 106.112 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.42 163.37 30.63 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.635 1.174 . . . . 2.52 108.967 172.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -56.68 -54.96 40.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.748 -0.834 . . . . 7.04 108.748 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -49.88 -55.7 13.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.138 0.575 . . . . 2.05 110.106 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -56.97 -52.28 65.87 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 110.059 -0.349 . . . . 2.45 110.059 -173.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -51.05 -50.23 59.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.391 0.677 . . . . 1.65 111.627 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -49.81 75.96 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.813 0.733 . . . . 2.2 109.245 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -35.53 79.06 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 121.852 -0.53 . . . . 2.85 110.037 -175.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.76 -36.83 84.35 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.254 0.621 . . . . 2.43 111.745 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -50.49 73.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.099 0.559 . . . . 2.53 110.139 171.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -44.9 70.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.784 -0.45 . . . . 4.49 109.784 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.16 -40.0 92.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.255 -0.278 . . . . 3.7 110.915 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.155 -0.966 . . . . 2.09 109.728 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.29 -17.63 64.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.93 -0.557 . . . . 6.8 112.448 173.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.53 -54.42 5.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.367 0.985 . . . . 3.68 108.527 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -138.97 119.3 13.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.28 1.432 . . . . 2.63 110.182 -164.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -60.31 -34.21 73.46 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.573 -0.704 . . . . 6.38 110.758 171.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -142.77 119.57 11.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.183 2.193 . . . . 3.18 106.154 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -65.4 162.92 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 118.42 0.554 . . . . 2.26 111.926 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -63.49 146.83 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.464 -1.31 . . . . 2.06 107.464 166.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -58.8 -43.88 90.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.012 0.824 . . . . 7.25 110.619 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -57.5 -51.68 68.46 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.86 -0.422 . . . . 6.33 109.86 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.89 -41.34 97.78 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.02 -0.733 . . . . 2.23 109.02 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG3' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.31 -44.29 92.06 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 121.724 -0.61 . . . . 3.78 111.211 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.41 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 118.443 0.565 . . . . 2.28 109.823 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.47 -63.42 1.15 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.718 0.77 . . . . 2.31 109.393 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -52.77 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 125.118 1.367 . . . . 2.15 110.114 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.65 -49.35 14.48 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.35 -0.844 . . . . 1.54 109.856 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.36 -55.7 19.38 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 123.421 0.45 . . . . 2.85 111.19 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.45 22.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 2.02 111.822 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -30.07 69.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.559 1.943 . . . . 2.83 108.824 -177.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 90.79 48.03 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.31 1.844 . . . . 2.42 111.849 163.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.18 -177.82 4.3 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.031 -1.47 . . . . 2.63 107.031 170.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.1 p -100.43 156.74 17.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.519 1.963 . . . . 1.81 110.728 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -53.52 -48.32 69.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.122 0.969 . . . . 3.41 108.996 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.4 mmt-85 -59.7 -54.12 50.08 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 125.291 1.437 . . . . 8.99 110.829 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -61.6 -38.89 89.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 121.798 -0.564 . . . . 3.75 110.554 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.5 mt -57.54 -50.78 76.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.402 0.681 . . . . 1.72 109.794 172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -51.72 -49.1 63.16 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.972 -0.455 . . . . 4.55 111.011 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 118.108 0.413 . . . . 3.07 111.203 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -56.2 -49.91 72.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.55 0.74 . . . . 0.72 109.488 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -61.62 -47.39 85.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.764 -0.458 . . . . 2.31 109.764 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -53.59 -38.76 64.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.434 0.161 . . . . 3.96 111.434 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -66.18 0.55 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.853 0.861 . . . . 3.01 109.177 168.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -51.19 -35.97 38.99 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.036 0.934 . . . . 5.33 113.358 -172.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -50.62 -47.1 58.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.914 -1.041 . . . . 4.26 111.081 173.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.0 mtm -147.37 81.68 1.53 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.663 1.585 . . . . 5.46 109.7 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . 0.321 78.0 tttt -91.76 -106.36 0.1 Allowed 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.975 1.472 . . . . 6.24 114.975 -168.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -132.76 62.26 1.66 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 123.531 1.634 . . . . 6.66 108.005 168.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -152.53 -36.07 0.12 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.058 -2.337 . . . . 6.52 107.289 162.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -97.68 56.81 1.31 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.653 -1.24 . . . . 7.14 107.653 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.94 -71.52 0.11 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.532 1.133 . . . . 10.55 109.428 -158.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 66.15 54.01 1.01 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.533 1.133 . . . . 13.6 108.992 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.282 3.8 t 51.95 -176.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.869 2.067 . . . . 16.63 113.591 -169.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.3 tp -67.88 134.97 51.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.161 -0.927 . . . . 22.03 110.513 -172.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -85.48 -133.79 0.06 Allowed 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 126.716 2.006 . . . . 22.18 107.761 171.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.7 m -140.8 45.36 1.8 Allowed 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.757 -1.214 . . . . 26.14 108.131 160.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m 79.85 148.25 0.11 Allowed Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 126.417 1.887 . . . . 26.91 108.695 -159.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -74.31 174.16 12.98 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.263 1.975 . . . . 26.65 109.398 172.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -70.59 -26.3 63.45 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.925 0.49 . . . . 30.28 111.318 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 105.696 -1.964 . . . . 32.42 105.696 176.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 107.379 -1.341 . . . . 25.38 107.379 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.73 156.56 38.81 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.582 0.551 . . . . 19.88 110.39 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t -84.54 61.13 6.49 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.451 -1.314 . . . . 16.29 107.451 173.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.34 30.09 0.44 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.381 2.272 . . . . 18.66 114.854 -176.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.06 54.49 8.84 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.248 0.931 . . . . 19.56 110.568 -168.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.284 4.6 p 81.48 104.83 0.06 Allowed 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 130.23 3.412 . . . . 11.93 112.824 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.84 141.78 31.78 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.511 -0.743 . . . . 10.36 109.682 159.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -77.66 145.0 36.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.23 -0.656 . . . . 7.46 109.23 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.8 p -91.23 132.34 36.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.274 -1.751 . . . . 3.51 106.274 158.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -73.69 144.03 45.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.444 -0.576 . . . . 2.92 109.444 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 168.64 13.09 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.003 0.521 . . . . 1.71 109.964 170.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.85 -51.33 70.47 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.306 -0.628 . . . . 5.94 109.306 171.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.64 -57.03 9.2 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 108.81 -0.811 . . . . 1.91 108.81 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -53.83 -55.16 29.15 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 122.841 0.456 . . . . 1.76 110.197 -175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 83.5 m -54.61 -40.91 69.37 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.276 0.63 . . . . 1.6 110.927 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -50.74 72.94 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.1 0.864 . . . . 2.02 109.169 175.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.05 -40.81 95.05 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.421 -0.511 . . . . 2.61 110.791 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.4 -37.27 85.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.795 0.838 . . . . 3.17 111.98 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -51.55 68.77 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 2.71 109.576 171.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.39 -35.58 63.02 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.086 -1.009 . . . . 6.92 110.893 172.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.31 -39.66 94.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.293 1.437 . . . . 4.18 110.573 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -47.94 79.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 106.604 -1.628 . . . . 2.68 106.604 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.2 -33.98 69.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.618 0.367 . . . . 4.01 111.22 172.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -56.59 14.27 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.845 0.748 . . . . 3.25 109.426 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -152.81 136.35 15.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.165 -1.421 . . . . 2.68 107.165 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -55.66 -31.04 62.03 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.697 0.226 . . . . 5.8 111.585 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -144.6 117.6 8.84 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 106.48 -1.674 . . . . 4.46 106.48 163.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.268 0.0 OUTLIER -64.21 149.94 10.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 114.682 1.364 . . . . 3.07 114.682 -178.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -56.63 143.79 34.63 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 113.462 -1.699 . . . . 2.12 109.28 167.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -59.57 -38.46 81.21 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.846 -0.742 . . . . 4.73 111.13 -170.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -47.96 83.98 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.876 -0.73 . . . . 4.81 109.63 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -31.56 70.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.526 0.679 . . . . 3.27 109.716 -176.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -76.94 -36.81 56.28 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.918 -0.489 . . . . 3.01 111.041 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mt -55.72 -51.84 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.139 -0.689 . . . . 1.93 109.139 165.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.55 -63.37 1.17 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.529 1.532 . . . . 2.28 109.845 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.3 -48.25 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 123.788 0.835 . . . . 2.29 110.387 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.09 56.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.805 1.184 . . . . 1.57 110.66 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -64.66 -51.43 62.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.616 0.246 . . . . 2.27 110.36 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -56.42 4.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.329 1.061 . . . . 1.83 112.019 -175.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.23 -20.61 66.16 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.606 2.762 . . . . 2.29 109.177 -176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 m 77.65 61.13 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.262 1.825 . . . . 3.07 110.453 166.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 tp -142.78 -148.18 0.23 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.194 1.398 . . . . 2.77 108.17 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -145.7 148.0 32.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 119.896 1.225 . . . . 1.74 110.264 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.86 -46.93 43.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.744 2.018 . . . . 3.35 112.46 -173.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -71.71 -45.37 62.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.776 0.831 . . . . 6.63 110.246 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.58 -40.27 82.68 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.695 -0.628 . . . . 3.44 110.864 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.6 mt -55.8 -47.14 79.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.121 0.569 . . . . 1.77 109.93 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -54.08 -48.64 70.44 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.781 -0.574 . . . . 5.15 109.988 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.03 -47.02 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 118.627 -0.701 . . . . 3.23 110.712 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.29 -50.39 67.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.673 1.124 . . . . 0.82 109.685 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.6 -50.11 68.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.452 0.701 . . . . 2.39 110.508 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -55.22 -45.42 75.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.847 1.259 . . . . 4.53 110.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -61.06 2.5 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.101 1.36 . . . . 3.22 110.103 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -56.36 -47.04 79.68 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.059 0.944 . . . . 5.76 110.819 -172.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -77.42 9.24 3.38 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.547 0.943 . . . . 5.23 113.547 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.9 ttt -144.06 31.09 1.27 Allowed 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.305 1.042 . . . . 7.13 108.809 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -84.19 46.41 1.2 Allowed 'General case' 0 C--O 1.236 0.352 0 O-C-N 120.681 -1.262 . . . . 6.78 113.407 -163.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.4 t 54.06 37.49 27.02 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 124.556 1.142 . . . . 6.82 110.063 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' NZ ' ' O ' ' A' ' 68' ' ' HIS . 58.4 tttp -151.71 -38.62 0.12 Allowed 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.568 1.147 . . . . 5.71 109.679 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.54 50.12 0.81 Allowed 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 121.133 -0.98 . . . . 8.7 108.479 161.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -170.11 -89.6 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.019 1.728 . . . . 9.73 106.608 -167.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -88.71 170.04 11.14 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.105 0.962 . . . . 12.58 110.637 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 t -166.24 158.21 13.93 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.702 1.601 . . . . 11.76 108.209 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.77 3.06 3.48 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.098 1.359 . . . . 16.6 111.198 158.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -175.85 75.51 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.814 2.446 . . . . 15.23 109.119 174.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 t 48.73 27.63 1.6 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.302 1.041 . . . . 14.11 113.087 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m 156.58 159.06 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 129.623 3.169 . . . . 16.46 106.068 -163.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -80.63 -151.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.465 2.776 . . . . 18.69 106.81 161.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -83.7 138.16 33.43 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.056 -2.201 . . . . 22.38 105.056 159.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.411 ' O ' ' NZ ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 129.165 2.986 . . . . 23.13 108.866 -159.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 40.3 tpp . . . . . 0 N--CA 1.472 0.64 0 N-CA-C 106.025 -1.843 . . . . 32.08 106.025 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -146.8 164.81 31.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.106 1.362 . . . . 29.46 107.409 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t 61.71 -160.23 0.31 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.132 0.973 . . . . 25.76 110.868 167.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.89 33.96 21.1 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.074 1.35 . . . . 25.85 111.357 174.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -76.85 78.11 3.44 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.217 0.607 . . . . 22.66 109.701 -173.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.9 p 52.05 94.17 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.13 1.772 . . . . 16.71 113.257 164.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -45.6 -36.96 5.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.728 1.211 . . . . 13.37 112.025 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.18 -173.44 3.63 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.171 -1.048 . . . . 9.43 108.171 -173.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -73.56 -173.88 1.56 Allowed 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 126.84 2.056 . . . . 3.8 109.754 173.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 82.06 175.45 0.09 Allowed 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 130.458 3.503 . . . . 2.97 110.201 -172.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.08 165.77 29.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.77 1.628 . . . . 1.93 108.258 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -56.03 -51.29 68.34 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.019 -0.734 . . . . 9.01 109.019 171.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -50.92 -54.43 24.19 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.21 0.604 . . . . 2.27 110.289 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 9.4 mt-30 -57.62 -52.06 66.95 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 109.567 -0.531 . . . . 1.74 109.567 -173.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 m -52.06 -48.23 64.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.571 -0.741 . . . . 1.99 110.237 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -47.41 80.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.465 -0.779 . . . . 2.46 110.654 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.82 -44.54 92.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.709 1.14 . . . . 3.14 109.828 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mt -54.65 -46.15 73.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.919 0.39 . . . . 2.48 111.885 176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -46.06 85.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.797 0.839 . . . . 2.42 110.801 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -53.94 -49.81 67.85 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.147 -0.971 . . . . 4.22 109.289 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.61 -38.99 79.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.67 1.188 . . . . 3.39 110.758 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.62 -43.11 97.82 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.795 -0.565 . . . . 1.51 110.883 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -62.35 -32.05 72.78 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.866 -0.522 . . . . 3.34 110.49 173.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -47.81 79.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.699 -0.852 . . . . 3.58 108.699 176.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -165.66 154.01 11.3 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 122.763 0.425 . . . . 3.2 110.645 -172.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -82.41 -19.42 39.07 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.863 0.465 . . . . 4.86 111.442 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -137.93 125.17 21.68 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.164 1.785 . . . . 3.07 106.568 172.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.1 155.04 4.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 118.619 0.645 . . . . 2.8 109.834 178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.29 146.75 53.81 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 106.744 -1.576 . . . . 2.0 106.744 169.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -63.19 -35.98 82.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 117.97 -1.492 . . . . 4.6 110.837 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -55.74 16.63 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.049 -0.722 . . . . 5.57 109.049 174.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -65.68 -39.48 91.35 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.562 -0.455 . . . . 2.66 110.483 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.3 ttm105 -64.25 -44.35 92.06 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 120.483 -1.386 . . . . 3.47 110.534 -172.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.44 -47.16 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.759 -0.46 . . . . 1.97 109.759 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.52 -62.85 1.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.769 1.628 . . . . 1.73 109.316 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -64.84 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 C-N-CA 126.698 1.999 . . . . 2.89 107.725 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.77 -45.81 14.84 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 119.8 1.182 . . . . 1.88 110.991 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -64.75 -52.54 56.45 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.653 -1.158 . . . . 1.84 110.138 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.43 75.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.821 0.448 . . . . 1.94 111.999 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -81.74 -27.5 33.82 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 106.749 -1.574 . . . . 2.66 106.749 -163.149 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 79.97 44.81 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.867 2.067 . . . . 3.07 109.021 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.7 tp -156.66 141.49 17.02 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 108.089 -1.078 . . . . 2.91 108.089 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -77.33 155.26 32.1 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.105 0.78 . . . . 1.75 113.105 -159.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -59.1 -39.98 83.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.069 -0.715 . . . . 3.17 109.069 172.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -51.85 -58.58 6.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.108 0.963 . . . . 6.12 110.117 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -54.31 -49.81 68.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.874 0.47 . . . . 4.33 110.69 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.45 -48.19 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.833 0.853 . . . . 2.02 110.879 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -50.86 -50.97 55.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.897 0.879 . . . . 4.14 109.277 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mp -62.43 -54.98 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-O 118.203 -0.903 . . . . 2.56 109.555 173.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -47.89 -49.43 29.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 119.806 1.185 . . . . 0.85 110.572 -171.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -64.42 -40.18 95.26 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.546 0.738 . . . . 1.87 112.0 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -62.17 -42.1 98.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.45 1.1 . . . . 4.67 110.954 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.279 2.232 . . . . 4.08 109.605 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -46.61 -54.54 9.28 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.473 1.909 . . . . 5.16 111.278 -167.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.88 -18.22 4.63 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.875 1.065 . . . . 3.62 113.875 -175.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.7 ptm -141.06 31.19 1.78 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.373 0.669 . . . . 5.86 111.106 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -80.25 45.93 0.79 Allowed 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.266 -0.897 . . . . 5.9 112.794 -172.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m 34.12 46.6 0.16 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 127.939 2.495 . . . . 7.1 114.474 172.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.65 -51.98 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 105.246 -2.131 . . . . 8.72 105.246 -178.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -81.43 49.29 1.27 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 107.883 -1.154 . . . . 7.15 107.883 159.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -163.94 -96.02 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.866 2.466 . . . . 7.67 104.839 -175.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.3 99.31 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.633 1.573 . . . . 11.08 108.819 -178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -66.58 78.52 0.11 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.152 0.977 . . . . 12.58 112.37 -169.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.0 tp -163.24 160.02 23.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 127.383 2.273 . . . . 14.31 106.936 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -164.8 120.65 1.45 Allowed 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 103.224 -2.88 . . . . 16.1 103.224 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 p 48.56 -133.79 1.36 Allowed 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 112.761 0.652 . . . . 18.45 112.761 -159.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -157.43 -48.73 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 117.202 2.297 . . . . 21.06 117.202 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -80.84 75.97 4.76 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.727 2.285 . . . . 25.21 110.195 -164.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.74 -26.29 61.61 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.341 1.056 . . . . 26.93 111.542 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 CA--C 1.536 0.407 0 C-N-CA 128.746 2.818 . . . . 33.29 108.47 -176.713 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 108.619 -0.882 . . . . 25.51 108.619 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -61.36 121.52 12.83 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.372 0.669 . . . . 21.65 110.28 -178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.6 m -74.1 5.71 4.11 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.228 0.825 . . . . 20.45 113.228 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -54.82 -69.57 0.13 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.164 -1.421 . . . . 18.47 107.164 158.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 33.29 73.0 0.07 Allowed 'General case' 0 C--N 1.342 0.272 0 C-N-CA 126.89 2.076 . . . . 22.71 111.738 172.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.8 p 44.92 93.31 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 126.639 1.976 . . . . 14.0 111.922 -175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -103.95 72.06 1.08 Allowed 'General case' 0 C--O 1.227 -0.096 0 CA-C-O 121.85 0.833 . . . . 14.09 108.956 175.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.405 ' H ' ' NE2' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -65.0 -179.51 0.55 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.235 1.414 . . . . 8.24 110.083 172.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.04 172.57 11.45 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.182 1.793 . . . . 3.85 111.681 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -123.73 145.6 48.89 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 104.462 -2.421 . . . . 3.24 104.462 159.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.99 169.83 12.33 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.766 1.626 . . . . 2.28 107.489 170.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -48.96 79.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.143 -1.058 . . . . 6.78 108.143 173.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -50.94 -57.29 8.91 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 118.407 0.548 . . . . 2.0 110.378 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.15 -57.71 10.11 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.68 0.752 . . . . 2.27 109.032 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -53.19 -34.18 55.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.465 -1.255 . . . . 1.9 112.62 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -47.92 69.87 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 121.393 1.906 . . . . 1.82 108.601 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.97 -40.06 94.29 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.563 0.697 . . . . 3.09 109.662 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.44 -49.71 75.74 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.094 0.957 . . . . 2.86 111.559 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.9 -57.94 3.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.409 2.284 . . . . 3.99 111.495 173.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -61.87 -44.78 96.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.206 -0.598 . . . . 4.61 111.315 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' CD ' ' HE ' ' A' ' 30' ' ' ARG . 4.0 tp10 -59.78 -37.77 80.01 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-O 121.529 0.68 . . . . 3.89 110.221 177.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.39 -46.03 88.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.96 -0.462 . . . . 1.63 110.435 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.62 -34.61 69.49 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 110.514 -0.18 . . . . 3.41 110.514 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.87 -51.22 65.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.585 0.754 . . . . 3.44 110.33 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.54 110.99 0.67 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.212 1.005 . . . . 2.73 110.325 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -65.61 -10.47 35.95 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.216 1.406 . . . . 4.88 112.19 -173.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -125.18 95.88 4.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 105.635 -1.987 . . . . 3.36 105.635 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.21 151.01 10.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.278 -0.569 . . . . 2.82 110.688 -171.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -62.08 149.02 42.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.886 -1.153 . . . . 2.05 107.886 170.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -54.32 -49.12 70.43 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.816 0.734 . . . . 6.14 109.981 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -52.66 -57.95 8.42 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 108.863 -0.792 . . . . 5.05 108.863 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HE ' ' CD ' ' A' ' 19' ' ' GLU . 2.9 tpt85 -57.33 -36.84 71.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.609 0.568 . . . . 3.27 110.24 -175.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -71.83 -49.96 33.78 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.726 -0.609 . . . . 3.79 111.261 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.13 -41.78 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 119.488 1.04 . . . . 3.5 109.16 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.405 ' CG ' HH12 ' A' ' 30' ' ' ARG . 0.7 OUTLIER -53.37 -63.05 1.27 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.901 1.28 . . . . 1.91 107.569 178.574 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.43 -51.89 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 C-N-CA 122.328 0.251 . . . . 2.47 110.667 -178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.96 -38.81 24.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.142 0.428 . . . . 1.62 110.345 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.85 -68.73 0.46 Allowed 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.272 0.357 . . . . 1.85 110.18 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.36 80.13 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.138 0.975 . . . . 1.65 112.581 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 tt -78.76 -15.07 58.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.522 1.529 . . . . 2.19 109.855 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t 59.76 73.81 0.47 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.448 1.099 . . . . 2.85 109.933 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.79 -149.54 0.29 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 106.582 -1.636 . . . . 2.57 106.582 166.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -154.19 165.06 37.44 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 120.741 1.61 . . . . 1.56 110.514 172.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.48 -46.65 66.15 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.531 1.132 . . . . 5.6 112.561 -159.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.73 -40.55 97.55 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.173 -0.677 . . . . 8.69 109.173 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' NE2' ' H ' ' A' ' 6' ' ' GLN . 3.4 tt0 -59.39 -50.66 73.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.923 0.889 . . . . 5.09 109.238 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.61 -45.34 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 1.75 110.552 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.88 -51.36 61.43 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.236 -1.024 . . . . 4.67 108.236 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.2 -46.19 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.656 0.782 . . . . 3.22 111.274 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -58.83 -51.37 70.3 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 118.898 0.772 . . . . 0.79 109.195 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.96 -33.75 76.53 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.542 1.137 . . . . 2.19 111.805 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -61.47 -47.9 83.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.567 0.747 . . . . 4.5 109.603 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.87 -44.44 69.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.127 1.371 . . . . 3.28 108.782 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 tpt85 -49.31 -39.42 31.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.322 2.649 . . . . 5.18 112.413 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -49.75 -29.65 8.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.065 0.946 . . . . 3.73 112.153 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.8 ttp -123.87 49.19 1.77 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.814 1.246 . . . . 6.76 110.688 168.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -117.02 -106.52 0.39 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 105.058 -2.201 . . . . 8.91 105.058 158.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 m -84.62 60.72 6.27 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 122.323 1.059 . . . . 10.63 108.844 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.01 -19.48 0.1 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 126.337 1.855 . . . . 10.67 110.442 162.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -88.86 45.4 1.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.145 -1.057 . . . . 10.43 108.145 161.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -107.96 -63.64 1.3 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.974 2.11 . . . . 9.72 109.239 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -142.23 152.99 43.62 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.339 1.056 . . . . 18.17 108.888 173.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.65 159.94 17.94 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.004 0.922 . . . . 12.0 110.548 -176.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.7 tp -53.59 143.74 19.24 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.411 -0.959 . . . . 18.55 108.411 164.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -154.04 173.9 15.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.961 -1.496 . . . . 18.67 106.961 -170.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.8 t -161.02 -163.89 1.1 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.528 0.731 . . . . 23.0 109.575 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.348 45.9 t 128.63 -72.73 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.234 0 C-N-CA 130.305 3.442 . . . . 26.81 107.911 -172.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.83 63.91 3.97 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.587 2.858 . . . . 27.42 108.821 164.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -68.09 -25.61 65.41 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.2 0.524 . . . . 28.73 109.717 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 104.167 -2.531 . . . . 33.46 104.167 159.245 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 33.5 ttm . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 107.003 -1.48 . . . . 29.59 107.003 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 37.32 42.65 0.32 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.103 1.761 . . . . 23.54 114.743 158.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m -83.27 51.22 1.92 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.873 0.869 . . . . 23.4 110.543 -171.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -168.4 47.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.436 0.694 . . . . 23.97 110.544 -164.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.57 127.97 18.89 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.695 0.798 . . . . 22.72 109.262 174.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.7 p -153.99 106.79 2.87 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 103.968 -2.604 . . . . 14.75 103.968 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.28 149.67 3.86 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.708 1.603 . . . . 11.27 111.122 -168.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -65.01 161.54 18.5 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.844 -0.428 . . . . 6.31 109.844 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.344 0.1 OUTLIER 64.08 135.58 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 127.051 2.14 . . . . 4.88 112.773 -169.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -117.07 142.87 46.43 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 108.324 -0.991 . . . . 2.91 108.324 -163.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.48 163.42 23.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.772 0.796 . . . . 2.22 112.224 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -54.51 -47.97 72.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.596 -0.729 . . . . 6.14 109.273 169.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -63.48 -45.65 89.76 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-O 118.858 -0.592 . . . . 3.44 110.168 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -53.84 -51.04 64.84 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.114 -0.699 . . . . 1.99 109.114 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -59.83 -44.44 94.04 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.251 0.621 . . . . 1.66 111.597 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -47.68 81.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.396 0.998 . . . . 1.98 110.032 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -53.92 -48.77 69.85 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 124.365 1.066 . . . . 2.91 108.207 175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -42.17 98.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.826 0.85 . . . . 2.1 112.139 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.59 -46.6 78.76 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.88 -1.137 . . . . 2.91 111.452 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -32.29 73.88 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.836 -1.165 . . . . 4.58 110.245 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.58 -37.89 79.71 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 121.327 -0.858 . . . . 3.58 110.451 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.77 94.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.782 -1.192 . . . . 2.92 107.782 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.51 -34.93 73.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 122.016 -0.428 . . . . 3.47 111.297 172.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.9 -44.71 92.18 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.82 0.848 . . . . 2.89 109.736 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -170.45 148.39 3.13 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.598 1.159 . . . . 3.0 109.209 -175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -69.15 -29.94 68.07 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.446 -0.784 . . . . 5.39 111.163 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.47 141.84 28.71 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.457 1.503 . . . . 3.63 107.044 171.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -87.88 162.02 2.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.547 0.689 . . . . 2.38 112.615 -165.74 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.65 146.2 55.1 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.104 -1.443 . . . . 2.38 107.104 165.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -63.89 -36.05 82.67 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 118.544 -1.263 . . . . 5.36 110.762 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -54.82 -52.17 63.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.322 0.51 . . . . 5.71 110.406 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.66 -45.48 86.56 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.113 -0.699 . . . . 2.68 109.113 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG3' ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -59.31 -40.9 87.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.126 -0.359 . . . . 3.85 110.731 -177.228 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.58 -46.75 94.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 123.287 0.635 . . . . 2.51 110.366 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -63.03 1.28 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.55 -0.907 . . . . 2.31 108.55 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mm -40.14 -67.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 125.835 1.654 . . . . 2.56 110.542 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.82 -42.5 7.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.161 -0.962 . . . . 1.98 111.685 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -69.57 -45.7 68.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.67 0.388 . . . . 2.16 111.654 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.99 -51.04 5.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.881 1.324 . . . . 1.94 110.414 -172.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -14.29 62.83 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 128.227 2.611 . . . . 2.33 109.867 -177.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m 66.91 37.36 4.0 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 124.793 1.237 . . . . 2.7 111.603 165.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 tp -117.69 -163.96 0.97 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.649 -0.871 . . . . 2.31 108.649 163.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -144.2 148.82 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.933 1.242 . . . . 1.7 110.826 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -48.56 -49.16 37.6 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 123.596 0.758 . . . . 3.38 112.777 -171.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -56.76 -47.99 78.85 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 123.905 0.882 . . . . 5.75 110.777 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -48.9 79.93 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.291 1.036 . . . . 5.77 108.387 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -64.08 -46.92 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 124.971 1.309 . . . . 1.76 110.355 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -51.79 -53.0 44.75 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.94 -0.763 . . . . 5.56 108.94 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.64 -46.71 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.103 0.561 . . . . 2.56 110.414 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -55.56 -50.53 69.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.156 0.889 . . . . 0.75 109.812 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -56.67 -48.51 77.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.486 -0.561 . . . . 2.23 109.486 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -49.86 -55.01 15.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.035 0.834 . . . . 5.29 109.615 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.37 -46.13 46.76 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 125.906 1.682 . . . . 3.3 111.325 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.62 62.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.497 1.519 . . . . 5.75 110.9 -171.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -34.62 -61.37 0.4 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.461 1.104 . . . . 5.38 111.863 -176.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.4 mtp -120.63 68.06 0.86 Allowed 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.015 -1.105 . . . . 7.17 108.015 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -62.14 -20.91 64.59 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.234 -0.439 . . . . 5.46 110.806 168.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . 0.271 66.4 m 57.68 40.21 26.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 122.393 1.092 . . . . 5.62 112.28 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 -42.18 0.09 Allowed 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 113.244 -1.798 . . . . 7.03 108.396 158.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -81.01 49.06 1.18 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 107.081 -1.452 . . . . 9.55 107.081 162.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 60' ' ' ARG . 16.2 t0 174.69 -122.65 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.759 2.823 . . . . 7.28 104.245 -158.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.461 ' H ' ' CG ' ' A' ' 59' ' ' ASP . 60.2 mmt-85 -48.64 126.63 12.14 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.509 1.524 . . . . 10.25 111.81 -174.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.3 m -145.6 140.21 27.22 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.817 -1.549 . . . . 11.55 106.817 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 tp -165.05 -170.01 1.82 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.033 -2.21 . . . . 14.25 105.033 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.11 166.36 11.13 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.067 -1.457 . . . . 18.26 107.067 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -153.97 64.82 0.71 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.035 -1.098 . . . . 19.17 108.035 159.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 66' ' ' PRO 0.301 15.0 m -145.29 -86.53 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.576 0 CA-C-O 118.114 -0.946 . . . . 23.1 112.517 178.224 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 65' ' ' SER . 75.9 Cg_endo -71.21 72.3 2.2 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.939 3.093 . . . . 25.04 111.728 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.41 73.44 0.72 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 106.304 -1.739 . . . . 27.98 106.304 162.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 m80 . . . . . 0 N--CA 1.436 -1.141 0 C-N-CA 126.306 1.843 . . . . 31.18 110.983 -160.739 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 123.097 1.427 . . . . 25.78 109.566 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.87 65.83 8.49 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 123.139 1.447 . . . . 20.31 110.933 -158.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.1 t -81.27 61.23 4.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.321 -1.308 . . . . 21.6 108.144 166.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -140.97 -57.67 0.5 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.148 0.579 . . . . 20.26 110.29 -175.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 164.33 145.35 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 128.966 2.906 . . . . 22.43 103.741 -167.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.9 p 44.15 93.15 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 126.846 2.058 . . . . 14.12 111.958 169.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.43 97.84 10.1 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.458 -0.792 . . . . 14.4 109.726 -169.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.435 ' NE2' ' H ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -66.87 162.43 21.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.234 0.613 . . . . 8.09 109.524 173.204 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.435 ' H ' ' NE2' ' A' ' 6' ' ' GLN . 7.2 p -74.15 -173.65 1.71 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.594 1.958 . . . . 5.02 110.203 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 87.65 164.85 0.07 Allowed 'General case' 0 N--CA 1.434 -1.254 0 C-N-CA 130.597 3.559 . . . . 3.21 111.296 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.63 170.75 15.33 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.718 1.607 . . . . 1.92 108.319 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.17 -56.16 20.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.605 -0.887 . . . . 4.67 108.605 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.41 -55.5 18.34 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.033 0.533 . . . . 1.88 110.004 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -53.97 -52.48 60.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.912 0.387 . . . . 1.64 110.697 -175.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 m -58.87 -43.48 90.87 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.611 -0.709 . . . . 1.76 110.697 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.32 90.0 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.808 1.185 . . . . 1.78 109.295 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -53.82 -54.79 33.44 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.094 -1.076 . . . . 3.51 108.094 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.78 -33.68 73.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.828 1.651 . . . . 2.37 112.594 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -51.64 30.81 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.927 -1.138 . . . . 2.32 107.927 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 51.31 0.89 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.794 1.283 . . . . 4.39 111.236 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.45 -38.81 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 129.759 3.224 . . . . 3.11 105.609 -172.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -63.15 -33.57 75.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.708 -1.245 . . . . 1.39 109.408 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.18 -30.9 71.45 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.963 -1.086 . . . . 4.15 111.337 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -64.99 -61.41 2.17 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.422 1.489 . . . . 2.91 110.044 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.63 108.08 0.09 Allowed 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.292 1.037 . . . . 2.47 109.019 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -56.31 23.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 121.371 0.605 . . . . 8.59 110.88 -168.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -78.07 90.55 4.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.609 -1.626 . . . . 2.99 106.609 167.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.56 151.09 9.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.884 0.373 . . . . 2.84 110.856 -171.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -57.48 144.31 37.26 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 107.428 -1.323 . . . . 2.08 107.428 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -56.82 -43.85 81.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.372 0.987 . . . . 8.99 110.195 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -61.53 -47.7 84.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.625 -0.43 . . . . 7.46 110.157 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -60.41 -43.74 96.41 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 109.509 -0.552 . . . . 2.68 109.509 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -63.77 -41.95 97.89 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.771 -0.581 . . . . 3.35 109.457 -175.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.44 -49.49 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.655 0.661 . . . . 2.42 110.243 172.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -63.0 1.29 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.361 1.064 . . . . 2.0 108.134 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.63 -53.53 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 124.348 1.059 . . . . 2.25 110.74 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.44 18.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.952 0.796 . . . . 1.74 110.138 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.66 -69.5 0.32 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.706 -0.679 . . . . 1.79 110.381 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.02 79.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.172 0.989 . . . . 1.51 112.853 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 -8.35 59.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.274 1.83 . . . . 2.12 110.078 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 51.99 63.93 2.05 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.449 1.499 . . . . 2.85 113.016 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -147.02 157.53 43.64 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.548 -0.908 . . . . 2.92 108.548 166.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 p -83.02 147.87 27.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.36 0.982 . . . . 1.96 109.988 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -39.83 90.9 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 124.856 1.262 . . . . 4.71 110.65 -175.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.53 -51.81 67.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.505 0.722 . . . . 6.03 109.826 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.58 -42.95 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.835 0.854 . . . . 5.06 109.983 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.57 -51.98 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.163 1.385 . . . . 1.87 110.418 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -51.06 -48.33 61.59 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.004 0.82 . . . . 4.04 108.817 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.17 -48.42 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 118.248 -0.882 . . . . 3.28 110.469 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -54.15 -48.56 70.74 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.044 1.293 . . . . 0.67 110.957 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -70.42 -19.06 63.02 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.547 -0.721 . . . . 1.89 111.864 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -55.87 10.4 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.835 -0.802 . . . . 4.16 108.835 163.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -55.48 8.6 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.636 1.974 . . . . 2.94 111.784 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -50.73 8.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.568 1.947 . . . . 6.25 111.136 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -49.81 -38.28 33.99 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.998 0.74 . . . . 5.23 112.998 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 51.1 mtm -135.22 43.98 2.62 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.158 0.583 . . . . 5.56 111.067 -171.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -79.0 46.38 0.69 Allowed 'General case' 0 CA--C 1.537 0.442 0 O-C-N 120.927 -1.108 . . . . 6.63 111.798 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' ARG . 49.4 m 63.54 83.53 0.16 Allowed 'General case' 0 C--O 1.21 -1.008 0 C-N-CA 126.089 1.756 . . . . 6.47 111.274 171.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER 58.07 23.85 10.53 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.046 1.338 . . . . 7.37 111.636 -166.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt 41.11 34.0 0.27 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.811 2.044 . . . . 9.68 111.51 -159.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -173.34 -78.28 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 122.993 0.517 . . . . 12.08 109.794 -160.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -162.37 108.86 1.27 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 107.879 -1.156 . . . . 15.93 107.879 -173.429 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.3 t -85.36 -172.78 4.33 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.203 0.525 . . . . 13.2 111.683 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -95.25 107.5 19.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.069 1.747 . . . . 16.75 106.438 166.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -103.62 14.98 29.99 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 128.385 2.674 . . . . 19.95 111.299 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 p 58.95 -148.33 0.48 Allowed 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.794 1.638 . . . . 21.77 111.35 -175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 t -174.98 81.0 0.32 Allowed Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 124.814 1.245 . . . . 26.06 108.182 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.25 173.68 14.09 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.239 1.959 . . . . 28.95 109.885 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.01 -134.09 0.12 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 106.794 -1.558 . . . . 35.13 106.794 175.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.0 m80 . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 120.082 1.31 . . . . 40.05 109.953 167.397 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.9 ptp . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 108.621 -0.881 . . . . 27.37 108.621 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.33 40.04 3.78 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.06 0.457 . . . . 20.57 112.106 -158.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m -72.93 66.07 0.77 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.499 0.72 . . . . 16.99 109.22 168.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -75.06 64.12 1.33 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.026 0.93 . . . . 19.69 110.786 -173.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.57 -172.06 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 128.992 2.917 . . . . 20.67 112.072 -166.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.1 p 44.11 93.29 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.844 2.058 . . . . 11.95 112.85 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -79.0 -39.8 33.19 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.636 0.774 . . . . 12.55 110.91 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -67.44 154.87 40.36 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.737 0.78 . . . . 7.25 112.25 -161.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.8 p -93.55 166.03 12.45 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.677 1.991 . . . . 3.77 114.185 -162.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -135.23 159.53 41.26 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 127.228 2.211 . . . . 3.37 105.373 159.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.67 169.69 17.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.606 1.162 . . . . 2.38 108.092 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -58.0 -54.61 44.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.697 -0.853 . . . . 6.83 108.697 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -49.95 -54.57 19.01 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.868 0.867 . . . . 2.0 110.062 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.74 -62.57 1.57 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 119.146 -0.454 . . . . 4.34 110.488 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.2 m -46.74 -44.16 18.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.495 -0.764 . . . . 2.09 111.165 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -53.48 57.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.705 1.138 . . . . 2.03 109.828 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.61 -45.66 81.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.351 1.072 . . . . 3.13 110.301 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.33 -32.12 73.6 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.86 2.064 . . . . 2.75 111.684 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -43.56 63.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.678 1.126 . . . . 2.4 108.564 176.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -50.26 67.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.879 0.847 . . . . 4.75 109.199 171.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.18 -34.0 72.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.877 0.871 . . . . 3.6 112.343 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.84 -50.38 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.458 -0.777 . . . . 1.56 110.004 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -54.37 -37.05 64.54 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.949 0.499 . . . . 4.13 110.405 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -63.63 -61.47 2.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.988 0.515 . . . . 3.21 110.322 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -155.07 105.52 2.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 123.919 0.887 . . . . 3.09 109.349 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptt85 -63.18 -8.66 8.53 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.474 1.11 . . . . 4.94 111.724 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -135.32 91.05 2.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.265 2.226 . . . . 3.24 105.064 167.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.36 149.13 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.438 -0.788 . . . . 2.8 109.881 -173.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.81 149.58 46.61 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.953 -1.023 . . . . 1.84 108.694 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 -55.17 -47.01 75.76 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 120.866 1.666 . . . . 5.48 110.354 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -56.07 -51.4 68.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.96 -0.385 . . . . 6.06 109.96 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.77 85.92 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.634 -0.506 . . . . 4.14 109.634 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -60.76 -43.69 97.69 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.758 0.823 . . . . 3.2 110.214 -174.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.4 -45.73 85.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 O-C-N 121.513 -0.742 . . . . 2.48 110.227 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.8 -63.04 1.28 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.999 -0.741 . . . . 1.94 108.999 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -61.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 126.099 1.76 . . . . 2.67 108.215 175.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.36 -42.84 32.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.92 0.782 . . . . 1.68 111.143 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -63.03 -55.93 21.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.539 -0.541 . . . . 2.38 109.539 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.35 70.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.174 0.59 . . . . 1.7 112.334 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -4.9 58.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.448 1.099 . . . . 2.47 108.325 -171.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.5 t 62.39 43.22 8.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.134 1.774 . . . . 2.9 112.011 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tp -134.27 -147.89 0.3 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.983 1.313 . . . . 2.77 111.477 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.4 p -153.34 156.26 38.0 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.092 -1.005 . . . . 1.59 111.822 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.52 -45.29 77.13 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.251 1.02 . . . . 3.48 110.064 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.56 -54.02 46.83 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.583 1.153 . . . . 8.73 110.765 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -57.35 -50.86 71.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.35 0.66 . . . . 3.67 109.78 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.17 -44.95 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.771 -0.65 . . . . 1.79 110.618 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -51.07 61.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.1 0.56 . . . . 5.4 109.75 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -58.12 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 118.166 -0.921 . . . . 2.8 110.12 173.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -47.64 -48.2 28.86 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.306 -0.627 . . . . 0.83 109.306 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -54.73 32.52 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.421 1.488 . . . . 2.34 111.476 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -49.87 -46.7 51.79 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.569 0.622 . . . . 3.56 110.342 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -56.48 21.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.478 1.911 . . . . 4.7 110.592 174.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -44.46 -40.02 5.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.865 1.666 . . . . 5.21 114.641 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.58 -36.07 73.39 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 3.81 112.23 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 65.2 mtt -118.47 58.37 0.83 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 126.771 2.028 . . . . 5.62 107.6 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.54 -99.76 0.07 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.783 -1.192 . . . . 6.05 107.783 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 m -83.94 60.1 5.63 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.773 0.797 . . . . 8.73 110.388 -173.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' NZ ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -161.62 -38.29 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.456 1.902 . . . . 8.34 108.581 158.513 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' NZ ' ' O ' ' A' ' 68' ' ' HIS . 3.5 mmtp -81.61 44.21 0.8 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.438 1.495 . . . . 9.17 110.683 159.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' OD1' ' NZ ' ' A' ' 57' ' ' LYS . 13.4 p30 -105.17 -44.37 4.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 130.367 3.467 . . . . 8.6 107.702 172.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -175.73 105.76 0.08 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 128.569 2.748 . . . . 11.58 106.828 164.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.2 t -84.26 -167.1 1.63 Allowed 'General case' 0 C--N 1.345 0.409 0 N-CA-C 112.917 0.71 . . . . 9.68 112.917 -171.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.5 tp -139.69 159.66 41.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.027 2.131 . . . . 16.38 106.709 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t0 56.01 66.1 1.28 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 127.409 2.283 . . . . 17.25 108.464 -174.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -76.32 75.64 3.11 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.465 -1.698 . . . . 17.65 109.994 -172.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.256 14.5 m -145.33 -71.32 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 125.547 1.539 . . . . 20.68 110.457 168.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.7 64.92 6.68 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 124.17 3.247 . . . . 22.08 109.785 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -67.53 -26.51 66.36 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.403 2.001 . . . . 20.39 116.403 -158.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.415 ' O ' ' NZ ' ' A' ' 58' ' ' LYS 0.35 37.1 p-80 . . . . . 0 N--CA 1.466 0.36 0 C-N-CA 127.735 2.414 . . . . 23.71 115.354 177.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 104.354 -2.461 . . . . 30.61 104.354 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -141.9 -168.79 2.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.116 0.885 . . . . 23.75 111.018 -158.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t -170.14 171.17 7.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 104.616 -2.365 . . . . 20.46 104.616 -171.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -78.2 62.03 2.82 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.503 0.592 . . . . 20.9 110.313 -176.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 34.75 -103.2 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.115 2.566 . . . . 21.63 112.164 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 p -153.71 101.74 2.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.238 1.815 . . . . 13.14 106.857 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 68.08 0.3 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.939 1.295 . . . . 11.41 109.894 176.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 159.12 0.78 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.507 0.723 . . . . 6.55 110.85 -172.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p 72.61 152.64 0.13 Allowed 'General case' 0 N--CA 1.42 -1.949 0 C-N-CA 128.078 2.551 . . . . 4.59 110.509 -158.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -134.23 151.29 51.22 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.286 -2.116 . . . . 4.07 105.286 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.65 163.74 20.77 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.221 -0.592 . . . . 1.52 111.058 167.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.68 -53.52 53.82 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.889 -0.782 . . . . 4.6 108.889 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.85 -48.35 75.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.156 -0.475 . . . . 3.17 110.016 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -56.43 -55.18 36.77 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.34 -0.985 . . . . 3.08 108.34 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -51.22 -48.85 61.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.641 0.655 . . . . 1.68 112.162 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -47.81 82.23 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.551 -0.718 . . . . 2.05 109.498 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -62.31 -41.75 98.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.447 0.699 . . . . 2.77 110.359 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.3 -38.04 79.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.716 1.207 . . . . 3.28 110.927 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' CD ' ' HZ2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -69.02 -41.68 77.41 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.247 -1.533 . . . . 3.18 108.525 175.265 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -59.8 -35.45 74.7 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.855 -1.153 . . . . 4.06 111.22 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -62.49 -41.06 98.54 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.972 1.709 . . . . 4.08 110.35 172.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.04 -46.11 89.08 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.396 -1.335 . . . . 2.38 107.396 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -39.42 79.18 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.507 0.723 . . . . 6.77 111.527 171.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -63.67 -37.69 88.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.207 1.003 . . . . 2.53 108.679 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.21 119.43 0.09 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.822 1.649 . . . . 3.07 108.431 -175.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -56.38 -40.13 74.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.325 -0.369 . . . . 5.44 110.44 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -118.77 101.06 7.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.447 1.099 . . . . 4.66 108.484 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.6 143.16 15.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.306 0.642 . . . . 3.96 110.337 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -57.31 152.55 13.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.755 -0.657 . . . . 1.98 109.407 161.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -56.36 -41.23 75.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.957 -0.697 . . . . 4.76 110.243 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -50.99 71.21 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.459 0.572 . . . . 4.51 111.106 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -59.58 -39.93 85.75 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.359 0.599 . . . . 2.68 109.653 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -64.7 -43.47 93.38 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.396 -0.366 . . . . 3.81 111.457 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -59.19 -49.02 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.29 0.636 . . . . 2.39 109.708 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.81 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 126.445 1.898 . . . . 2.06 108.75 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.03 -55.77 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.87 0.868 . . . . 2.41 110.787 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.25 18.9 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.922 1.237 . . . . 1.69 110.807 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -67.37 -59.36 3.46 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.349 0.66 . . . . 1.78 110.692 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.27 13.76 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.552 1.168 . . . . 1.87 111.298 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -15.14 63.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.277 2.231 . . . . 2.05 109.54 -175.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.7 m 75.34 51.99 0.07 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.474 1.509 . . . . 3.35 111.478 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.19 -178.98 5.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.25 -0.278 . . . . 4.15 110.25 173.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.56 135.57 48.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.597 0.237 . . . . 1.98 110.56 -173.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.12 -50.29 8.63 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.596 1.558 . . . . 4.53 112.422 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -40.45 89.76 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.135 -0.978 . . . . 10.28 111.236 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.8 -45.26 95.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 122.105 0.955 . . . . 3.96 109.983 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -47.37 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 C-N-CA 125.127 1.371 . . . . 3.5 109.244 172.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -52.99 -53.68 46.35 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.588 -0.893 . . . . 4.9 108.588 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.5 mt -59.18 -42.61 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 122.793 0.437 . . . . 3.26 110.625 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -55.8 -55.49 31.77 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.843 0.457 . . . . 0.57 110.276 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.41 -48.89 76.02 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.272 1.429 . . . . 2.07 110.227 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -46.99 80.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.474 1.11 . . . . 3.88 109.367 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -59.51 4.68 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.437 -1.32 . . . . 3.36 107.437 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -51.22 -45.7 62.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.943 1.297 . . . . 5.78 110.73 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.81 -57.3 0.04 OUTLIER 'General case' 0 C--N 1.347 0.467 0 C-N-CA 126.817 2.047 . . . . 5.2 114.784 175.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 42.0 mtt -138.96 45.58 1.99 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.972 0.909 . . . . 7.29 109.051 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -118.37 -105.53 0.39 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 105.652 -1.981 . . . . 7.47 105.652 164.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -83.88 65.51 8.65 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 122.305 1.05 . . . . 8.16 108.92 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HZ2' ' CD ' ' A' ' 17' ' ' GLU . 1.3 tppp? -150.91 -47.57 0.12 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.09 1.756 . . . . 12.44 107.903 163.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -77.14 50.4 0.75 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.883 0.873 . . . . 12.34 108.874 166.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.66 -72.64 0.13 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.896 1.678 . . . . 8.52 111.661 -161.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.43 114.01 4.53 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.181 -0.463 . . . . 14.19 111.462 -159.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.267 6.0 t 45.53 44.01 9.5 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.565 1.546 . . . . 13.56 111.407 -171.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.66 152.69 49.74 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.271 1.429 . . . . 12.9 107.175 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -105.09 164.73 11.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 103.909 -2.626 . . . . 13.96 103.909 158.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -164.59 63.94 0.14 Allowed 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.65 -1.241 . . . . 15.2 107.65 168.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 p -53.57 114.83 6.77 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 105.497 -2.038 . . . . 18.31 105.497 167.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.55 95.46 0.46 Allowed 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 122.462 2.108 . . . . 21.19 114.928 -158.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.11 -26.57 61.29 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 108.109 -1.071 . . . . 23.47 108.109 158.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.02 0 C-N-CA 130.602 3.561 . . . . 25.12 104.999 158.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 106.831 -1.544 . . . . 22.98 106.831 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -165.23 170.44 14.81 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 107.486 -1.302 . . . . 18.02 107.486 -168.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 m -70.9 51.8 0.15 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.17 0.988 . . . . 15.37 111.073 168.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 34.16 46.26 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.223 1.809 . . . . 18.78 113.8 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 58.95 40.62 22.26 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 126.277 1.831 . . . . 21.93 113.552 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -153.76 111.8 3.57 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 104.61 -2.367 . . . . 12.19 104.61 171.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.14 81.45 0.12 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.512 1.925 . . . . 11.1 111.356 174.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -62.05 155.85 22.93 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 121.721 -0.612 . . . . 7.93 109.696 167.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -81.97 -173.83 4.71 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.095 1.358 . . . . 3.65 113.016 -172.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -132.11 166.03 22.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 127.57 2.348 . . . . 3.47 106.602 161.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 168.78 19.33 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.893 2.077 . . . . 1.89 105.876 173.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.98 46.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.487 -0.931 . . . . 6.47 108.487 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -56.25 7.94 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 124.025 0.93 . . . . 3.96 110.528 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -55.87 25.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.834 0.349 . . . . 2.33 110.669 -173.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -55.02 -45.08 75.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.284 -0.865 . . . . 1.93 111.206 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -51.48 65.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 119.925 1.238 . . . . 2.09 110.227 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -55.56 -52.97 61.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.824 0.821 . . . . 3.26 109.094 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.2 -35.76 74.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.755 -0.657 . . . . 2.18 112.722 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -38.43 71.62 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.698 0.681 . . . . 2.36 109.723 178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.68 -47.83 81.22 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.441 -0.787 . . . . 6.33 110.111 169.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.59 -41.02 80.34 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 122.727 1.251 . . . . 3.35 111.199 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -63.39 -37.84 88.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 1.9 110.588 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.96 -27.38 68.8 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.752 -0.593 . . . . 3.38 110.963 170.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -52.57 60.19 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.555 -0.905 . . . . 3.25 108.555 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -168.66 166.19 11.89 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 2.92 110.084 -170.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -96.35 3.62 52.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.427 1.091 . . . . 6.43 111.725 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -171.71 88.48 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.613 1.565 . . . . 3.5 108.265 -167.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.39 140.93 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.249 -1.019 . . . . 3.45 108.249 -173.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -56.02 151.23 12.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.732 0.696 . . . . 2.36 110.959 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.421 0.555 . . . . 5.76 110.425 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.79 85.02 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.752 0.706 . . . . 5.12 109.853 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.63 -32.71 74.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.426 0.69 . . . . 4.21 110.06 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -77.71 -35.58 51.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.425 1.09 . . . . 3.72 111.087 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.9 -46.37 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 1.98 108.71 169.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.53 -63.2 1.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.106 1.763 . . . . 1.89 109.034 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.12 -52.73 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 123.434 0.693 . . . . 2.12 111.071 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.52 -41.02 28.79 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.545 1.066 . . . . 1.61 110.595 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.19 -54.64 11.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.481 -0.327 . . . . 2.07 110.72 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.83 67.21 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 1.84 111.755 -175.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -42.21 86.36 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.027 1.731 . . . . 2.12 108.663 -175.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t 95.61 72.35 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.556 2.743 . . . . 2.5 110.102 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 tp -158.59 -162.34 1.1 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.293 1.437 . . . . 2.57 108.055 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.0 p -133.74 156.96 47.02 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 120.707 1.594 . . . . 1.3 112.347 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.51 -32.79 72.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 4.03 111.57 -173.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -64.38 -51.7 61.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.557 -1.339 . . . . 6.46 109.947 172.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.57 -51.29 67.92 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.959 1.304 . . . . 3.79 109.458 -172.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -58.62 -47.12 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 124.19 0.996 . . . . 2.34 110.652 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -55.83 -46.34 78.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 118.743 -0.646 . . . . 5.75 111.337 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.6 mt -54.86 -56.94 8.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 118.721 0.692 . . . . 3.19 109.309 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -49.86 -47.12 51.96 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.969 -0.539 . . . . 0.64 109.95 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.08 -58.13 10.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.247 0.619 . . . . 2.27 110.761 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -48.51 -43.72 35.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.065 0.946 . . . . 4.56 110.897 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -65.34 0.71 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.85 1.66 . . . . 4.33 110.149 172.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.7 tpt85 -51.85 -39.38 58.79 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.829 2.052 . . . . 5.44 114.184 -173.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -13.81 61.36 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 113.92 1.082 . . . . 6.47 113.92 -168.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -155.06 54.33 0.64 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.33 -1.359 . . . . 6.89 107.33 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -83.68 -73.16 0.43 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 116.257 1.947 . . . . 5.42 116.257 -165.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -152.07 40.22 0.62 Allowed 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.746 -1.205 . . . . 5.29 107.746 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -168.54 -24.08 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.055 -0.975 . . . . 8.42 111.816 -166.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 34.07 5.35 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 120.011 1.278 . . . . 8.53 112.27 171.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -157.64 -55.3 0.07 Allowed 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.406 -0.961 . . . . 9.16 108.406 -162.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -129.33 166.8 18.77 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.857 2.463 . . . . 11.81 104.863 162.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 m 48.23 51.4 14.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.49 0.662 . . . . 9.12 109.764 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.11 110.57 1.24 Allowed 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.793 -0.817 . . . . 14.14 108.793 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.86 145.8 25.19 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 104.475 -2.417 . . . . 13.45 104.475 -176.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.48 135.89 0.19 Allowed 'General case' 0 N--CA 1.436 -1.168 0 O-C-N 124.26 0.975 . . . . 17.02 108.738 158.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -63.23 3.89 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 117.992 0.36 . . . . 20.5 110.401 160.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.3 69.01 7.32 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 123.648 2.898 . . . . 21.82 109.225 171.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -98.15 -136.19 0.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 106.693 -1.595 . . . . 23.25 106.693 164.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 105.742 -1.947 . . . . 25.94 105.742 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 92.7 mtp . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 106.253 -1.758 . . . . 29.38 106.253 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -160.88 151.94 18.78 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 106.512 -1.662 . . . . 24.32 106.512 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.0 m 47.44 78.8 0.07 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.631 1.573 . . . . 23.64 111.285 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 87.0 mttt 75.98 -47.0 0.56 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.768 1.627 . . . . 26.92 112.415 177.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -83.38 0.07 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.989 2.115 . . . . 27.94 109.164 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.74 107.84 1.95 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.514 1.126 . . . . 17.48 107.974 175.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -72.54 -50.46 25.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.332 1.453 . . . . 14.76 110.52 -171.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.84 -173.51 0.6 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 127.186 2.194 . . . . 10.01 105.743 -167.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -73.35 -173.75 1.45 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 125.178 1.391 . . . . 4.27 109.424 168.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 72.54 141.0 0.06 Allowed 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 129.291 3.036 . . . . 3.15 110.792 -173.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 161.09 29.86 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 2.68 111.671 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -57.83 -51.05 71.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.445 -0.946 . . . . 6.28 108.445 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.41 -47.72 62.87 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 123.451 0.7 . . . . 2.16 110.23 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.59 -56.32 18.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.061 -0.718 . . . . 1.56 109.061 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 m -56.58 -47.63 79.13 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.981 0.512 . . . . 1.76 111.403 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -48.63 79.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.113 0.565 . . . . 2.19 109.901 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -54.24 -43.32 70.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.278 1.431 . . . . 3.04 109.163 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.22 -42.11 84.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.54 1.136 . . . . 2.28 112.486 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -36.57 70.0 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.4 -1.333 . . . . 3.11 107.4 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -59.28 -48.58 81.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.731 -1.231 . . . . 3.76 110.045 170.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -56.6 -36.23 69.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.986 -1.071 . . . . 3.22 111.612 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.38 -42.76 98.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.273 -0.876 . . . . 1.68 109.043 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.76 -25.62 66.63 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 119.09 -0.481 . . . . 3.41 111.631 170.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -58.63 6.29 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 107.972 -1.121 . . . . 3.19 107.972 175.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -158.89 135.51 9.41 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.652 -1.61 . . . . 3.69 106.652 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -60.72 -19.77 59.58 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.408 0.549 . . . . 7.08 110.987 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -133.99 97.42 3.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.452 1.901 . . . . 2.98 109.617 168.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.34 155.07 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 109.004 -0.739 . . . . 3.89 109.004 165.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.75 152.92 37.98 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.429 0.691 . . . . 2.21 110.647 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.54 -52.34 65.96 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.329 -0.857 . . . . 7.24 109.911 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -40.8 -55.95 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.99 1.316 . . . . 4.47 110.129 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -70.09 -38.65 75.74 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 119.658 -0.817 . . . . 2.83 109.941 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm105 -59.82 -47.99 83.47 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.714 1.143 . . . . 5.31 111.736 -172.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.39 -56.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 122.211 1.005 . . . . 3.51 109.381 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.09 -63.05 1.27 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.179 2.592 . . . . 3.47 109.026 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -59.36 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 126.244 1.817 . . . . 2.74 108.773 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.19 -38.85 63.2 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 119.396 0.998 . . . . 2.02 110.717 -173.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.09 -60.41 3.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.169 0.918 . . . . 2.29 108.686 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.75 67.7 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.56 0.948 . . . . 2.01 113.56 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 -4.18 53.7 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 2.03 109.147 -170.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.61 40.5 4.46 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.487 1.515 . . . . 3.68 112.449 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -121.29 -140.3 0.33 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 107.68 -1.23 . . . . 2.56 107.68 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 p -151.61 168.45 24.91 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 120.773 1.624 . . . . 1.69 109.437 169.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -65.65 -39.21 91.14 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.249 1.024 . . . . 3.49 109.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -59.51 5.23 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.641 0.776 . . . . 10.36 109.018 171.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.53 -39.92 92.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.098 -0.477 . . . . 4.42 111.554 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.91 -54.61 32.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 N-CA-C 108.596 -0.89 . . . . 1.88 108.596 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -51.43 -49.02 62.48 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.546 0.612 . . . . 5.76 110.907 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.4 mt -63.19 -42.94 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.314 0.645 . . . . 2.88 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -59.03 -49.57 77.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.417 0.687 . . . . 0.74 110.114 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.59 -53.97 51.36 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.291 -1.003 . . . . 1.76 108.291 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -47.05 -54.22 10.81 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.778 -0.453 . . . . 3.9 109.778 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.78 -45.65 89.35 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.664 1.186 . . . . 3.77 108.861 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -83.74 -5.58 59.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.102 1.361 . . . . 6.46 112.091 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -77.73 -68.46 0.62 Allowed 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.175 -1.787 . . . . 4.37 106.175 158.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.429 ' C ' ' H ' ' A' ' 56' ' ' SER . 30.5 ttm -81.8 43.89 0.79 Allowed 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 124.087 0.867 . . . . 5.98 109.182 -168.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -83.63 22.3 1.11 Allowed 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 120.849 -1.157 . . . . 6.99 111.918 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 54' ' ' MET . 49.2 m 33.48 50.64 0.29 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 126.665 1.986 . . . . 6.83 111.302 -159.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.57 -36.18 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.65 0.611 . . . . 7.5 112.65 175.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.75 34.5 0.72 Allowed 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.422 0.63 . . . . 8.27 110.875 159.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -179.95 -115.37 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.445 3.098 . . . . 8.98 104.692 -158.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -94.13 54.06 1.84 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.337 -1.477 . . . . 12.16 112.316 -159.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.7 m 33.29 61.67 0.42 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.844 1.794 . . . . 9.17 115.844 158.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.2 tp -136.76 -133.98 0.14 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.17 0.988 . . . . 13.99 109.975 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -105.32 -147.19 0.39 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.689 1.996 . . . . 16.11 110.769 -161.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 t -162.83 53.47 0.19 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.747 0.819 . . . . 17.58 109.32 164.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.5 t 90.5 143.38 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 104.378 -2.453 . . . . 21.32 104.378 -158.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.69 72.5 3.09 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.831 2.354 . . . . 21.97 110.637 -176.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE2' ' NZ ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -91.36 176.06 6.7 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 126.145 1.778 . . . . 25.14 108.154 167.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 125.175 1.39 . . . . 26.86 109.619 174.123 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 10.4 ptp . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 106.847 -1.538 . . . . 32.7 106.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -68.69 71.22 0.2 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.77 1.168 . . . . 30.5 108.111 164.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.8 m 53.88 -119.76 1.54 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 107.699 -1.223 . . . . 27.96 107.699 -159.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.44 64.57 1.63 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.157 1.383 . . . . 26.52 112.35 170.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -150.57 145.52 25.98 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 106.479 -1.675 . . . . 27.03 106.479 169.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.3 p -153.81 97.22 2.07 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.962 0.905 . . . . 17.63 108.748 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.66 118.91 8.28 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.261 -1.755 . . . . 15.64 106.261 164.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -177.98 0.22 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.25 0.62 . . . . 11.42 110.61 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.1 -174.22 1.85 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.568 1.947 . . . . 5.22 111.385 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 72.44 140.84 0.06 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 129.141 2.976 . . . . 4.13 113.462 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.55 157.23 37.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.655 -0.702 . . . . 2.22 110.205 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -54.12 -52.22 61.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.386 -0.968 . . . . 5.11 108.386 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -52.79 -45.94 67.41 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.494 0.496 . . . . 3.09 110.623 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.01 -57.83 9.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.173 0.511 . . . . 1.69 110.528 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -60.3 -46.49 89.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 119.207 -0.425 . . . . 1.76 111.252 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -47.84 80.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.881 0.764 . . . . 1.67 109.216 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.1 -53.28 55.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.638 1.175 . . . . 3.04 108.572 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.346 0.658 . . . . 2.29 112.636 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.13 -47.74 64.27 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 121.02 -1.05 . . . . 2.57 108.863 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -62.9 -35.66 80.79 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.999 -1.063 . . . . 3.8 111.863 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -54.08 -49.37 69.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.468 1.107 . . . . 3.73 108.783 171.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -63.69 -42.48 98.0 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.072 0.549 . . . . 2.55 110.912 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.82 -31.11 72.04 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.03 0.532 . . . . 3.7 110.808 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.86 -50.58 68.28 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.234 -1.025 . . . . 3.71 108.234 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -169.39 162.61 10.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.632 -1.247 . . . . 3.04 107.632 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -87.66 5.91 37.35 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.767 1.025 . . . . 6.81 113.767 -170.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 177.14 104.23 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.32 1.418 . . . . 3.09 107.841 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.3 173.85 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 4.12 109.884 -161.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.26 144.39 55.65 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 119.34 0.973 . . . . 2.92 108.877 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -57.17 -44.73 83.8 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.073 0.852 . . . . 5.28 110.021 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.5 tpt85 -49.33 -51.72 32.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.025 0.375 . . . . 5.28 110.477 175.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -71.99 -35.73 69.56 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.508 0.505 . . . . 2.98 111.086 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -34.32 65.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.532 -1.355 . . . . 6.93 109.815 -177.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -59.2 -53.24 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 107.944 -1.132 . . . . 2.25 107.944 165.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -53.85 -62.99 1.29 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 105.625 -1.991 . . . . 2.51 105.625 -167.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 126.528 1.931 . . . . 1.91 108.957 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.91 52.79 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.894 0.77 . . . . 2.09 110.164 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -62.49 -36.39 82.35 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.057 -0.974 . . . . 2.55 110.407 -175.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.38 26.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 1.89 112.628 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -28.84 26.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.199 0.999 . . . . 2.06 108.616 -163.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t 79.55 41.12 0.08 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.629 1.571 . . . . 2.94 111.486 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.4 159.94 26.49 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 105.389 -2.078 . . . . 2.58 105.389 163.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.7 p -85.02 162.8 19.2 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 119.234 -0.987 . . . . 2.2 110.743 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.67 55.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.915 -0.772 . . . . 3.67 108.915 174.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.61 88.18 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.521 1.129 . . . . 6.73 108.977 -176.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.03 -44.55 88.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.862 -0.589 . . . . 4.02 110.899 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.8 mt -59.06 -49.62 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 119.313 0.96 . . . . 2.27 110.537 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -46.62 -56.09 6.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.007 -0.433 . . . . 4.44 110.459 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.34 -40.25 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.173 0.442 . . . . 3.11 111.738 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -58.69 -53.27 60.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.091 0.956 . . . . 0.58 108.784 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -58.37 -49.23 77.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.42 -0.355 . . . . 1.82 110.57 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.409 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 53.3 tt0 -55.73 -37.05 67.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.028 0.931 . . . . 4.84 110.778 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -69.61 -42.76 73.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.782 0.833 . . . . 3.48 109.984 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -53.21 50.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.864 0.866 . . . . 6.46 109.638 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.409 ' CD ' ' HA ' ' A' ' 50' ' ' GLN . 7.1 ptm85 -71.75 2.78 4.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 115.385 1.624 . . . . 4.6 115.385 -166.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 ptm -141.79 31.41 1.63 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.645 0.657 . . . . 6.35 109.653 167.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -4.18 5.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 122.041 -0.412 . . . . 6.11 112.103 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 m 60.91 31.85 19.99 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.396 1.078 . . . . 8.13 111.04 166.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -146.69 -46.36 0.19 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 105.343 -2.095 . . . . 7.59 105.343 159.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -83.27 39.22 0.64 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.494 -0.754 . . . . 8.61 110.736 174.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -161.42 -82.36 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.27 1.028 . . . . 10.24 109.994 -170.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.67 173.32 6.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 106.01 -1.848 . . . . 12.96 106.01 159.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -156.05 116.04 3.65 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 107.749 -1.204 . . . . 10.37 107.749 170.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.9 tp -100.62 3.21 42.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.576 0.75 . . . . 15.04 110.992 166.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 33.12 64.09 0.3 Allowed 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 129.946 3.298 . . . . 13.8 109.574 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -63.84 126.94 29.26 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.012 -1.449 . . . . 16.18 110.717 -158.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 t 67.36 68.32 0.55 Allowed Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 124.658 1.183 . . . . 19.35 110.495 -173.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -78.98 -170.37 0.99 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.939 2.426 . . . . 20.68 109.157 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.1 160.86 14.51 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 106.169 -1.789 . . . . 24.58 106.169 165.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 . . . . . 0 C--N 1.324 -0.505 0 C-N-CA 126.054 1.742 . . . . 29.19 110.35 -178.371 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 108.675 -0.861 . . . . 30.04 108.675 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -89.28 51.7 2.19 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.603 0.715 . . . . 23.26 110.437 -165.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p -73.5 53.46 0.42 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.802 1.241 . . . . 21.31 110.851 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -139.38 71.62 1.38 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 125.006 1.322 . . . . 22.38 107.5 -171.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 163.25 4.65 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.558 -0.746 . . . . 18.15 111.725 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.0 p 47.35 93.65 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 126.884 2.074 . . . . 11.66 112.561 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 -145.13 0.09 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.391 -0.596 . . . . 12.66 109.391 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -79.95 164.31 23.6 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.566 -0.709 . . . . 7.78 112.117 -173.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 p -86.65 -174.5 5.01 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.955 2.102 . . . . 3.62 111.731 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -137.92 165.67 25.95 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.174 1.79 . . . . 4.0 110.072 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.45 163.75 31.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.745 2.418 . . . . 1.93 105.791 170.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -54.29 -51.34 64.91 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.271 -0.64 . . . . 5.3 109.271 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.27 -54.34 21.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.994 0.918 . . . . 1.87 110.172 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -56.66 15.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.503 0.321 . . . . 2.59 110.974 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -53.79 -41.94 67.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.538 -0.744 . . . . 1.92 111.106 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -50.11 74.93 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.516 1.053 . . . . 1.65 109.518 177.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -57.69 -45.16 86.04 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.235 0.47 . . . . 3.11 110.002 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.88 -42.0 99.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.076 0.95 . . . . 2.26 112.538 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.25 -54.12 47.49 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.1 -1.0 . . . . 3.72 109.904 170.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -56.12 -39.14 71.75 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 122.2 -0.313 . . . . 5.63 111.305 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -53.95 -35.64 61.96 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.145 1.378 . . . . 4.19 111.077 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -63.68 -25.8 68.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 122.55 0.34 . . . . 1.68 110.688 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -84.17 -21.1 31.42 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.302 1.041 . . . . 3.87 111.22 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.85 -38.47 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.417 -0.957 . . . . 3.22 108.417 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 p30 173.7 174.55 0.15 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.964 2.506 . . . . 2.49 106.803 161.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -72.26 -14.46 61.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.277 0.843 . . . . 5.99 113.277 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -175.68 109.04 0.1 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 107.539 -1.282 . . . . 5.55 107.539 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.271 0.0 OUTLIER -73.33 146.1 10.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 119.101 -1.039 . . . . 3.05 113.718 -168.388 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -56.36 143.87 32.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 112.867 -1.969 . . . . 2.6 109.289 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -61.34 -34.18 74.85 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.044 -0.662 . . . . 5.36 111.541 -169.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.97 -48.75 80.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.511 0.596 . . . . 5.79 109.808 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -36.38 74.8 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 122.773 1.273 . . . . 2.99 109.097 -174.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -72.2 -35.39 68.91 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.085 -0.961 . . . . 3.14 110.212 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.07 -44.76 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.466 0.575 . . . . 2.23 109.851 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -63.5 1.13 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.49 -0.559 . . . . 1.81 109.49 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 122.972 0.509 . . . . 1.99 110.548 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.58 -39.32 23.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.301 0.955 . . . . 1.74 110.447 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -65.72 -58.88 4.64 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.838 0.29 . . . . 1.6 110.333 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.01 47.01 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.754 0.787 . . . . 1.76 112.442 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -19.82 65.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.961 2.104 . . . . 1.99 108.326 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m 74.4 39.43 0.47 Allowed 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 127.128 2.171 . . . . 3.25 110.843 171.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tp -120.28 -160.93 0.85 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.317 1.847 . . . . 2.71 109.3 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.06 138.48 49.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.701 1.137 . . . . 1.85 112.075 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -49.55 -45.92 48.17 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.681 1.992 . . . . 3.11 112.31 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -56.07 -50.48 70.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.439 1.495 . . . . 6.32 110.528 170.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -43.24 90.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.104 0.562 . . . . 5.04 109.505 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.56 -48.63 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.706 -0.479 . . . . 2.05 109.706 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -48.0 -53.11 17.26 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.254 0.479 . . . . 4.12 110.442 175.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.36 -56.81 11.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 CA-C-O 118.755 -0.64 . . . . 2.88 109.588 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -52.2 -46.48 65.63 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.294 0.497 . . . . 0.85 110.194 -170.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -62.8 -47.53 83.03 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.529 0.332 . . . . 1.88 111.542 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -56.08 -45.63 79.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 3.81 110.6 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -60.7 3.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.394 1.878 . . . . 4.21 109.497 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -49.49 -41.91 41.99 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.361 1.464 . . . . 5.28 111.072 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -33.66 -45.74 0.18 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.8 1.24 . . . . 4.58 114.346 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.4 ttp -163.55 94.37 0.78 Allowed 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.837 -1.172 . . . . 5.92 107.837 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.17 -106.88 0.28 Allowed 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.974 -1.012 . . . . 9.18 112.047 170.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.0 p -103.42 17.17 24.68 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 120.814 1.643 . . . . 7.69 113.1 -163.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -118.86 -51.4 2.36 Favored 'General case' 0 N--CA 1.434 -1.254 0 C-N-CA 127.35 2.26 . . . . 9.49 106.047 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.82 50.42 1.53 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 108.552 -0.907 . . . . 10.9 108.552 169.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.06 -71.82 0.33 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.788 2.035 . . . . 10.35 106.076 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 60' ' ' ARG 0.527 8.0 mmp_? 5.3 60.37 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 118.234 2.679 . . . . 12.24 118.234 -158.578 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.9 t -105.6 -177.17 3.29 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 106.775 -1.565 . . . . 14.68 106.775 158.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.26 30.45 0.24 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.017 1.327 . . . . 19.91 109.409 -176.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -82.59 52.64 2.13 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.885 1.674 . . . . 21.37 109.705 -175.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -63.87 101.91 0.42 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.399 0.679 . . . . 24.45 109.644 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.262 21.3 t -157.57 -71.84 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 113.612 0.967 . . . . 27.98 113.612 -168.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.85 -165.49 0.26 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 124.034 3.156 . . . . 28.53 110.76 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -69.34 -25.69 64.32 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.466 -0.771 . . . . 31.69 112.401 171.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.1 m80 . . . . . 0 N--CA 1.446 -0.639 0 C-N-CA 128.875 2.87 . . . . 30.1 111.735 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 107.258 -1.386 . . . . 20.33 107.258 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -74.16 69.96 1.56 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.483 -0.932 . . . . 16.97 108.483 173.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.1 m 41.26 -126.63 0.53 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.073 1.349 . . . . 18.02 108.933 -164.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.1 25.43 11.14 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 109.865 -0.42 . . . . 17.76 109.865 158.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.7 tpp85 -67.52 -45.91 74.38 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.454 -1.313 . . . . 20.78 107.454 164.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 p 44.65 93.21 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.69 1.996 . . . . 11.83 112.039 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -110.94 65.46 0.62 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.761 1.224 . . . . 15.99 109.753 -159.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.49 -176.24 4.34 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 123.97 0.908 . . . . 6.56 109.024 167.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p 65.03 174.69 0.21 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.492 1.917 . . . . 3.84 113.6 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -151.62 148.9 28.53 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.392 1.877 . . . . 3.02 106.458 -172.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.77 162.82 27.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.888 0.375 . . . . 2.24 110.051 158.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -55.88 -44.38 78.11 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.622 -0.51 . . . . 6.09 109.622 171.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.71 -52.02 66.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.616 0.573 . . . . 2.65 110.234 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -54.3 -46.43 72.78 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.746 -0.464 . . . . 2.12 109.746 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -57.46 -53.2 60.86 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.369 -0.824 . . . . 1.7 110.952 174.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -48.69 68.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.813 1.188 . . . . 1.86 110.528 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -58.09 -50.25 74.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.391 0.676 . . . . 2.6 109.75 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.36 -37.95 76.25 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.689 0.796 . . . . 2.29 112.35 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -56.8 12.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.021 -1.844 . . . . 2.87 106.021 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.16 73.36 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 119.868 -0.733 . . . . 5.18 111.961 173.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -54.75 -34.08 62.07 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 121.067 -1.021 . . . . 3.46 111.538 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.83 -39.23 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.898 -1.047 . . . . 1.75 108.931 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -81.68 -20.43 39.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.898 0.479 . . . . 7.19 111.275 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -51.26 64.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.695 -1.224 . . . . 3.35 107.695 168.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -147.71 119.35 8.01 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.848 0.859 . . . . 2.6 109.007 -173.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -53.94 -34.5 59.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.446 0.298 . . . . 6.36 111.064 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -141.25 129.62 22.42 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 105.696 -1.964 . . . . 3.37 105.696 158.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.408 ' CD1' ' HG3' ' A' ' 30' ' ' ARG . 0.1 OUTLIER -90.18 138.05 20.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 C-N-CA 124.336 1.054 . . . . 3.49 109.032 -165.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -54.09 144.56 19.19 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.015 -0.735 . . . . 1.69 109.015 -172.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -56.38 -35.85 68.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.369 0.986 . . . . 4.73 111.329 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -58.26 -54.45 46.8 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.934 0.788 . . . . 7.89 110.203 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HG3' ' CD1' ' A' ' 26' ' ' ILE . 31.2 tpt180 -58.26 -39.72 79.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.991 0.424 . . . . 2.43 110.255 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.402 HH12 ' CD ' ' A' ' 42' ' ' GLU . 1.7 ttp85 -74.14 -36.6 64.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.975 -1.078 . . . . 3.57 111.961 -175.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.8 -52.12 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.416 -0.587 . . . . 2.21 109.416 165.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -63.23 1.21 Allowed 'General case' 0 N--CA 1.46 0.056 0 N-CA-C 107.959 -1.126 . . . . 1.93 107.959 -176.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -52.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.195 0 C-N-CA 124.242 1.017 . . . . 1.94 110.263 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -45.59 39.04 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 119.357 0.981 . . . . 1.79 109.988 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.4 -60.14 2.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 123.88 0.738 . . . . 1.96 110.698 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.32 79.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.25 0.548 . . . . 1.73 111.896 -173.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.29 -24.17 32.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.169 1.788 . . . . 2.31 109.582 -170.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 84.67 56.13 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.663 1.585 . . . . 2.68 111.436 170.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.89 -164.79 1.63 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.416 -1.327 . . . . 2.55 107.416 165.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -126.92 149.0 50.02 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.849 1.659 . . . . 1.26 110.424 172.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.402 ' CD ' HH12 ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.11 -25.97 67.34 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.275 0.472 . . . . 3.28 112.275 -169.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -70.16 -50.52 39.51 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.981 1.712 . . . . 5.62 110.437 172.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -62.44 -40.05 95.31 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.751 -0.833 . . . . 3.75 108.751 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mt -56.66 -54.17 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.461 1.904 . . . . 1.65 110.654 168.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.94 -47.84 70.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.22 -0.925 . . . . 5.59 110.557 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mt -54.52 -57.04 7.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 N-CA-C 109.041 -0.726 . . . . 2.97 109.041 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -48.15 -46.89 34.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.42 0.554 . . . . 0.82 110.427 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.33 -48.67 78.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.439 1.496 . . . . 2.05 112.217 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -53.81 -51.54 63.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.592 1.157 . . . . 4.68 109.513 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -61.66 2.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.338 1.855 . . . . 4.39 109.496 176.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -43.81 -54.14 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.896 1.679 . . . . 6.2 111.71 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -63.56 -5.93 4.54 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 115.044 1.498 . . . . 4.57 115.044 -176.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -125.7 4.4 7.47 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.344 0.975 . . . . 7.95 112.576 169.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -82.7 -66.17 0.92 Allowed 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.194 0.907 . . . . 6.43 110.667 -165.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -83.44 42.04 0.81 Allowed 'General case' 0 C--O 1.206 -1.22 0 N-CA-C 107.654 -1.239 . . . . 7.4 107.654 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.334 5.2 mtmp? 44.11 12.33 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 115.397 1.629 . . . . 8.98 115.397 -159.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.59 41.75 17.94 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.227 -1.027 . . . . 8.36 108.227 -162.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -175.01 -67.14 0.01 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.459 0.704 . . . . 8.95 110.576 -159.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' SER . 67.9 ttt180 -70.88 74.66 0.62 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.754 0.788 . . . . 13.56 109.66 173.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.6 m -80.3 58.81 3.2 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.095 1.758 . . . . 13.85 109.908 -170.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 tp -78.25 3.2 16.0 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.275 0.843 . . . . 16.29 113.275 -168.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -103.94 13.39 32.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.877 1.271 . . . . 19.91 110.765 168.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 t 49.74 -149.42 0.24 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.518 -0.739 . . . . 19.96 109.955 -172.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -145.53 102.03 4.31 Favored Pre-proline 0 N--CA 1.453 -0.302 0 N-CA-C 106.32 -1.733 . . . . 23.28 106.32 159.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.48 71.55 4.57 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.588 2.192 . . . . 26.24 108.05 177.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -109.52 51.44 0.75 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.156 1.782 . . . . 27.76 108.673 -165.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 . . . . . 0 N--CA 1.447 -0.592 0 C-N-CA 128.417 2.687 . . . . 30.66 105.513 -166.326 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 122.53 1.157 . . . . 20.19 108.403 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.78 58.48 3.83 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.917 2.487 . . . . 17.71 110.105 -158.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.0 p -102.31 129.44 48.74 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.993 2.117 . . . . 15.18 107.646 -169.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -69.54 -47.89 62.21 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 122.052 -0.405 . . . . 18.38 109.934 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -121.49 164.2 17.56 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.736 1.614 . . . . 21.91 108.184 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.7 p 56.44 93.95 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.623 1.969 . . . . 12.37 111.416 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -43.24 10.32 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.92 0.888 . . . . 14.22 111.947 -161.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -102.29 156.03 17.84 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.701 -1.592 . . . . 7.2 106.701 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -78.7 152.36 31.64 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.098 0.959 . . . . 3.35 108.428 172.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.29 134.03 55.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.694 -1.595 . . . . 2.53 106.694 167.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.22 166.83 21.03 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 110.242 -0.281 . . . . 1.63 110.242 162.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.44 HH11 ' C ' ' A' ' 68' ' ' HIS . 23.3 ttt85 -64.26 -45.26 88.91 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 119.017 -1.073 . . . . 6.1 109.804 171.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -55.04 6.63 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.61 1.096 . . . . 3.72 110.077 173.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.34 -57.08 12.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.611 -0.514 . . . . 2.0 109.611 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 m -53.72 -39.41 65.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.534 0.734 . . . . 1.75 111.473 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -49.12 71.89 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.097 -1.446 . . . . 2.16 107.097 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.76 -50.48 70.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.693 -0.484 . . . . 2.69 109.693 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.97 -39.05 71.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.955 0.902 . . . . 2.97 112.434 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -52.96 60.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.933 1.293 . . . . 2.59 109.435 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -61.5 -32.75 72.78 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.343 -0.848 . . . . 3.87 111.281 173.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -37.47 83.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.778 -1.201 . . . . 3.24 110.3 172.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -63.71 -15.04 57.45 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.816 -1.177 . . . . 1.77 112.028 173.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -94.8 -17.38 22.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.05 1.34 . . . . 3.35 111.174 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -46.22 74.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.3 -1.741 . . . . 3.16 106.3 172.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -173.56 -176.37 1.27 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.768 2.027 . . . . 3.16 106.298 -172.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -139.55 34.06 2.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.785 0.834 . . . . 9.21 110.424 167.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -175.79 88.47 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.737 3.215 . . . . 4.17 105.611 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.56 150.12 8.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 124.039 0.936 . . . . 3.75 110.804 -170.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -64.33 147.46 52.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.556 -0.535 . . . . 2.45 109.556 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -61.93 -37.54 85.06 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 119.609 -0.836 . . . . 4.96 110.503 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -48.98 66.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.041 0.536 . . . . 5.41 109.631 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.66 -37.34 70.8 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 122.163 -0.335 . . . . 2.27 111.146 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -71.6 -40.16 70.02 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.176 -0.952 . . . . 3.87 111.547 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.61 -47.3 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.807 0.73 . . . . 2.23 109.666 173.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -63.43 1.15 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.602 1.561 . . . . 2.11 109.088 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -46.83 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 116.034 -0.53 . . . . 2.38 110.148 -178.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.79 38.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.574 0.75 . . . . 1.71 109.558 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -67.09 -58.64 4.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 124.171 0.919 . . . . 1.49 110.011 -176.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.94 84.13 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.427 0.632 . . . . 1.54 112.253 -175.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.49 -40.33 80.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.808 2.043 . . . . 2.02 109.002 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 92.85 42.99 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.074 2.55 . . . . 2.36 111.04 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tp -136.1 144.69 45.26 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.214 -0.928 . . . . 2.21 108.573 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.42 144.51 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.709 0.803 . . . . 2.01 111.589 -168.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -48.55 -49.05 38.04 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.68 0.673 . . . . 3.07 111.807 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -43.0 68.48 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.208 0.603 . . . . 6.55 109.777 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -54.03 40.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.845 0.858 . . . . 5.03 108.696 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -54.27 -43.95 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.393 1.077 . . . . 2.4 109.573 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -57.88 -53.94 52.52 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.719 -0.613 . . . . 3.97 110.469 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.43 -43.99 95.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 117.829 0.286 . . . . 3.21 110.637 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.04 -48.29 78.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.55 1.14 . . . . 0.77 109.031 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -64.01 -49.47 72.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 122.096 -0.378 . . . . 2.31 110.609 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.22 -43.44 52.78 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.758 -0.46 . . . . 4.12 109.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.45 -59.62 3.81 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.552 -1.277 . . . . 3.09 107.552 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -50.64 -37.52 41.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 127.182 2.193 . . . . 5.2 112.909 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -51.93 -31.27 28.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.926 0.891 . . . . 5.37 111.014 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -155.34 57.19 0.64 Allowed 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 122.757 0.423 . . . . 5.77 110.666 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -70.07 -9.19 54.59 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.501 0.926 . . . . 6.63 113.501 -172.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m 52.85 49.07 21.06 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.656 -0.868 . . . . 5.9 108.656 -162.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 tppm? -163.35 -45.54 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.039 1.336 . . . . 8.75 110.724 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -105.58 33.55 3.68 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.49 2.316 . . . . 11.14 115.077 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -165.79 -51.68 0.03 OUTLIER 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.412 1.885 . . . . 6.74 108.67 -163.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 mtm-85 -132.08 150.35 52.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.401 1.88 . . . . 10.04 107.712 173.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.265 13.7 t 51.09 -167.53 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.504 1.921 . . . . 10.81 113.032 -177.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.3 27.43 0.06 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.157 0.983 . . . . 16.23 110.982 -168.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -76.65 53.2 0.87 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.495 1.918 . . . . 16.9 110.168 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.9 m -79.47 56.61 2.2 Favored 'General case' 0 C--N 1.334 -0.079 0 N-CA-C 115.309 1.596 . . . . 19.57 115.309 -162.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.254 19.5 m -77.09 -54.29 1.57 Allowed Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 111.993 0.368 . . . . 22.93 111.993 158.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -83.18 54.37 4.69 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.976 3.118 . . . . 23.05 109.694 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -176.12 5.85 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.848 -1.908 . . . . 25.14 105.848 161.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.44 ' C ' HH11 ' A' ' 10' ' ' ARG . 5.1 m-70 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 107.593 -1.262 . . . . 27.84 107.593 174.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 107.189 -1.411 . . . . 26.78 107.189 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.5 52.97 1.8 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 113.358 0.873 . . . . 22.48 113.358 -158.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -16.65 60.92 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.865 1.666 . . . . 19.81 112.127 168.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -29.62 59.24 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.351 0.871 . . . . 25.32 113.351 -174.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -73.96 47.17 0.26 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.575 0.75 . . . . 20.9 111.519 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.7 p 43.88 93.51 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.159 2.184 . . . . 14.3 112.527 -172.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 82.8 0.99 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.338 -0.616 . . . . 13.21 109.338 175.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -66.66 169.31 7.98 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.353 -0.61 . . . . 6.87 109.353 161.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.6 p 59.52 124.34 0.01 OUTLIER 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 128.541 2.737 . . . . 2.98 112.912 -169.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.12 141.02 45.18 Favored 'General case' 0 CA--C 1.52 -0.203 0 O-C-N 121.404 -0.81 . . . . 2.98 109.512 -165.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.1 158.87 33.47 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.348 0.594 . . . . 1.95 110.847 167.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -56.36 -49.23 75.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.814 -0.809 . . . . 4.98 108.814 171.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -52.62 -49.86 64.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.92 0.488 . . . . 2.7 110.666 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -53.83 -56.08 20.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.748 -0.834 . . . . 1.66 108.748 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 m -55.63 -46.63 77.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.35 -0.841 . . . . 1.83 110.692 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -50.78 72.71 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.19 0.905 . . . . 1.83 109.772 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.54 -44.55 72.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.401 -0.592 . . . . 2.88 109.401 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.37 -45.67 83.17 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.574 1.15 . . . . 2.36 112.854 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.0 -50.28 36.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.603 1.561 . . . . 2.93 109.082 172.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -62.06 -49.24 76.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.647 1.579 . . . . 3.68 112.032 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -33.58 56.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.835 1.654 . . . . 3.13 109.596 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.48 -27.68 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.621 -1.299 . . . . 1.63 111.348 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -70.3 -25.4 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.652 -0.655 . . . . 3.65 110.896 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.31 80.55 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.513 -0.921 . . . . 2.62 108.513 173.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.19 146.2 3.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.917 0.487 . . . . 3.93 111.35 -170.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -76.52 -21.4 55.79 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.545 0.738 . . . . 5.45 112.318 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -145.49 142.49 29.28 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 105.505 -2.035 . . . . 3.49 105.505 164.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.04 147.52 5.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 113.526 0.936 . . . . 2.84 113.526 -175.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -70.22 148.78 48.2 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.344 1.457 . . . . 2.29 109.14 173.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.12 -46.5 68.79 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 120.923 1.692 . . . . 4.52 111.365 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -55.94 -46.64 78.45 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.692 0.397 . . . . 5.3 110.89 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -74.06 -33.91 63.85 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.92 0.39 . . . . 2.67 110.506 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 ttp-105 -68.54 -44.64 74.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 121.549 -0.72 . . . . 4.87 109.824 -172.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.7 -49.84 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.669 -0.493 . . . . 2.9 109.669 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.24 -62.93 1.34 Allowed 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 125.158 1.383 . . . . 2.21 107.804 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.5 mm -50.41 -62.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 124.526 1.13 . . . . 2.64 111.301 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.97 -37.39 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.44 0.696 . . . . 1.73 110.836 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -73.33 -65.77 0.77 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.689 0.618 . . . . 2.46 110.598 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.48 84.76 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.994 0.902 . . . . 1.94 110.659 -167.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.25 -4.35 59.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.406 2.282 . . . . 2.19 109.511 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m 44.44 62.15 2.13 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 126.363 1.865 . . . . 3.06 112.786 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 tp -124.63 -152.47 0.52 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 106.027 -1.842 . . . . 2.54 106.027 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -152.38 152.99 32.72 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 121.343 1.883 . . . . 1.44 112.032 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -49.85 -49.83 47.72 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 2.92 113.412 -170.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.14 -50.0 72.33 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.421 -0.585 . . . . 6.71 109.421 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -51.34 68.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.526 -0.916 . . . . 4.81 108.526 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.6 mt -53.77 -56.74 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 2.96 109.429 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -47.28 -53.72 12.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.605 0.639 . . . . 4.29 110.022 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.67 -38.39 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.1 -0.476 . . . . 3.54 111.522 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.49 -53.12 60.64 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.896 0.771 . . . . 0.68 109.87 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -59.77 -45.31 92.67 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 108.621 -0.881 . . . . 1.77 108.621 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.62 51.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.338 -0.245 . . . . 4.53 110.338 174.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -58.24 -46.25 86.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.561 1.144 . . . . 3.19 108.658 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -50.67 59.35 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.957 1.303 . . . . 4.8 110.772 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.56 1.19 20.3 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.362 0.875 . . . . 5.89 113.362 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.0 ttt -131.7 39.14 3.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.192 0.997 . . . . 6.73 109.441 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -92.46 18.99 7.68 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 122.012 -0.43 . . . . 5.98 111.387 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . 0.254 22.5 m 41.43 39.78 1.12 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 127.064 2.145 . . . . 6.3 113.297 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -150.04 -57.21 0.18 Allowed 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 127.753 2.421 . . . . 6.11 106.504 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -100.17 55.2 0.91 Allowed 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 107.035 -1.468 . . . . 8.33 107.035 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -163.72 -79.32 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.722 -0.844 . . . . 8.49 108.722 -158.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.8 ptt85 -73.31 154.66 40.04 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.916 -0.401 . . . . 10.37 109.916 -173.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 m 50.75 95.48 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.87 2.068 . . . . 12.14 112.169 175.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.12 164.54 0.85 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 114.056 1.132 . . . . 18.03 114.056 -166.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t0 52.58 37.81 24.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.904 2.082 . . . . 17.7 109.608 -162.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.4 t 50.29 37.76 15.94 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.349 1.46 . . . . 15.81 111.813 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -75.35 140.92 72.96 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 118.282 0.492 . . . . 17.79 110.444 -164.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.69 63.28 8.52 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.302 2.668 . . . . 17.86 111.876 -168.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -76.27 71.23 2.96 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.384 -0.599 . . . . 20.49 109.384 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 116.757 -1.592 . . . . 20.89 107.502 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 110.152 -0.314 . . . . 24.06 110.152 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.74 154.68 41.65 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.938 -0.393 . . . . 21.95 109.938 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.8 m -82.13 -150.33 0.09 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.32 2.248 . . . . 19.42 108.417 177.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 60.8 -64.33 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.642 1.977 . . . . 23.17 114.327 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -1.54 36.75 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.26 1.824 . . . . 24.19 110.782 168.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p 44.64 93.17 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 127.377 2.271 . . . . 14.98 112.379 165.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -118.96 160.65 21.58 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.663 0.785 . . . . 16.38 109.547 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.0 161.86 1.12 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.646 1.978 . . . . 8.56 114.385 -170.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.4 p -73.5 -173.81 1.52 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.364 1.865 . . . . 3.73 109.327 159.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 77.0 162.09 0.23 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 129.84 3.256 . . . . 3.1 108.274 -161.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.42 162.69 35.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.111 -2.181 . . . . 2.12 105.111 -172.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -58.42 -39.31 79.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 120.44 1.473 . . . . 6.8 109.926 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.77 -61.63 2.18 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.364 0.666 . . . . 3.08 109.744 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -48.82 70.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.843 0.83 . . . . 1.73 110.385 -173.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.5 m -65.41 -29.33 70.01 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 117.631 -1.176 . . . . 1.84 111.365 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.84 87.72 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.607 2.003 . . . . 2.0 108.24 172.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -52.23 61.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 106.535 -1.654 . . . . 2.96 106.535 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 HD11 ' CZ3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -61.72 -44.8 96.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.728 1.211 . . . . 3.88 112.098 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' CD ' HH21 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.4 -51.36 59.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.563 -1.336 . . . . 4.32 111.036 171.581 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -65.42 -34.13 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.134 -0.979 . . . . 4.8 111.478 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -53.78 -41.81 67.62 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.19 0.996 . . . . 4.57 110.312 169.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.74 -47.15 82.21 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.562 -0.711 . . . . 1.64 110.161 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.61 -27.84 68.06 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.523 -0.308 . . . . 3.22 111.437 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.96 -66.26 0.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.956 1.302 . . . . 3.49 108.908 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -157.64 131.23 7.89 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.864 -0.791 . . . . 3.23 108.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.73 -29.61 64.89 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.489 0.716 . . . . 5.48 111.981 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -130.74 120.52 23.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.222 -1.399 . . . . 3.25 107.222 170.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.15 151.18 3.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 108.552 -0.907 . . . . 2.47 108.552 174.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.12 149.64 49.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.007 -1.108 . . . . 2.06 108.007 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -61.17 -38.89 88.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 120.661 1.573 . . . . 5.09 110.967 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -54.57 -53.24 57.16 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.606 0.639 . . . . 5.81 109.938 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -67.18 -40.5 86.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.893 0.378 . . . . 2.71 110.549 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 ttm105 -65.25 -43.4 91.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.832 -0.803 . . . . 3.32 108.832 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.1 -47.97 89.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 118.7 0.682 . . . . 2.54 109.934 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.04 -63.66 1.07 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 108.35 -0.982 . . . . 1.96 108.35 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -57.25 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.49 -0.777 . . . . 2.3 110.056 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.97 -39.32 59.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.575 0.75 . . . . 1.77 110.935 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -68.04 -48.18 66.35 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.504 -0.554 . . . . 2.48 109.504 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.99 93.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.036 0.384 . . . . 1.79 112.036 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -30.79 32.54 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.758 1.223 . . . . 1.91 109.571 -170.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 t 84.99 54.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 128.092 2.557 . . . . 2.89 110.231 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -160.38 1.07 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 3.44 109.275 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -146.52 164.52 32.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.511 1.505 . . . . 1.72 112.332 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.92 -36.82 77.83 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 122.612 0.365 . . . . 3.72 110.463 169.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.89 -54.74 43.71 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.282 -0.636 . . . . 6.6 109.282 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.65 -57.74 10.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.263 -0.575 . . . . 4.73 110.319 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.7 mt -54.61 -45.49 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 110.053 -0.351 . . . . 2.18 110.053 -172.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -48.4 -58.5 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.172 -0.677 . . . . 4.38 109.172 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -44.64 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 122.961 0.504 . . . . 3.37 111.512 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.455 ' CZ3' HD11 ' A' ' 16' ' ' LEU . 33.7 t90 -57.9 -48.68 79.17 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 108.862 -0.792 . . . . 0.73 108.862 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.18 -36.26 81.41 Favored 'General case' 0 C--O 1.232 0.134 0 O-C-N 121.637 -0.665 . . . . 2.14 110.71 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.57 -54.92 30.53 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.584 -0.895 . . . . 4.11 108.584 171.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -59.6 -43.57 93.69 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.934 1.294 . . . . 3.34 109.128 -175.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.457 HH21 ' CD ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -77.52 -35.95 52.92 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.152 -0.927 . . . . 7.47 110.768 -170.392 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -70.6 -53.22 16.8 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 119.207 -0.997 . . . . 4.43 108.586 174.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 43.6 mtt -87.82 58.62 4.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.572 0.701 . . . . 6.56 109.111 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -2.42 23.2 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.336 -0.847 . . . . 8.04 112.777 -177.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.8 p 48.85 44.5 22.06 Favored 'General case' 0 CA--C 1.529 0.161 0 O-C-N 121.156 -0.965 . . . . 6.99 111.47 -172.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -155.42 -55.95 0.09 Allowed 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.298 -1.741 . . . . 6.39 106.298 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 44.56 1.21 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.216 -1.401 . . . . 7.82 107.216 174.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -168.09 -84.99 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.019 0.377 . . . . 8.38 112.019 -158.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.49 105.99 11.2 Favored 'General case' 0 CA--C 1.527 0.081 0 N-CA-C 108.933 -0.766 . . . . 14.44 108.933 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.263 12.6 t 52.59 -164.1 0.08 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.837 1.655 . . . . 11.03 111.795 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.6 tp -129.24 104.43 7.52 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.075 1.35 . . . . 13.37 108.734 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -89.98 18.37 5.85 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 126.526 1.93 . . . . 13.12 111.193 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m 49.72 -134.09 1.49 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.062 0.945 . . . . 15.16 110.183 -172.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 m -149.76 151.07 32.0 Favored Pre-proline 0 N--CA 1.456 -0.125 0 N-CA-C 106.752 -1.573 . . . . 17.65 106.752 168.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.78 163.98 37.15 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.154 1.903 . . . . 19.97 109.032 169.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -148.94 -133.76 0.06 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.393 1.477 . . . . 24.66 107.101 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 126.018 1.727 . . . . 27.71 106.83 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 107.658 -1.238 . . . . 25.76 107.658 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.34 76.96 0.38 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.921 0.888 . . . . 20.11 110.963 -175.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.3 t -48.25 143.92 4.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.89 1.276 . . . . 16.86 112.374 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -64.42 -25.0 67.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 118.752 -0.642 . . . . 18.67 111.218 171.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -130.18 169.02 15.91 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.324 1.05 . . . . 18.57 111.248 -172.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p 44.5 93.48 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 127.483 2.313 . . . . 11.08 113.609 169.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -116.85 61.94 0.73 Allowed 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.502 1.521 . . . . 15.75 109.009 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 55.81 172.58 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 127.769 2.428 . . . . 7.43 112.895 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -142.46 132.21 24.1 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.226 2.21 . . . . 3.4 106.969 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -79.06 178.01 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.352 1.061 . . . . 2.74 110.37 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.33 170.25 12.69 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.465 1.506 . . . . 1.65 109.765 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -57.81 -49.81 75.39 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 5.51 109.908 172.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.13 -53.68 54.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.95 -0.759 . . . . 2.09 108.95 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.95 -48.45 70.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.8 0.333 . . . . 2.21 110.33 -177.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.1 m -60.29 -42.07 94.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 118.747 -0.644 . . . . 1.78 110.64 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -53.19 59.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.182 0.901 . . . . 1.79 109.307 173.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.63 -40.74 72.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.041 0.448 . . . . 2.5 110.384 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.66 -40.98 65.92 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.871 0.868 . . . . 2.27 113.286 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -51.6 58.72 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.522 -1.361 . . . . 3.53 109.509 165.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -56.06 -35.51 67.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.56 1.144 . . . . 3.99 111.312 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -63.17 -41.23 99.2 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 124.435 1.094 . . . . 4.38 111.039 173.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -63.56 -40.33 96.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.138 -0.69 . . . . 1.64 109.138 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -37.12 79.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.737 0.415 . . . . 7.05 111.392 168.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.47 -39.08 93.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.998 0.919 . . . . 2.86 109.023 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 p30 173.04 166.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.166 2.186 . . . . 2.44 109.108 159.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -68.59 -15.97 63.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.759 1.022 . . . . 4.84 113.759 -170.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.73 104.5 0.25 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.036 0.935 . . . . 5.33 108.49 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.47 168.33 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 113.964 1.098 . . . . 2.56 113.964 -171.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -72.71 148.19 44.92 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.265 1.026 . . . . 2.25 108.535 164.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.94 -36.4 76.97 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 119.071 -1.052 . . . . 5.3 111.131 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -50.7 68.45 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.773 1.169 . . . . 4.55 110.302 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.48 69.47 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.857 0.837 . . . . 2.83 110.673 -176.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -81.83 -34.39 30.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.817 -0.552 . . . . 4.31 110.685 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.64 -49.99 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.874 0.869 . . . . 2.28 108.753 163.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.38 -63.1 1.26 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.701 1.2 . . . . 1.97 109.058 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -53.87 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-O 118.21 -0.9 . . . . 1.78 110.715 175.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.11 -35.83 12.14 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 120.114 1.325 . . . . 1.6 111.228 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -68.2 -64.98 0.75 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.144 -0.687 . . . . 1.8 109.144 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -32.1 67.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.52 0.933 . . . . 1.7 113.52 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 -5.09 52.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.095 2.158 . . . . 1.9 110.058 -175.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 p 51.86 53.85 11.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.362 1.465 . . . . 2.76 112.892 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 tp -132.02 -152.68 0.51 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.804 1.242 . . . . 2.35 109.512 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.7 p -150.77 161.45 42.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.197 1.362 . . . . 1.45 110.972 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.37 -33.55 76.1 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.472 -0.299 . . . . 4.15 111.523 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -56.29 -54.66 42.76 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.43 -0.952 . . . . 6.03 108.43 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -57.93 -53.88 53.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.727 0.811 . . . . 3.93 110.265 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.1 mt -59.65 -40.61 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.014 0.526 . . . . 1.69 110.011 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -51.79 66.48 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.373 -0.602 . . . . 4.66 109.373 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.18 -48.51 88.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.142 0.977 . . . . 2.83 110.045 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -55.42 -43.82 75.68 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.694 0.759 . . . . 0.69 110.069 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.45 -40.56 91.61 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 120.789 -1.194 . . . . 2.33 111.0 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.01 -45.74 90.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.078 0.861 . . . . 3.54 110.27 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -42.42 -47.95 5.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.587 1.555 . . . . 3.28 111.818 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -58.82 2.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.881 -1.054 . . . . 7.24 111.398 -164.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 24.59 42.14 0.0 OUTLIER 'General case' 0 C--N 1.341 0.233 0 C-N-CA 128.901 2.88 . . . . 4.34 117.401 175.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 37.0 mtm 44.96 68.62 0.53 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.986 0.914 . . . . 11.61 110.172 -170.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -54.95 11.54 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 129.726 3.21 . . . . 7.01 117.293 -168.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.2 p 54.2 13.63 0.63 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.768 2.427 . . . . 8.67 113.209 -167.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -163.37 39.48 0.1 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.159 2.184 . . . . 7.17 107.852 168.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -168.89 45.96 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 128.568 2.747 . . . . 10.75 107.268 158.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -121.69 -50.9 2.06 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 129.525 3.13 . . . . 9.77 107.977 -173.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -61.27 126.56 27.79 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.06 -1.089 . . . . 11.31 108.06 168.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -68.82 152.2 45.61 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.377 -0.601 . . . . 16.62 109.377 168.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.83 -179.43 7.28 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.961 -1.126 . . . . 18.64 107.961 160.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.7 t0 52.81 66.34 1.25 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.518 1.927 . . . . 22.46 108.973 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -75.74 67.28 2.16 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 113.967 -1.47 . . . . 21.52 112.928 -159.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 m 61.22 65.72 1.83 Allowed Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 124.659 1.183 . . . . 25.33 112.4 173.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -69.68 177.13 5.83 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.458 2.105 . . . . 27.85 110.493 171.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -138.78 160.08 40.55 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 105.433 -2.062 . . . . 33.04 105.433 170.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 . . . . . 0 CA--C 1.531 0.237 0 C-N-CA 124.505 1.122 . . . . 34.9 109.644 -177.425 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 108.496 -0.928 . . . . 22.68 108.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -33.34 169.74 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 130.128 3.371 . . . . 17.82 113.848 158.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 m 72.6 95.26 0.07 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.904 1.282 . . . . 16.37 113.965 164.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -68.54 -31.62 70.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.831 -0.622 . . . . 21.34 110.459 168.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -124.56 96.98 5.1 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.977 1.311 . . . . 21.22 111.072 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.2 p 43.6 93.4 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.348 1.859 . . . . 12.69 114.385 158.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -146.92 -26.96 0.4 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.616 0.766 . . . . 12.17 112.321 -173.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.77 142.72 54.85 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.576 -1.268 . . . . 6.64 107.576 160.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -74.06 172.04 12.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.627 0.771 . . . . 3.8 110.184 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.09 134.4 42.23 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.499 -1.667 . . . . 3.52 106.499 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 165.18 24.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.403 0.621 . . . . 1.83 111.776 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -57.74 -53.41 58.49 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.556 -0.905 . . . . 5.53 108.556 172.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.86 -54.72 17.72 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.81 0.844 . . . . 2.32 110.042 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.524 ' NE2' ' CD1' ' A' ' 40' ' ' LEU . 3.1 mt-30 -53.95 -52.41 60.72 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.252 0.549 . . . . 2.8 109.617 -175.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -56.43 -49.41 74.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.381 -0.819 . . . . 1.71 110.814 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.08 69.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.522 1.055 . . . . 1.69 110.314 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.38 -48.49 76.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.604 -0.887 . . . . 2.75 108.604 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.08 -42.31 98.27 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.595 -0.691 . . . . 2.63 112.61 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -45.2 69.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.006 1.322 . . . . 4.17 111.503 168.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -51.71 63.81 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.722 -0.844 . . . . 5.27 108.722 169.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.13 -33.97 67.91 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.288 0.635 . . . . 3.63 110.237 -171.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.22 -24.39 67.86 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.921 -0.487 . . . . 1.54 111.407 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -83.98 -21.02 31.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.313 0.645 . . . . 3.69 111.369 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -54.9 4.47 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.731 -1.581 . . . . 3.56 106.731 -175.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -137.66 135.88 36.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.976 1.31 . . . . 2.62 108.914 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.46 -39.05 62.77 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.63 -0.669 . . . . 5.7 110.506 175.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -128.45 123.77 34.53 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 104.357 -2.46 . . . . 3.09 104.357 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.65 149.11 10.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 120.825 1.648 . . . . 2.45 112.123 177.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -59.49 144.63 46.66 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.234 -1.348 . . . . 1.96 108.898 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -53.1 -42.74 66.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.273 0.942 . . . . 4.98 111.555 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.86 16.2 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.945 -0.761 . . . . 5.62 108.945 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -58.74 -35.05 72.1 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.356 -0.238 . . . . 4.41 110.356 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -73.22 -40.04 65.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.856 -0.592 . . . . 3.05 111.426 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.42 -45.74 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 119.048 0.84 . . . . 2.02 109.025 171.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -63.27 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.556 1.143 . . . . 2.22 108.288 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.81 -53.18 40.53 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 124.099 0.96 . . . . 2.46 110.394 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.0 -38.73 17.72 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.865 -1.147 . . . . 1.71 110.353 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -71.02 -70.72 0.29 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.596 0.236 . . . . 1.44 110.677 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.32 80.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.78 0.832 . . . . 1.84 113.017 -170.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.45 -4.12 59.12 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.699 2.4 . . . . 2.43 109.905 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 p 52.01 63.65 2.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.677 1.591 . . . . 3.28 113.814 173.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -139.75 -175.71 4.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.105 1.362 . . . . 3.0 109.505 171.048 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 100.0 p -110.53 161.54 15.6 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 119.308 0.958 . . . . 1.61 111.695 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.88 -43.53 98.65 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.411 -0.589 . . . . 3.65 109.411 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -47.08 -58.12 4.35 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 123.991 0.917 . . . . 7.99 110.244 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -58.96 -60.48 3.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.862 -0.792 . . . . 5.18 108.862 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.08 -46.58 88.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 120.769 0.319 . . . . 2.11 110.672 -169.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -53.41 -51.73 61.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.99 0.916 . . . . 4.28 109.29 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.22 -51.37 73.34 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 120.253 -0.579 . . . . 2.87 109.879 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -51.12 -53.3 35.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.151 -0.928 . . . . 0.88 109.844 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -58.76 -39.05 79.86 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.041 0.837 . . . . 1.83 111.295 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -47.3 86.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.353 -0.61 . . . . 4.16 109.353 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -53.98 47.74 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 125.987 1.715 . . . . 4.38 111.4 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.29 -23.93 62.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 126.279 1.832 . . . . 7.54 113.083 -171.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -50.38 -38.32 41.9 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.908 -0.495 . . . . 3.73 111.377 167.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 44.2 ttm -108.01 52.99 0.7 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.224 1.009 . . . . 5.97 109.294 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -65.61 17.48 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.924 1.29 . . . . 10.02 114.089 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.0 p 45.22 40.24 4.86 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.552 1.541 . . . . 5.89 112.347 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.13 -47.05 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.023 1.329 . . . . 8.11 107.685 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -94.17 33.5 1.36 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.571 0.701 . . . . 8.32 109.559 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -95.5 -70.14 0.72 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.53 1.932 . . . . 6.83 106.924 169.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 10.81 53.58 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 129.377 3.071 . . . . 9.45 115.0 -159.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.3 t 174.84 177.85 0.14 Allowed 'General case' 0 N--CA 1.449 -0.485 1 C-N-CA 131.911 4.084 . . . . 11.31 104.845 168.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 tt -158.83 132.44 7.47 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 105.144 -2.169 . . . . 15.28 105.144 172.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -80.05 68.74 6.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.43 -1.322 . . . . 20.06 107.43 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -79.14 54.88 1.72 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.445 -0.798 . . . . 21.31 109.937 -173.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.6 t -120.21 65.82 11.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 124.855 1.262 . . . . 25.09 110.514 -172.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.73 66.58 6.63 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.004 2.469 . . . . 28.32 110.44 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.31 64.41 2.69 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.427 -0.953 . . . . 31.06 108.427 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 124.962 1.305 . . . . 35.95 108.343 -173.855 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.67 -0.863 . . . . 2.43 108.67 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.08 169.94 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.257 1.823 . . . . 1.25 108.276 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -54.67 -50.29 68.58 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.274 -0.639 . . . . 5.23 109.274 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.91 -56.95 13.95 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.55 0.74 . . . . 2.11 109.785 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.87 -52.83 59.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.574 0.702 . . . . 1.48 109.671 -175.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 m -58.02 -39.04 77.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 118.092 -0.956 . . . . 0.59 110.663 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -50.04 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.519 1.509 . . . . 0.71 109.377 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.45 -45.0 89.44 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.423 0.63 . . . . 3.73 109.971 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.76 -47.98 78.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.562 0.745 . . . . 1.54 111.372 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.05 -48.97 78.48 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 3.71 111.417 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -7.62 49.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.419 0.896 . . . . 3.97 113.419 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -87.39 -39.92 14.86 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 122.195 0.998 . . . . 3.98 109.3 163.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.18 -44.3 95.79 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.756 -0.59 . . . . 1.27 110.394 -172.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -17.38 64.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.93 -0.708 . . . . 4.49 112.111 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -54.82 5.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.708 -1.219 . . . . 3.38 107.708 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -144.18 88.16 1.94 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.583 1.553 . . . . 2.56 109.251 -168.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -55.96 -24.13 36.5 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.598 -0.689 . . . . 5.3 111.396 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.19 109.8 15.85 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.457 1.903 . . . . 2.45 106.021 160.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -73.74 156.5 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.444 0.64 . . . . 1.88 109.421 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.13 147.2 53.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.069 -1.456 . . . . 1.04 107.069 167.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -61.11 -38.63 86.99 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 118.355 -1.338 . . . . 3.73 110.222 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -52.46 -55.45 21.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.967 0.349 . . . . 6.15 110.329 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -64.65 -41.53 96.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.399 -0.52 . . . . 1.96 110.039 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HG3' HD12 ' A' ' 26' ' ' ILE . 2.2 ttp-105 -62.49 -41.03 98.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.735 -0.603 . . . . 4.89 109.807 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.89 -49.17 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 118.544 0.611 . . . . 0.97 109.777 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -53.47 -63.56 1.11 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.961 0.905 . . . . 1.91 109.102 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -49.26 -53.33 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 123.636 0.774 . . . . 1.09 109.941 174.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.88 -27.31 51.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.972 -1.08 . . . . 0.98 112.23 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -80.89 -62.24 1.73 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.722 0.809 . . . . 1.38 109.994 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.81 58.44 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.987 0.915 . . . . 0.62 111.951 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -43.39 95.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.821 -1.548 . . . . 1.18 106.821 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m 74.58 72.95 0.11 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.683 2.393 . . . . 2.49 111.545 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.451 HD11 ' HG3' ' A' ' 44' ' ' GLN . 30.9 tp -152.72 139.55 19.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 106.01 -1.848 . . . . 1.89 106.01 166.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 154.63 41.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.465 0.913 . . . . 0.97 113.465 -159.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.64 -44.04 37.05 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.605 1.162 . . . . 3.37 110.783 172.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -50.06 73.94 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.831 1.252 . . . . 7.94 108.684 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.451 ' HG3' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -62.23 -54.18 44.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.824 -1.176 . . . . 3.42 107.824 -173.01 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mt -61.48 -39.37 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 118.586 -0.721 . . . . 0.88 110.447 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -51.53 -58.61 5.81 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 118.855 -1.138 . . . . 3.19 109.43 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.56 -42.62 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 118.461 0.573 . . . . 2.03 112.219 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.83 -52.37 66.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.454 1.101 . . . . 0.65 108.719 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.81 -39.41 90.86 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.664 -0.648 . . . . 1.59 110.643 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.93 -43.61 98.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.156 0.982 . . . . 4.36 110.005 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -52.98 61.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.727 1.211 . . . . 2.71 108.808 177.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' A' ' 52' ' ' ARG . 3.0 tpt180 -47.63 -45.03 27.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.098 1.359 . . . . 4.23 112.117 -165.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 . . . . . 0 CA--C 1.531 0.242 0 C-N-CA 125.698 1.599 . . . . 2.98 112.678 172.219 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.441 -0.882 0 N-CA-C 112.838 0.681 . . . . 2.64 112.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.6 164.59 15.3 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.572 -173.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.71 -48.66 78.28 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.492 -0.929 . . . . 5.09 108.492 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -47.57 -54.23 12.35 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.767 0.827 . . . . 1.88 109.932 170.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.58 -53.26 54.25 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 123.3 0.64 . . . . 1.43 110.36 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -58.15 -45.34 87.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 118.119 -0.943 . . . . 0.59 110.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -50.55 70.67 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.744 1.156 . . . . 0.63 109.856 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.12 -52.49 63.1 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.653 0.781 . . . . 3.67 109.404 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.88 -38.27 78.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.632 1.573 . . . . 1.27 112.71 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.72 -49.94 54.73 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.707 -1.96 . . . . 2.88 105.707 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -54.77 -48.64 72.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.629 0.772 . . . . 4.85 109.948 172.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -39.43 72.38 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.445 -0.576 . . . . 3.53 109.445 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -63.68 -39.84 95.33 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.112 -1.618 . . . . 1.32 110.67 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.44 -33.25 71.04 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.036 -0.415 . . . . 3.06 110.473 171.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -52.37 59.69 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 2.27 110.54 172.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -143.52 121.49 12.06 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.883 1.273 . . . . 2.12 109.616 -162.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -63.74 -28.96 70.24 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.869 -1.144 . . . . 4.98 111.375 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -143.26 123.77 13.99 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.418 -1.697 . . . . 2.34 106.418 167.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.4 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -68.69 152.07 9.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.106 0.479 . . . . 1.72 110.404 -178.842 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.77 144.38 56.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.361 -1.348 . . . . 1.03 107.361 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -54.88 -41.66 71.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.898 1.226 . . . . 4.22 110.673 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -63.21 -50.69 69.27 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.827 0.74 . . . . 7.72 110.998 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -57.58 -42.13 82.52 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 121.366 0.603 . . . . 1.87 109.713 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.4 ' HG3' HD12 ' A' ' 26' ' ' ILE . 14.8 ttm180 -65.28 -39.97 93.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 121.568 -0.707 . . . . 2.62 110.043 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.65 -49.72 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 123.288 0.635 . . . . 1.03 109.84 171.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -63.09 1.26 Allowed 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.218 -1.03 . . . . 2.03 108.218 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -50.23 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 C-N-CA 124.403 1.081 . . . . 0.79 110.358 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.6 -47.63 39.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 120.97 -1.081 . . . . 0.49 109.569 175.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -63.73 -58.27 7.4 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.184 -0.462 . . . . 1.35 110.739 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.24 -53.5 10.72 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.836 0.827 . . . . 0.83 112.08 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -22.96 67.13 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.463 1.905 . . . . 0.74 108.943 -175.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.2 m 80.81 57.67 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.524 1.93 . . . . 1.86 110.765 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tp -139.57 -177.65 5.04 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.139 1.775 . . . . 1.59 107.49 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.2 p -110.98 158.33 18.9 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 121.17 1.804 . . . . 1.15 111.537 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -52.13 61.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.108 -1.071 . . . . 3.4 108.108 175.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -49.03 -61.88 1.83 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.116 1.366 . . . . 5.56 111.503 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.23 -47.49 83.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.52 -0.548 . . . . 3.55 109.52 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.24 -46.57 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 119.189 -0.434 . . . . 0.73 109.89 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -53.4 42.18 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.579 1.081 . . . . 3.26 109.46 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.6 -41.97 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.685 0.394 . . . . 1.73 111.098 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -61.13 -48.62 80.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.978 0.511 . . . . 0.7 110.153 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.73 -28.53 67.72 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.286 -0.884 . . . . 1.21 110.765 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.28 -44.29 96.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.836 -0.54 . . . . 3.59 110.366 168.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.28 -45.59 46.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.253 1.021 . . . . 2.56 110.047 -171.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -59.82 3.25 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.012 2.125 . . . . 5.17 111.005 -173.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 CA--C 1.535 0.373 0 C-N-CA 126.614 1.966 . . . . 4.26 116.003 172.869 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 106.112 -1.811 . . . . 2.11 106.112 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.42 163.37 30.63 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.635 1.174 . . . . 1.31 108.967 172.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -56.68 -54.96 40.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.748 -0.834 . . . . 5.69 108.748 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -49.88 -55.7 13.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.138 0.575 . . . . 1.52 110.106 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG2' ' CD2' ' A' ' 38' ' ' LEU . 20.8 mt-30 -56.97 -52.28 65.87 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 110.059 -0.349 . . . . 2.45 110.059 -173.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -51.05 -50.23 59.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.391 0.677 . . . . 0.74 111.627 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -49.81 75.96 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.813 0.733 . . . . 0.85 109.245 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -35.53 79.06 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 121.852 -0.53 . . . . 2.51 110.037 -175.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.76 -36.83 84.35 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.254 0.621 . . . . 1.41 111.745 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -50.49 73.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.099 0.559 . . . . 2.53 110.139 171.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -44.9 70.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.784 -0.45 . . . . 3.91 109.784 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.16 -40.0 92.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.255 -0.278 . . . . 3.7 110.915 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.155 -0.966 . . . . 1.27 109.728 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.29 -17.63 64.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.93 -0.557 . . . . 5.96 112.448 173.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.53 -54.42 5.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.367 0.985 . . . . 2.83 108.527 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -138.97 119.3 13.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.28 1.432 . . . . 2.13 110.182 -164.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -60.31 -34.21 73.46 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.573 -0.704 . . . . 5.48 110.758 171.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -142.77 119.57 11.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.183 2.193 . . . . 3.18 106.154 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.504 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -65.4 162.92 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 118.42 0.554 . . . . 1.41 111.926 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -63.49 146.83 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.464 -1.31 . . . . 0.98 107.464 166.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -58.8 -43.88 90.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.012 0.824 . . . . 6.21 110.619 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -57.5 -51.68 68.46 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.86 -0.422 . . . . 5.41 109.86 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.89 -41.34 97.78 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.02 -0.733 . . . . 1.71 109.02 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.504 ' HG3' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.31 -44.29 92.06 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 121.724 -0.61 . . . . 2.71 111.211 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.41 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 118.443 0.565 . . . . 1.14 109.823 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.47 -63.42 1.15 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.718 0.77 . . . . 2.31 109.393 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.559 HG12 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.59 -52.77 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 125.118 1.367 . . . . 0.93 110.114 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.65 -49.35 14.48 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.35 -0.844 . . . . 0.59 109.856 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.36 -55.7 19.38 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 123.421 0.45 . . . . 2.05 111.19 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.45 22.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 0.71 111.822 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD12 HG12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -67.93 -30.07 69.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.559 1.943 . . . . 1.45 108.824 -177.443 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 90.79 48.03 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.31 1.844 . . . . 1.55 111.849 163.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.18 -177.82 4.3 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.031 -1.47 . . . . 1.46 107.031 170.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.1 p -100.43 156.74 17.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.519 1.963 . . . . 1.14 110.728 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -53.52 -48.32 69.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.122 0.969 . . . . 3.41 108.996 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.4 mmt-85 -59.7 -54.12 50.08 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 125.291 1.437 . . . . 7.69 110.829 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -61.6 -38.89 89.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 121.798 -0.564 . . . . 2.89 110.554 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.5 mt -57.54 -50.78 76.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.402 0.681 . . . . 0.78 109.794 172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -51.72 -49.1 63.16 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.972 -0.455 . . . . 3.68 111.011 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 118.108 0.413 . . . . 1.74 111.203 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -56.2 -49.91 72.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.55 0.74 . . . . 0.62 109.488 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -61.62 -47.39 85.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.764 -0.458 . . . . 1.42 109.764 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -53.59 -38.76 64.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.434 0.161 . . . . 3.55 111.434 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -66.18 0.55 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.853 0.861 . . . . 2.22 109.177 168.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -51.19 -35.97 38.99 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.036 0.934 . . . . 4.37 113.358 -172.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 117.914 -1.041 . . . . 3.62 111.081 173.379 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.444 -0.576 . . . . 2.27 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 168.64 13.09 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.003 0.521 . . . . 1.09 109.964 170.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.85 -51.33 70.47 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.306 -0.628 . . . . 5.14 109.306 171.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.64 -57.03 9.2 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 108.81 -0.811 . . . . 1.74 108.81 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.464 HE22 HD13 ' A' ' 40' ' ' LEU . 3.9 tt0 -53.83 -55.16 29.15 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 122.841 0.456 . . . . 1.59 110.197 -175.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 83.5 m -54.61 -40.91 69.37 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.276 0.63 . . . . 0.72 110.927 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -50.74 72.94 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.1 0.864 . . . . 0.74 109.169 175.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.05 -40.81 95.05 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.421 -0.511 . . . . 2.61 110.791 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.4 -37.27 85.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.795 0.838 . . . . 1.86 111.98 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -51.55 68.77 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 2.71 109.576 171.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.39 -35.58 63.02 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.086 -1.009 . . . . 5.55 110.893 172.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.31 -39.66 94.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.293 1.437 . . . . 4.18 110.573 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -47.94 79.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 106.604 -1.628 . . . . 1.56 106.604 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.2 -33.98 69.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.618 0.367 . . . . 3.41 111.22 172.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -56.59 14.27 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.845 0.748 . . . . 2.52 109.426 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -152.81 136.35 15.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.165 -1.421 . . . . 2.68 107.165 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -55.66 -31.04 62.03 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.697 0.226 . . . . 4.88 111.585 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -144.6 117.6 8.84 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 106.48 -1.674 . . . . 3.4 106.48 163.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.499 HD13 HG21 ' A' ' 26' ' ' ILE 0.268 0.0 OUTLIER -64.21 149.94 10.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 114.682 1.364 . . . . 1.85 114.682 -178.216 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -56.63 143.79 34.63 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 113.462 -1.699 . . . . 1.14 109.28 167.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -59.57 -38.46 81.21 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.846 -0.742 . . . . 4.04 111.13 -170.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -47.96 83.98 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.876 -0.73 . . . . 3.9 109.63 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -31.56 70.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.526 0.679 . . . . 1.88 109.716 -176.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HG3' HD12 ' A' ' 26' ' ' ILE . 1.8 ttm105 -76.94 -36.81 56.28 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.918 -0.489 . . . . 2.34 111.041 -175.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mt -55.72 -51.84 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.139 -0.689 . . . . 0.96 109.139 165.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.55 -63.37 1.17 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.529 1.532 . . . . 2.28 109.845 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.3 -48.25 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 123.788 0.835 . . . . 1.16 110.387 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.09 56.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.805 1.184 . . . . 0.5 110.66 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -64.66 -51.43 62.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.616 0.246 . . . . 1.48 110.36 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -56.42 4.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.329 1.061 . . . . 0.64 112.019 -175.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.23 -20.61 66.16 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.606 2.762 . . . . 1.0 109.177 -176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 m 77.65 61.13 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.262 1.825 . . . . 2.06 110.453 166.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 HE22 ' A' ' 12' ' ' GLN . 4.2 tp -142.78 -148.18 0.23 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.194 1.398 . . . . 1.52 108.17 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -145.7 148.0 32.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 119.896 1.225 . . . . 1.04 110.264 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.86 -46.93 43.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.744 2.018 . . . . 3.35 112.46 -173.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -71.71 -45.37 62.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.776 0.831 . . . . 5.88 110.246 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.58 -40.27 82.68 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.695 -0.628 . . . . 2.94 110.864 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.6 mt -55.8 -47.14 79.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.121 0.569 . . . . 0.91 109.93 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -54.08 -48.64 70.44 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.781 -0.574 . . . . 4.42 109.988 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.03 -47.02 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 118.627 -0.701 . . . . 2.02 110.712 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.29 -50.39 67.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.673 1.124 . . . . 0.82 109.685 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.6 -50.11 68.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.452 0.701 . . . . 1.46 110.508 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -55.22 -45.42 75.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.847 1.259 . . . . 3.38 110.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -61.06 2.5 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.101 1.36 . . . . 2.58 110.103 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -56.36 -47.04 79.68 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.059 0.944 . . . . 4.78 110.819 -172.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 113.547 0.943 . . . . 4.47 113.547 179.376 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.433 -1.292 0 CA-C-O 121.235 0.54 . . . . 2.36 110.201 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 HE21 ' A' ' 12' ' ' GLN . 0.7 OUTLIER -148.08 165.77 29.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.77 1.628 . . . . 1.34 108.258 -178.637 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -56.03 -51.29 68.34 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.019 -0.734 . . . . 7.68 109.019 171.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -50.92 -54.43 24.19 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.21 0.604 . . . . 2.01 110.289 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.737 ' HG2' HD22 ' A' ' 38' ' ' LEU . 15.4 mt-30 -57.62 -52.06 66.95 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 109.567 -0.531 . . . . 1.74 109.567 -173.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 m -52.06 -48.23 64.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.571 -0.741 . . . . 1.11 110.237 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -47.41 80.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.465 -0.779 . . . . 1.35 110.654 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.82 -44.54 92.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.709 1.14 . . . . 3.14 109.828 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD22 ' CE3' ' A' ' 48' ' ' TRP . 2.7 mt -54.65 -46.15 73.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.919 0.39 . . . . 1.4 111.885 176.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -46.06 85.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.797 0.839 . . . . 2.42 110.801 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -53.94 -49.81 67.85 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.147 -0.971 . . . . 3.37 109.289 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.61 -38.99 79.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.67 1.188 . . . . 3.39 110.758 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.62 -43.11 97.82 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.795 -0.565 . . . . 1.05 110.883 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -62.35 -32.05 72.78 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.866 -0.522 . . . . 2.88 110.49 173.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -47.81 79.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.699 -0.852 . . . . 2.45 108.699 176.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -165.66 154.01 11.3 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 122.763 0.425 . . . . 3.2 110.645 -172.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -82.41 -19.42 39.07 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.863 0.465 . . . . 4.22 111.442 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -137.93 125.17 21.68 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.164 1.785 . . . . 2.67 106.568 172.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.521 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -81.1 155.04 4.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 118.619 0.645 . . . . 1.77 109.834 178.58 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.29 146.75 53.81 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 106.744 -1.576 . . . . 1.15 106.744 169.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -63.19 -35.98 82.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 117.97 -1.492 . . . . 3.81 110.837 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -55.74 16.63 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.049 -0.722 . . . . 4.9 109.049 174.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -65.68 -39.48 91.35 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.562 -0.455 . . . . 2.2 110.483 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.521 ' HG3' HD12 ' A' ' 26' ' ' ILE . 22.3 ttm105 -64.25 -44.35 92.06 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 120.483 -1.386 . . . . 2.81 110.534 -172.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.44 -47.16 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.759 -0.46 . . . . 0.94 109.759 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.52 -62.85 1.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.769 1.628 . . . . 1.73 109.316 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -64.84 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 C-N-CA 126.698 1.999 . . . . 1.7 107.725 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.77 -45.81 14.84 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 119.8 1.182 . . . . 0.66 110.991 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -64.75 -52.54 56.45 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.653 -1.158 . . . . 1.5 110.138 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.43 75.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.821 0.448 . . . . 0.85 111.999 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.737 HD22 ' HG2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -81.74 -27.5 33.82 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 106.749 -1.574 . . . . 1.46 106.749 -163.149 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 79.97 44.81 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.867 2.067 . . . . 2.15 109.021 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.7 tp -156.66 141.49 17.02 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 108.089 -1.078 . . . . 1.71 108.089 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -77.33 155.26 32.1 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.105 0.78 . . . . 1.11 113.105 -159.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -59.1 -39.98 83.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.069 -0.715 . . . . 3.17 109.069 172.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -51.85 -58.58 6.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.108 0.963 . . . . 5.37 110.117 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -54.31 -49.81 68.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.874 0.47 . . . . 3.4 110.69 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.45 -48.19 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.833 0.853 . . . . 0.79 110.879 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -50.86 -50.97 55.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.897 0.879 . . . . 3.3 109.277 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mp -62.43 -54.98 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-O 118.203 -0.903 . . . . 1.51 109.555 173.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.43 ' CE3' HD22 ' A' ' 16' ' ' LEU . 46.0 t90 -47.89 -49.43 29.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 119.806 1.185 . . . . 0.85 110.572 -171.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 26' ' ' ILE . 16.8 m-85 -64.42 -40.18 95.26 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.546 0.738 . . . . 1.21 112.0 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -62.17 -42.1 98.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.45 1.1 . . . . 4.12 110.954 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.279 2.232 . . . . 2.98 109.605 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -46.61 -54.54 9.28 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.473 1.909 . . . . 4.0 111.278 -167.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 113.875 1.065 . . . . 2.94 113.875 -175.048 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 104.462 -2.421 . . . . 2.29 104.462 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.99 169.83 12.33 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.766 1.626 . . . . 1.57 107.489 170.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -48.96 79.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.143 -1.058 . . . . 5.87 108.143 173.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -50.94 -57.29 8.91 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 118.407 0.548 . . . . 1.53 110.378 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.609 ' NE2' HD12 ' A' ' 40' ' ' LEU . 2.3 mt-30 -54.15 -57.71 10.11 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.68 0.752 . . . . 1.77 109.032 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -53.19 -34.18 55.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.465 -1.255 . . . . 0.69 112.62 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -47.92 69.87 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 121.393 1.906 . . . . 0.8 108.601 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.5 tp10 -61.97 -40.06 94.29 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.563 0.697 . . . . 3.09 109.662 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.44 -49.71 75.74 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.094 0.957 . . . . 1.51 111.559 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.9 -57.94 3.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.409 2.284 . . . . 3.99 111.495 173.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -61.87 -44.78 96.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.206 -0.598 . . . . 3.85 111.315 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.78 -37.77 80.01 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-O 121.529 0.68 . . . . 3.89 110.221 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.39 -46.03 88.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.96 -0.462 . . . . 1.16 110.435 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.62 -34.61 69.49 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 110.514 -0.18 . . . . 2.83 110.514 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.87 -51.22 65.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.585 0.754 . . . . 2.59 110.33 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.54 110.99 0.67 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.212 1.005 . . . . 2.25 110.325 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' A' ' 24' ' ' ARG . 12.1 ptt85 -65.61 -10.47 35.95 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.216 1.406 . . . . 4.17 112.19 -173.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -125.18 95.88 4.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 105.635 -1.987 . . . . 2.82 105.635 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.578 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.21 151.01 10.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.278 -0.569 . . . . 1.83 110.688 -171.791 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -62.08 149.02 42.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.886 -1.153 . . . . 1.23 107.886 170.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -54.32 -49.12 70.43 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.816 0.734 . . . . 5.02 109.981 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -52.66 -57.95 8.42 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 108.863 -0.792 . . . . 4.45 108.863 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpt85 -57.33 -36.84 71.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.609 0.568 . . . . 2.32 110.24 -175.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.578 ' HG3' HD12 ' A' ' 26' ' ' ILE . 8.5 ttm180 -71.83 -49.96 33.78 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.726 -0.609 . . . . 3.24 111.261 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.13 -41.78 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 119.488 1.04 . . . . 2.09 109.16 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -63.05 1.27 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.901 1.28 . . . . 1.91 107.569 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.421 ' CD1' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.43 -51.89 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 C-N-CA 122.328 0.251 . . . . 1.25 110.667 -178.677 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.96 -38.81 24.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.142 0.428 . . . . 0.58 110.345 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.85 -68.73 0.46 Allowed 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.272 0.357 . . . . 1.47 110.18 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.36 80.13 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.138 0.975 . . . . 0.72 112.581 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 15' ' ' GLU . 2.4 tt -78.76 -15.07 58.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.522 1.529 . . . . 0.93 109.855 -178.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t 59.76 73.81 0.47 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.448 1.099 . . . . 1.79 109.933 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.609 HD12 ' NE2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -139.79 -149.54 0.29 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 106.582 -1.636 . . . . 1.41 106.582 166.597 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -154.19 165.06 37.44 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 120.741 1.61 . . . . 1.21 110.514 172.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.48 -46.65 66.15 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.531 1.132 . . . . 5.6 112.561 -159.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.73 -40.55 97.55 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.173 -0.677 . . . . 7.15 109.173 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -59.39 -50.66 73.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.923 0.889 . . . . 4.05 109.238 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.61 -45.34 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 0.73 110.552 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.88 -51.36 61.43 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.236 -1.024 . . . . 3.75 108.236 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.2 -46.19 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.656 0.782 . . . . 2.06 111.274 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -58.83 -51.37 70.3 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 118.898 0.772 . . . . 0.65 109.195 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.96 -33.75 76.53 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.542 1.137 . . . . 1.36 111.805 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -61.47 -47.9 83.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.567 0.747 . . . . 4.12 109.603 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.87 -44.44 69.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.127 1.371 . . . . 2.41 108.782 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 tpt85 -49.31 -39.42 31.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.322 2.649 . . . . 4.32 112.413 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 124.065 0.946 . . . . 2.97 112.153 176.162 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--O 1.231 0.098 0 N-CA-C 108.324 -0.991 . . . . 2.06 108.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.48 163.42 23.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.772 0.796 . . . . 1.17 112.224 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -54.51 -47.97 72.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.596 -0.729 . . . . 5.38 109.273 169.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -63.48 -45.65 89.76 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-O 118.858 -0.592 . . . . 2.81 110.168 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.574 ' NE2' HD13 ' A' ' 40' ' ' LEU . 7.1 mt-30 -53.84 -51.04 64.84 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.114 -0.699 . . . . 1.48 109.114 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -59.83 -44.44 94.04 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.251 0.621 . . . . 0.72 111.597 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -47.68 81.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.396 0.998 . . . . 0.8 110.032 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.457 ' HG2' ' HG ' ' A' ' 38' ' ' LEU . 37.7 tp10 -53.92 -48.77 69.85 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 124.365 1.066 . . . . 2.91 108.207 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -42.17 98.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.826 0.85 . . . . 1.22 112.139 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.59 -46.6 78.76 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.88 -1.137 . . . . 2.91 111.452 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -32.29 73.88 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.836 -1.165 . . . . 3.3 110.245 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.58 -37.89 79.71 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 121.327 -0.858 . . . . 3.58 110.451 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.77 94.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.782 -1.192 . . . . 1.74 107.782 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.51 -34.93 73.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 122.016 -0.428 . . . . 2.88 111.297 172.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.9 -44.71 92.18 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.82 0.848 . . . . 2.08 109.736 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -170.45 148.39 3.13 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.598 1.159 . . . . 3.0 109.209 -175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -69.15 -29.94 68.07 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.446 -0.784 . . . . 4.64 111.163 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.47 141.84 28.71 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.457 1.503 . . . . 3.32 107.044 171.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.557 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -87.88 162.02 2.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.547 0.689 . . . . 1.48 112.615 -165.74 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.65 146.2 55.1 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.104 -1.443 . . . . 1.28 107.104 165.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -63.89 -36.05 82.67 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 118.544 -1.263 . . . . 4.55 110.762 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -54.82 -52.17 63.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.322 0.51 . . . . 4.84 110.406 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.66 -45.48 86.56 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.113 -0.699 . . . . 2.23 109.113 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HG3' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -59.31 -40.9 87.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.126 -0.359 . . . . 2.79 110.731 -177.228 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.58 -46.75 94.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 123.287 0.635 . . . . 1.32 110.366 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -63.03 1.28 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.55 -0.907 . . . . 2.31 108.55 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.431 HG23 HD12 ' A' ' 38' ' ' LEU . 1.7 mm -40.14 -67.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 125.835 1.654 . . . . 1.27 110.542 169.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.82 -42.5 7.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.161 -0.962 . . . . 0.99 111.685 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -69.57 -45.7 68.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.67 0.388 . . . . 1.81 111.654 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.99 -51.04 5.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.881 1.324 . . . . 1.11 110.414 -172.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HG ' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -69.37 -14.29 62.83 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 128.227 2.611 . . . . 1.1 109.867 -177.64 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m 66.91 37.36 4.0 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 124.793 1.237 . . . . 1.75 111.603 165.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD13 ' NE2' ' A' ' 12' ' ' GLN . 4.8 tp -117.69 -163.96 0.97 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.649 -0.871 . . . . 1.21 108.649 163.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -144.2 148.82 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.933 1.242 . . . . 1.06 110.826 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -48.56 -49.16 37.6 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 123.596 0.758 . . . . 3.38 112.777 -171.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -56.76 -47.99 78.85 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 123.905 0.882 . . . . 4.92 110.777 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -48.9 79.93 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.291 1.036 . . . . 4.55 108.387 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -64.08 -46.92 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 124.971 1.309 . . . . 0.83 110.355 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -51.79 -53.0 44.75 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.94 -0.763 . . . . 4.6 108.94 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.64 -46.71 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.103 0.561 . . . . 1.61 110.414 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -55.56 -50.53 69.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.156 0.889 . . . . 0.75 109.812 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -56.67 -48.51 77.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.486 -0.561 . . . . 1.34 109.486 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -49.86 -55.01 15.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.035 0.834 . . . . 4.82 109.615 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.37 -46.13 46.76 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 125.906 1.682 . . . . 2.65 111.325 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.62 62.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.497 1.519 . . . . 4.65 110.9 -171.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 N--CA 1.469 0.513 0 C-N-CA 124.461 1.104 . . . . 4.58 111.863 -176.825 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.434 -1.254 0 CA-C-O 121.57 0.7 . . . . 2.6 111.296 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.476 HG23 HE21 ' A' ' 12' ' ' GLN . 0.7 OUTLIER -139.63 170.75 15.33 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.718 1.607 . . . . 1.26 108.319 178.207 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.17 -56.16 20.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.605 -0.887 . . . . 3.99 108.605 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.41 -55.5 18.34 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.033 0.533 . . . . 1.51 110.004 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.476 HE21 HG23 ' A' ' 9' ' ' THR . 0.3 OUTLIER -53.97 -52.48 60.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.912 0.387 . . . . 1.45 110.697 -175.099 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 m -58.87 -43.48 90.87 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.611 -0.709 . . . . 0.7 110.697 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.32 90.0 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.808 1.185 . . . . 0.68 109.295 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -53.82 -54.79 33.44 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.094 -1.076 . . . . 3.51 108.094 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.78 -33.68 73.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.828 1.651 . . . . 1.19 112.594 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -51.64 30.81 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.927 -1.138 . . . . 2.32 107.927 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 51.31 0.89 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.794 1.283 . . . . 3.47 111.236 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG3' ' CD1' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -156.45 -38.81 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 129.759 3.224 . . . . 3.11 105.609 -172.22 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -63.15 -33.57 75.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.708 -1.245 . . . . 0.92 109.408 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.18 -30.9 71.45 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.963 -1.086 . . . . 3.54 111.337 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -64.99 -61.41 2.17 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.422 1.489 . . . . 2.07 110.044 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.63 108.08 0.09 Allowed 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.292 1.037 . . . . 2.47 109.019 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -56.31 23.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 121.371 0.605 . . . . 6.96 110.88 -168.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -78.07 90.55 4.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.609 -1.626 . . . . 2.44 106.609 167.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.553 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -63.56 151.09 9.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.884 0.373 . . . . 1.76 110.856 -171.614 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -57.48 144.31 37.26 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 107.428 -1.323 . . . . 1.2 107.428 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -56.82 -43.85 81.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.372 0.987 . . . . 7.53 110.195 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -61.53 -47.7 84.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.625 -0.43 . . . . 6.29 110.157 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -60.41 -43.74 96.41 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 109.509 -0.552 . . . . 2.17 109.509 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HG3' HD12 ' A' ' 26' ' ' ILE . 11.9 ttm180 -63.77 -41.95 97.89 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.771 -0.581 . . . . 2.71 109.457 -175.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.44 -49.49 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.655 0.661 . . . . 1.29 110.243 172.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -63.0 1.29 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.361 1.064 . . . . 2.0 108.134 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -53.63 -53.53 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 124.348 1.059 . . . . 1.04 110.74 178.328 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.44 18.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.952 0.796 . . . . 0.68 110.138 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.66 -69.5 0.32 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.706 -0.679 . . . . 1.24 110.381 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.02 79.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.172 0.989 . . . . 0.52 112.853 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 -8.35 59.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.274 1.83 . . . . 0.86 110.078 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 51.99 63.93 2.05 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.449 1.499 . . . . 1.95 113.016 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 40' ' ' LEU . 15.4 tp -147.02 157.53 43.64 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.548 -0.908 . . . . 1.61 108.548 166.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 p -83.02 147.87 27.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.36 0.982 . . . . 1.0 109.988 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -39.83 90.9 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 124.856 1.262 . . . . 4.71 110.65 -175.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.53 -51.81 67.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.505 0.722 . . . . 5.33 109.826 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.58 -42.95 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.835 0.854 . . . . 4.06 109.983 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.57 -51.98 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.163 1.385 . . . . 0.88 110.418 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -51.06 -48.33 61.59 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.004 0.82 . . . . 3.29 108.817 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.17 -48.42 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 118.248 -0.882 . . . . 1.95 110.469 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -54.15 -48.56 70.74 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.044 1.293 . . . . 0.57 110.957 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 26' ' ' ILE . 42.9 m-85 -70.42 -19.06 63.02 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.547 -0.721 . . . . 1.32 111.864 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -55.87 10.4 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.835 -0.802 . . . . 3.89 108.835 163.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -55.48 8.6 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.636 1.974 . . . . 2.25 111.784 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -50.73 8.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.568 1.947 . . . . 5.09 111.136 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 112.998 0.74 . . . . 4.11 112.998 178.738 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 105.373 -2.084 . . . . 2.44 105.373 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.67 169.69 17.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.606 1.162 . . . . 1.78 108.092 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -58.0 -54.61 44.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.697 -0.853 . . . . 5.5 108.697 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -49.95 -54.57 19.01 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.868 0.867 . . . . 1.88 110.062 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -62.57 1.57 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 119.146 -0.454 . . . . 4.34 110.488 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.2 m -46.74 -44.16 18.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.495 -0.764 . . . . 1.02 111.165 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -53.48 57.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.705 1.138 . . . . 0.79 109.828 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.61 -45.66 81.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.351 1.072 . . . . 3.13 110.301 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.33 -32.12 73.6 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.86 2.064 . . . . 1.63 111.684 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -43.56 63.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.678 1.126 . . . . 2.4 108.564 176.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -50.26 67.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.879 0.847 . . . . 4.24 109.199 171.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.18 -34.0 72.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.877 0.871 . . . . 3.6 112.343 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.84 -50.38 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.458 -0.777 . . . . 1.0 110.004 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -54.37 -37.05 64.54 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.949 0.499 . . . . 3.66 110.405 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -63.63 -61.47 2.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.988 0.515 . . . . 2.4 110.322 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -155.07 105.52 2.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 123.919 0.887 . . . . 2.78 109.349 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' A' ' 24' ' ' ARG . 10.9 ptt85 -63.18 -8.66 8.53 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.474 1.11 . . . . 4.28 111.724 -175.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -135.32 91.05 2.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.265 2.226 . . . . 3.13 105.064 167.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.571 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -67.36 149.13 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.438 -0.788 . . . . 1.83 109.881 -173.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.81 149.58 46.61 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.953 -1.023 . . . . 0.98 108.694 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 -55.17 -47.01 75.76 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 120.866 1.666 . . . . 4.68 110.354 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -56.07 -51.4 68.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.96 -0.385 . . . . 5.11 109.96 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.77 85.92 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.634 -0.506 . . . . 2.5 109.634 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.571 ' HG3' HD12 ' A' ' 26' ' ' ILE . 7.0 ttm180 -60.76 -43.69 97.69 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.758 0.823 . . . . 2.5 110.214 -174.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.4 -45.73 85.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 O-C-N 121.513 -0.742 . . . . 1.27 110.227 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.8 -63.04 1.28 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.999 -0.741 . . . . 1.94 108.999 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -61.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 126.099 1.76 . . . . 1.22 108.215 175.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.36 -42.84 32.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.92 0.782 . . . . 0.63 111.143 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -63.03 -55.93 21.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.539 -0.541 . . . . 1.54 109.539 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.35 70.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.174 0.59 . . . . 0.63 112.334 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -4.9 58.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.448 1.099 . . . . 1.11 108.325 -171.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.5 t 62.39 43.22 8.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.134 1.774 . . . . 1.99 112.011 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tp -134.27 -147.89 0.3 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.983 1.313 . . . . 1.74 111.477 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.4 p -153.34 156.26 38.0 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.092 -1.005 . . . . 1.12 111.822 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.52 -45.29 77.13 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.251 1.02 . . . . 3.48 110.064 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.56 -54.02 46.83 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.583 1.153 . . . . 7.83 110.765 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -57.35 -50.86 71.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.35 0.66 . . . . 2.87 109.78 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.17 -44.95 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.82 110.618 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -51.07 61.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.1 0.56 . . . . 4.57 109.75 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -58.12 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 118.166 -0.921 . . . . 1.53 110.12 173.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -47.64 -48.2 28.86 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.306 -0.627 . . . . 0.71 109.306 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -54.73 32.52 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.421 1.488 . . . . 1.49 111.476 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -49.87 -46.7 51.79 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.569 0.622 . . . . 3.56 110.342 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -56.48 21.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.478 1.911 . . . . 3.57 110.592 174.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -44.46 -40.02 5.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.865 1.666 . . . . 4.16 114.641 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 2.95 112.23 177.781 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 105.286 -2.116 . . . . 2.96 105.286 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.65 163.74 20.77 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.221 -0.592 . . . . 1.05 111.058 167.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.68 -53.52 53.82 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.889 -0.782 . . . . 3.82 108.889 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.85 -48.35 75.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.156 -0.475 . . . . 2.44 110.016 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG2' HD22 ' A' ' 38' ' ' LEU . 30.0 mt-30 -56.43 -55.18 36.77 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.34 -0.985 . . . . 2.3 108.34 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -51.22 -48.85 61.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.641 0.655 . . . . 0.6 112.162 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -47.81 82.23 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.551 -0.718 . . . . 0.73 109.498 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -62.31 -41.75 98.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.447 0.699 . . . . 2.77 110.359 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.3 -38.04 79.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.716 1.207 . . . . 2.02 110.927 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -41.68 77.41 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.247 -1.533 . . . . 3.18 108.525 175.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -59.8 -35.45 74.7 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.855 -1.153 . . . . 3.35 111.22 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -62.49 -41.06 98.54 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.972 1.709 . . . . 4.08 110.35 172.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.04 -46.11 89.08 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.396 -1.335 . . . . 1.43 107.396 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -39.42 79.18 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.507 0.723 . . . . 5.3 111.527 171.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -63.67 -37.69 88.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.207 1.003 . . . . 2.03 108.679 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -178.21 119.43 0.09 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.822 1.649 . . . . 2.81 108.431 -175.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -56.38 -40.13 74.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.325 -0.369 . . . . 4.69 110.44 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -118.77 101.06 7.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.447 1.099 . . . . 4.66 108.484 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.6 143.16 15.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.306 0.642 . . . . 2.87 110.337 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -57.31 152.55 13.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.755 -0.657 . . . . 0.91 109.407 161.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -56.36 -41.23 75.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.957 -0.697 . . . . 4.03 110.243 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -50.99 71.21 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.459 0.572 . . . . 3.94 111.106 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -59.58 -39.93 85.75 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.359 0.599 . . . . 2.06 109.653 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -64.7 -43.47 93.38 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.396 -0.366 . . . . 3.08 111.457 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -59.19 -49.02 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.29 0.636 . . . . 1.23 109.708 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.81 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 126.445 1.898 . . . . 2.06 108.75 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 38' ' ' LEU . 1.1 mt -54.03 -55.77 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.87 0.868 . . . . 1.19 110.787 173.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.25 18.9 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.922 1.237 . . . . 0.56 110.807 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -67.37 -59.36 3.46 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.349 0.66 . . . . 1.78 110.692 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.27 13.76 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.552 1.168 . . . . 0.61 111.298 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 ' HG2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -68.5 -15.14 63.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.277 2.231 . . . . 0.99 109.54 -175.724 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.7 m 75.34 51.99 0.07 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.474 1.509 . . . . 2.39 111.478 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.19 -178.98 5.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.25 -0.278 . . . . 2.86 110.25 173.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.56 135.57 48.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.597 0.237 . . . . 1.49 110.56 -173.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.12 -50.29 8.63 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.596 1.558 . . . . 4.53 112.422 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -40.45 89.76 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.135 -0.978 . . . . 9.02 111.236 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.8 -45.26 95.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 122.105 0.955 . . . . 3.09 109.983 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -47.37 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 C-N-CA 125.127 1.371 . . . . 1.94 109.244 172.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -52.99 -53.68 46.35 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.588 -0.893 . . . . 3.99 108.588 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.5 mt -59.18 -42.61 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 122.793 0.437 . . . . 2.12 110.625 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -55.8 -55.49 31.77 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.843 0.457 . . . . 0.57 110.276 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.41 -48.89 76.02 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.272 1.429 . . . . 1.25 110.227 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -46.99 80.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.474 1.11 . . . . 3.87 109.367 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -59.51 4.68 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.437 -1.32 . . . . 2.5 107.437 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -51.22 -45.7 62.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.943 1.297 . . . . 4.73 110.73 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.347 0.467 0 C-N-CA 126.817 2.047 . . . . 4.48 114.784 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 106.602 -1.629 . . . . 2.42 106.602 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 168.78 19.33 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.893 2.077 . . . . 1.23 105.876 173.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.98 46.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.487 -0.931 . . . . 5.1 108.487 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -56.25 7.94 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 124.025 0.93 . . . . 2.69 110.528 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.76 -55.87 25.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.834 0.349 . . . . 1.9 110.669 -173.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -55.02 -45.08 75.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.284 -0.865 . . . . 0.69 111.206 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -51.48 65.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 119.925 1.238 . . . . 1.01 110.227 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -55.56 -52.97 61.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.824 0.821 . . . . 3.26 109.094 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.2 -35.76 74.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.755 -0.657 . . . . 1.17 112.722 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -38.43 71.62 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.698 0.681 . . . . 2.36 109.723 178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.68 -47.83 81.22 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.441 -0.787 . . . . 5.45 110.111 169.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.59 -41.02 80.34 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 122.727 1.251 . . . . 3.35 111.199 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -63.39 -37.84 88.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 1.21 110.588 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.96 -27.38 68.8 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.752 -0.593 . . . . 2.96 110.963 170.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -52.57 60.19 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.555 -0.905 . . . . 2.25 108.555 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.449 HD21 ' HB ' ' A' ' 26' ' ' ILE . 15.6 p30 -168.66 166.19 11.89 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 2.92 110.084 -170.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -96.35 3.62 52.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.427 1.091 . . . . 5.44 111.725 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -171.71 88.48 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.613 1.565 . . . . 3.41 108.265 -167.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -89.39 140.93 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.249 -1.019 . . . . 2.06 108.249 -173.712 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -56.02 151.23 12.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.732 0.696 . . . . 1.19 110.959 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.421 0.555 . . . . 4.96 110.425 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.79 85.02 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.752 0.706 . . . . 3.99 109.853 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.63 -32.71 74.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.426 0.69 . . . . 3.23 110.06 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -77.71 -35.58 51.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.425 1.09 . . . . 3.14 111.087 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.9 -46.37 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 0.96 108.71 169.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.53 -63.2 1.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.106 1.763 . . . . 1.89 109.034 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.12 -52.73 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 123.434 0.693 . . . . 1.05 111.071 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.52 -41.02 28.79 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.545 1.066 . . . . 0.53 110.595 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.19 -54.64 11.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.481 -0.327 . . . . 1.69 110.72 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.83 67.21 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 0.72 111.755 -175.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -42.21 86.36 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.027 1.731 . . . . 1.13 108.663 -175.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t 95.61 72.35 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.556 2.743 . . . . 1.58 110.102 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 tp -158.59 -162.34 1.1 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.293 1.437 . . . . 1.46 108.055 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.0 p -133.74 156.96 47.02 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 120.707 1.594 . . . . 1.03 112.347 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.51 -32.79 72.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 4.03 111.57 -173.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -64.38 -51.7 61.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.557 -1.339 . . . . 5.74 109.947 172.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.57 -51.29 67.92 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.959 1.304 . . . . 2.94 109.458 -172.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -58.62 -47.12 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 124.19 0.996 . . . . 1.04 110.652 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -55.83 -46.34 78.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 118.743 -0.646 . . . . 4.78 111.337 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.6 mt -54.86 -56.94 8.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 118.721 0.692 . . . . 1.99 109.309 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -49.86 -47.12 51.96 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.969 -0.539 . . . . 0.49 109.95 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.08 -58.13 10.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.247 0.619 . . . . 1.47 110.761 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -48.51 -43.72 35.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.065 0.946 . . . . 3.61 110.897 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -65.34 0.71 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.85 1.66 . . . . 3.24 110.149 172.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.7 tpt85 -51.85 -39.38 58.79 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.829 2.052 . . . . 4.28 114.184 -173.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 113.92 1.082 . . . . 5.6 113.92 -168.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.437 -1.098 0 CA-C-O 120.746 0.307 . . . . 2.29 110.792 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 161.09 29.86 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 1.44 111.671 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -57.83 -51.05 71.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.445 -0.946 . . . . 5.23 108.445 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.41 -47.72 62.87 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 123.451 0.7 . . . . 2.16 110.23 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.59 -56.32 18.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.061 -0.718 . . . . 1.39 109.061 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 m -56.58 -47.63 79.13 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.981 0.512 . . . . 0.63 111.403 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -48.63 79.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.113 0.565 . . . . 0.99 109.901 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -54.24 -43.32 70.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.278 1.431 . . . . 3.04 109.163 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.22 -42.11 84.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.54 1.136 . . . . 1.12 112.486 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -36.57 70.0 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.4 -1.333 . . . . 3.11 107.4 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -59.28 -48.58 81.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.731 -1.231 . . . . 3.05 110.045 170.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -56.6 -36.23 69.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.986 -1.071 . . . . 3.22 111.612 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.38 -42.76 98.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.273 -0.876 . . . . 1.01 109.043 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.76 -25.62 66.63 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 119.09 -0.481 . . . . 2.94 111.631 170.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -58.63 6.29 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 107.972 -1.121 . . . . 2.22 107.972 175.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -158.89 135.51 9.41 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.652 -1.61 . . . . 3.69 106.652 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -60.72 -19.77 59.58 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.408 0.549 . . . . 6.03 110.987 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -133.99 97.42 3.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.452 1.901 . . . . 2.65 109.617 168.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.34 155.07 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 109.004 -0.739 . . . . 2.45 109.004 165.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.75 152.92 37.98 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.429 0.691 . . . . 1.02 110.647 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.54 -52.34 65.96 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.329 -0.857 . . . . 6.19 109.911 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -40.8 -55.95 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.99 1.316 . . . . 3.71 110.129 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -70.09 -38.65 75.74 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 119.658 -0.817 . . . . 2.5 109.941 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm105 -59.82 -47.99 83.47 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.714 1.143 . . . . 4.45 111.736 -172.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.39 -56.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 122.211 1.005 . . . . 2.14 109.381 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.09 -63.05 1.27 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.179 2.592 . . . . 3.47 109.026 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -59.36 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 126.244 1.817 . . . . 1.35 108.773 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.19 -38.85 63.2 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 119.396 0.998 . . . . 0.95 110.717 -173.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.09 -60.41 3.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.169 0.918 . . . . 2.29 108.686 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.75 67.7 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.56 0.948 . . . . 0.88 113.56 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 -4.18 53.7 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 1.01 109.147 -170.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.61 40.5 4.46 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.487 1.515 . . . . 2.65 112.449 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -121.29 -140.3 0.33 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 107.68 -1.23 . . . . 1.55 107.68 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 p -151.61 168.45 24.91 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 120.773 1.624 . . . . 1.17 109.437 169.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -65.65 -39.21 91.14 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.249 1.024 . . . . 3.49 109.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -59.51 5.23 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.641 0.776 . . . . 9.05 109.018 171.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.53 -39.92 92.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.098 -0.477 . . . . 3.33 111.554 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.91 -54.61 32.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 N-CA-C 108.596 -0.89 . . . . 0.96 108.596 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -51.43 -49.02 62.48 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.546 0.612 . . . . 4.86 110.907 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.4 mt -63.19 -42.94 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.314 0.645 . . . . 1.77 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -59.03 -49.57 77.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.417 0.687 . . . . 0.6 110.114 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.59 -53.97 51.36 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.291 -1.003 . . . . 1.11 108.291 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -47.05 -54.22 10.81 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.778 -0.453 . . . . 3.64 109.778 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.78 -45.65 89.35 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.664 1.186 . . . . 2.84 108.861 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -83.74 -5.58 59.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.102 1.361 . . . . 5.4 112.091 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 . . . . . 0 CA--C 1.508 -0.662 0 N-CA-C 106.175 -1.787 . . . . 3.6 106.175 158.913 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 . . . . . 0 C--O 1.237 0.412 0 CA-C-O 122.162 0.982 . . . . 3.12 113.462 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.55 157.23 37.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.655 -0.702 . . . . 1.59 110.205 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -54.12 -52.22 61.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.386 -0.968 . . . . 4.61 108.386 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -52.79 -45.94 67.41 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.494 0.496 . . . . 2.47 110.623 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.01 -57.83 9.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.173 0.511 . . . . 1.48 110.528 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -60.3 -46.49 89.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 119.207 -0.425 . . . . 0.63 111.252 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -47.84 80.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.881 0.764 . . . . 0.62 109.216 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.1 -53.28 55.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.638 1.175 . . . . 3.04 108.572 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.346 0.658 . . . . 1.27 112.636 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.13 -47.74 64.27 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 121.02 -1.05 . . . . 2.57 108.863 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -62.9 -35.66 80.79 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.999 -1.063 . . . . 3.06 111.863 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -54.08 -49.37 69.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.468 1.107 . . . . 3.73 108.783 171.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -63.69 -42.48 98.0 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.072 0.549 . . . . 1.61 110.912 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.82 -31.11 72.04 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.03 0.532 . . . . 3.3 110.808 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.86 -50.58 68.28 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.234 -1.025 . . . . 2.83 108.234 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -169.39 162.61 10.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.632 -1.247 . . . . 2.25 107.632 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -87.66 5.91 37.35 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.767 1.025 . . . . 5.87 113.767 -170.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 177.14 104.23 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.32 1.418 . . . . 2.96 107.841 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.3 173.85 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 2.79 109.884 -161.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.26 144.39 55.65 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 119.34 0.973 . . . . 1.74 108.877 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -57.17 -44.73 83.8 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.073 0.852 . . . . 4.53 110.021 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' NH1' ' HB2' ' A' ' 33' ' ' ASP . 21.5 tpt85 -49.33 -51.72 32.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.025 0.375 . . . . 4.13 110.477 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -71.99 -35.73 69.56 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.508 0.505 . . . . 2.3 111.086 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -34.32 65.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.532 -1.355 . . . . 6.28 109.815 -177.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -59.2 -53.24 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 107.944 -1.132 . . . . 1.14 107.944 165.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.538 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.8 t70 -53.85 -62.99 1.29 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 105.625 -1.991 . . . . 2.51 105.625 -167.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 126.528 1.931 . . . . 0.85 108.957 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.91 52.79 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.894 0.77 . . . . 0.67 110.164 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -62.49 -36.39 82.35 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.057 -0.974 . . . . 2.55 110.407 -175.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.38 26.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 0.85 112.628 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -28.84 26.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.199 0.999 . . . . 0.89 108.616 -163.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t 79.55 41.12 0.08 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.629 1.571 . . . . 2.19 111.486 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.4 159.94 26.49 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 105.389 -2.078 . . . . 1.64 105.389 163.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.7 p -85.02 162.8 19.2 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 119.234 -0.987 . . . . 1.6 110.743 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.67 55.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.915 -0.772 . . . . 2.92 108.915 174.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.61 88.18 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.521 1.129 . . . . 6.04 108.977 -176.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.03 -44.55 88.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.862 -0.589 . . . . 3.25 110.899 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.8 mt -59.06 -49.62 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 119.313 0.96 . . . . 0.96 110.537 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -46.62 -56.09 6.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.007 -0.433 . . . . 3.63 110.459 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.34 -40.25 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.173 0.442 . . . . 2.02 111.738 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -58.69 -53.27 60.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.091 0.956 . . . . 0.58 108.784 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -58.37 -49.23 77.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.42 -0.355 . . . . 1.17 110.57 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 53.3 tt0 -55.73 -37.05 67.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.028 0.931 . . . . 4.23 110.778 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -69.61 -42.76 73.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.782 0.833 . . . . 2.62 109.984 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -53.21 50.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.864 0.866 . . . . 5.21 109.638 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.411 ' CD ' ' HA ' ' A' ' 50' ' ' GLN . 7.1 ptm85 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 115.385 1.624 . . . . 3.57 115.385 -166.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 110.072 -0.344 . . . . 2.79 110.072 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.45 163.75 31.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.745 2.418 . . . . 0.92 105.791 170.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -54.29 -51.34 64.91 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.271 -0.64 . . . . 4.68 109.271 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.27 -54.34 21.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.994 0.918 . . . . 1.64 110.172 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.76 -56.66 15.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.503 0.321 . . . . 2.09 110.974 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -53.79 -41.94 67.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.538 -0.744 . . . . 0.72 111.106 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -50.11 74.93 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.516 1.053 . . . . 0.59 109.518 177.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -57.69 -45.16 86.04 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.235 0.47 . . . . 3.11 110.002 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.88 -42.0 99.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.076 0.95 . . . . 1.18 112.538 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.25 -54.12 47.49 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.1 -1.0 . . . . 3.72 109.904 170.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -56.12 -39.14 71.75 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 122.2 -0.313 . . . . 4.71 111.305 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.593 ' OE2' HD11 ' A' ' 26' ' ' ILE . 10.1 tt0 -53.95 -35.64 61.96 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.145 1.378 . . . . 4.19 111.077 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -63.68 -25.8 68.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 122.55 0.34 . . . . 1.12 110.688 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -84.17 -21.1 31.42 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.302 1.041 . . . . 3.19 111.22 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.85 -38.47 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.417 -0.957 . . . . 2.71 108.417 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 p30 173.7 174.55 0.15 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.964 2.506 . . . . 2.34 106.803 161.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -72.26 -14.46 61.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.277 0.843 . . . . 5.14 113.277 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -175.68 109.04 0.1 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 107.539 -1.282 . . . . 4.14 107.539 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.593 HD11 ' OE2' ' A' ' 19' ' ' GLU 0.271 0.0 OUTLIER -73.33 146.1 10.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 119.101 -1.039 . . . . 1.65 113.718 -168.388 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -56.36 143.87 32.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 112.867 -1.969 . . . . 1.59 109.289 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -61.34 -34.18 74.85 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.044 -0.662 . . . . 4.53 111.541 -169.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.97 -48.75 80.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.511 0.596 . . . . 4.99 109.808 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -36.38 74.8 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 122.773 1.273 . . . . 2.31 109.097 -174.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.528 ' HA ' HD12 ' A' ' 26' ' ' ILE . 11.2 ttm180 -72.2 -35.39 68.91 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.085 -0.961 . . . . 2.37 110.212 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.07 -44.76 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.466 0.575 . . . . 1.27 109.851 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -63.5 1.13 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.49 -0.559 . . . . 1.81 109.49 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 122.972 0.509 . . . . 0.82 110.548 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.58 -39.32 23.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.301 0.955 . . . . 0.55 110.447 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -65.72 -58.88 4.64 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.838 0.29 . . . . 1.13 110.333 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.01 47.01 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.754 0.787 . . . . 0.56 112.442 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -19.82 65.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.961 2.104 . . . . 0.81 108.326 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m 74.4 39.43 0.47 Allowed 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 127.128 2.171 . . . . 2.38 110.843 171.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 40' ' ' LEU . 7.1 tp -120.28 -160.93 0.85 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.317 1.847 . . . . 1.48 109.3 -176.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.06 138.48 49.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.701 1.137 . . . . 1.16 112.075 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -49.55 -45.92 48.17 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.681 1.992 . . . . 3.11 112.31 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -56.07 -50.48 70.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.439 1.495 . . . . 5.74 110.528 170.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.401 HE21 ' C ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -58.86 -43.24 90.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.104 0.562 . . . . 3.86 109.505 -177.185 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.56 -48.63 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.706 -0.479 . . . . 0.94 109.706 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -48.0 -53.11 17.26 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.254 0.479 . . . . 3.39 110.442 175.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.36 -56.81 11.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 CA-C-O 118.755 -0.64 . . . . 1.73 109.588 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -52.2 -46.48 65.63 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.294 0.497 . . . . 0.68 110.194 -170.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -62.8 -47.53 83.03 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.529 0.332 . . . . 1.25 111.542 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -56.08 -45.63 79.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 3.79 110.6 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -60.7 3.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.394 1.878 . . . . 3.07 109.497 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -49.49 -41.91 41.99 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.361 1.464 . . . . 4.1 111.072 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 . . . . . 0 CA--C 1.531 0.248 0 C-N-CA 124.8 1.24 . . . . 3.69 114.346 170.179 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 106.458 -1.682 . . . . 2.28 106.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.77 162.82 27.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.888 0.375 . . . . 1.02 110.051 158.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -55.88 -44.38 78.11 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.622 -0.51 . . . . 5.29 109.622 171.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.71 -52.02 66.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.616 0.573 . . . . 1.94 110.234 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.463 ' HG2' HD22 ' A' ' 38' ' ' LEU . 15.7 mt-30 -54.3 -46.43 72.78 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.746 -0.464 . . . . 2.12 109.746 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -57.46 -53.2 60.86 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.369 -0.824 . . . . 0.55 110.952 174.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -48.69 68.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.813 1.188 . . . . 0.6 110.528 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.595 ' CG ' HD11 ' A' ' 38' ' ' LEU . 11.4 tp10 -58.09 -50.25 74.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.391 0.676 . . . . 2.6 109.75 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.36 -37.95 76.25 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.689 0.796 . . . . 1.2 112.35 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -56.8 12.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.021 -1.844 . . . . 2.87 106.021 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.16 73.36 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 119.868 -0.733 . . . . 4.01 111.961 173.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -54.75 -34.08 62.07 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 121.067 -1.021 . . . . 3.46 111.538 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.83 -39.23 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.898 -1.047 . . . . 1.25 108.931 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -81.68 -20.43 39.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.898 0.479 . . . . 6.16 111.275 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -51.26 64.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.695 -1.224 . . . . 2.66 107.695 168.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -147.71 119.35 8.01 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.848 0.859 . . . . 2.6 109.007 -173.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -53.94 -34.5 59.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.446 0.298 . . . . 5.58 111.064 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -141.25 129.62 22.42 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 105.696 -1.964 . . . . 2.74 105.696 158.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -90.18 138.05 20.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 C-N-CA 124.336 1.054 . . . . 2.24 109.032 -165.823 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -54.09 144.56 19.19 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.015 -0.735 . . . . 0.87 109.015 -172.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -56.38 -35.85 68.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.369 0.986 . . . . 4.03 111.329 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -58.26 -54.45 46.8 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.934 0.788 . . . . 6.63 110.203 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HG3' HD12 ' A' ' 26' ' ' ILE . 31.2 tpt180 -58.26 -39.72 79.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.991 0.424 . . . . 1.84 110.255 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.7 ttp85 -74.14 -36.6 64.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.975 -1.078 . . . . 2.67 111.961 -175.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.8 -52.12 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.416 -0.587 . . . . 1.1 109.416 165.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -63.23 1.21 Allowed 'General case' 0 N--CA 1.46 0.056 0 N-CA-C 107.959 -1.126 . . . . 1.93 107.959 -176.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.765 HG12 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -56.75 -52.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.195 0 C-N-CA 124.242 1.017 . . . . 0.8 110.263 -178.224 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -45.59 39.04 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 119.357 0.981 . . . . 0.49 109.988 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.4 -60.14 2.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 123.88 0.738 . . . . 1.39 110.698 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.32 79.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.25 0.548 . . . . 0.72 111.896 -173.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.765 HD12 HG12 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -83.29 -24.17 32.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.169 1.788 . . . . 1.22 109.582 -170.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 84.67 56.13 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.663 1.585 . . . . 1.82 111.436 170.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.89 -164.79 1.63 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.416 -1.327 . . . . 1.47 107.416 165.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -126.92 149.0 50.02 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.849 1.659 . . . . 0.89 110.424 172.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -25.97 67.34 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.275 0.472 . . . . 3.28 112.275 -169.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -70.16 -50.52 39.51 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.981 1.712 . . . . 4.88 110.437 172.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -62.44 -40.05 95.31 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.751 -0.833 . . . . 2.92 108.751 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mt -56.66 -54.17 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.461 1.904 . . . . 0.75 110.654 168.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.94 -47.84 70.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.22 -0.925 . . . . 4.42 110.557 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mt -54.52 -57.04 7.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 N-CA-C 109.041 -0.726 . . . . 1.77 109.041 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -48.15 -46.89 34.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.42 0.554 . . . . 0.6 110.427 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.33 -48.67 78.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.439 1.496 . . . . 1.25 112.217 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -53.81 -51.54 63.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.592 1.157 . . . . 4.28 109.513 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -61.66 2.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.338 1.855 . . . . 3.26 109.496 176.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -43.81 -54.14 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.896 1.679 . . . . 4.84 111.71 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 115.044 1.498 . . . . 3.87 115.044 -176.357 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 106.694 -1.595 . . . . 2.05 106.694 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.22 166.83 21.03 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 110.242 -0.281 . . . . 1.02 110.242 162.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.3 ttt85 -64.26 -45.26 88.91 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 119.017 -1.073 . . . . 5.13 109.804 171.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -55.04 6.63 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.61 1.096 . . . . 2.46 110.077 173.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' NE2' HD13 ' A' ' 40' ' ' LEU . 3.8 mt-30 -54.34 -57.08 12.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.611 -0.514 . . . . 1.47 109.611 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 m -53.72 -39.41 65.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.534 0.734 . . . . 0.81 111.473 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -49.12 71.89 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.097 -1.446 . . . . 0.84 107.097 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.76 -50.48 70.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.693 -0.484 . . . . 2.69 109.693 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.97 -39.05 71.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.955 0.902 . . . . 1.79 112.434 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -52.96 60.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.933 1.293 . . . . 2.59 109.435 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -61.5 -32.75 72.78 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.343 -0.848 . . . . 3.12 111.281 173.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -37.47 83.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.778 -1.201 . . . . 3.24 110.3 172.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 15.5 t80 -63.71 -15.04 57.45 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.816 -1.177 . . . . 1.14 112.028 173.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -94.8 -17.38 22.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.05 1.34 . . . . 2.81 111.174 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -46.22 74.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.3 -1.741 . . . . 2.3 106.3 172.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.473 ' OD1' HG22 ' A' ' 26' ' ' ILE . 12.7 p30 -173.56 -176.37 1.27 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.768 2.027 . . . . 3.16 106.298 -172.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 5.6 ptp180 -139.55 34.06 2.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.785 0.834 . . . . 7.92 110.424 167.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -175.79 88.47 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.737 3.215 . . . . 4.17 105.611 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -105.56 150.12 8.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 124.039 0.936 . . . . 2.42 110.804 -170.019 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -64.33 147.46 52.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.556 -0.535 . . . . 1.31 109.556 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -61.93 -37.54 85.06 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 119.609 -0.836 . . . . 4.26 110.503 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -48.98 66.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.041 0.536 . . . . 4.68 109.631 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.66 -37.34 70.8 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 122.163 -0.335 . . . . 1.93 111.146 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -71.6 -40.16 70.02 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.176 -0.952 . . . . 2.75 111.547 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.61 -47.3 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.807 0.73 . . . . 1.18 109.666 173.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -63.43 1.15 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.602 1.561 . . . . 2.11 109.088 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -46.83 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 116.034 -0.53 . . . . 1.21 110.148 -178.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.79 38.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.574 0.75 . . . . 0.69 109.558 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -67.09 -58.64 4.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 124.171 0.919 . . . . 1.23 110.011 -176.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.94 84.13 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.427 0.632 . . . . 0.68 112.253 -175.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.49 -40.33 80.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.808 2.043 . . . . 1.05 109.002 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 92.85 42.99 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.074 2.55 . . . . 1.53 111.04 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.44 HD13 ' NE2' ' A' ' 12' ' ' GLN . 6.8 tp -136.1 144.69 45.26 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.214 -0.928 . . . . 1.9 108.573 174.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.42 144.51 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.709 0.803 . . . . 1.51 111.589 -168.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -48.55 -49.05 38.04 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.68 0.673 . . . . 3.07 111.807 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -43.0 68.48 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.208 0.603 . . . . 5.71 109.777 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -54.03 40.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.845 0.858 . . . . 3.86 108.696 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -54.27 -43.95 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.393 1.077 . . . . 0.95 109.573 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -57.88 -53.94 52.52 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.719 -0.613 . . . . 3.3 110.469 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.43 -43.99 95.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 117.829 0.286 . . . . 1.96 110.637 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.04 -48.29 78.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.55 1.14 . . . . 0.65 109.031 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -64.01 -49.47 72.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 122.096 -0.378 . . . . 1.42 110.609 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.22 -43.44 52.78 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.758 -0.46 . . . . 3.89 109.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.45 -59.62 3.81 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.552 -1.277 . . . . 2.25 107.552 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -50.64 -37.52 41.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 127.182 2.193 . . . . 4.17 112.909 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 . . . . . 0 N--CA 1.455 -0.19 0 C-N-CA 123.926 0.891 . . . . 4.36 111.014 177.51 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 109.512 -0.551 . . . . 2.25 109.512 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.1 158.87 33.47 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.348 0.594 . . . . 1.37 110.847 167.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -56.36 -49.23 75.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.814 -0.809 . . . . 4.31 108.814 171.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -52.62 -49.86 64.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.92 0.488 . . . . 1.97 110.666 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.449 ' HG2' ' CD2' ' A' ' 38' ' ' LEU . 2.9 mt-30 -53.83 -56.08 20.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.748 -0.834 . . . . 1.39 108.748 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 m -55.63 -46.63 77.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.35 -0.841 . . . . 0.87 110.692 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -50.78 72.71 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.19 0.905 . . . . 0.68 109.772 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.54 -44.55 72.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.401 -0.592 . . . . 2.88 109.401 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.37 -45.67 83.17 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.574 1.15 . . . . 1.18 112.854 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.0 -50.28 36.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.603 1.561 . . . . 2.93 109.082 172.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -62.06 -49.24 76.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.647 1.579 . . . . 3.04 112.032 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -33.58 56.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.835 1.654 . . . . 3.13 109.596 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.48 -27.68 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.621 -1.299 . . . . 1.07 111.348 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -70.3 -25.4 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.652 -0.655 . . . . 3.0 110.896 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.31 80.55 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.513 -0.921 . . . . 1.99 108.513 173.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.19 146.2 3.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.917 0.487 . . . . 3.24 111.35 -170.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -76.52 -21.4 55.79 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.545 0.738 . . . . 4.7 112.318 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -145.49 142.49 29.28 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 105.505 -2.035 . . . . 2.8 105.505 164.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.443 HG22 ' HB3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -85.04 147.52 5.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 113.526 0.936 . . . . 1.87 113.526 -175.215 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -70.22 148.78 48.2 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.344 1.457 . . . . 1.18 109.14 173.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.12 -46.5 68.79 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 120.923 1.692 . . . . 3.63 111.365 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -55.94 -46.64 78.45 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.692 0.397 . . . . 4.5 110.89 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HB3' HG22 ' A' ' 26' ' ' ILE . 26.4 tpt180 -74.06 -33.91 63.85 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.92 0.39 . . . . 2.18 110.506 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 ttp-105 -68.54 -44.64 74.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 121.549 -0.72 . . . . 3.75 109.824 -172.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.7 -49.84 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.669 -0.493 . . . . 1.99 109.669 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.24 -62.93 1.34 Allowed 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 125.158 1.383 . . . . 2.21 107.804 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.5 mm -50.41 -62.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 124.526 1.13 . . . . 1.4 111.301 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.97 -37.39 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.44 0.696 . . . . 0.54 110.836 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -73.33 -65.77 0.77 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.689 0.618 . . . . 1.97 110.598 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.48 84.76 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.994 0.902 . . . . 0.8 110.659 -167.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -86.25 -4.35 59.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.406 2.282 . . . . 1.15 109.511 179.625 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m 44.44 62.15 2.13 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 126.363 1.865 . . . . 2.0 112.786 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 tp -124.63 -152.47 0.52 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 106.027 -1.842 . . . . 1.49 106.027 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -152.38 152.99 32.72 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 121.343 1.883 . . . . 0.93 112.032 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -49.85 -49.83 47.72 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 2.92 113.412 -170.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.14 -50.0 72.33 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.421 -0.585 . . . . 6.07 109.421 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -51.34 68.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.526 -0.916 . . . . 3.67 108.526 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.6 mt -53.77 -56.74 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 1.55 109.429 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -47.28 -53.72 12.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.605 0.639 . . . . 3.5 110.022 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.67 -38.39 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.1 -0.476 . . . . 2.23 111.522 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.49 -53.12 60.64 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.896 0.771 . . . . 0.61 109.87 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CE1' HD11 ' A' ' 26' ' ' ILE . 17.5 m-85 -59.77 -45.31 92.67 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 108.621 -0.881 . . . . 1.12 108.621 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.62 51.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.338 -0.245 . . . . 4.03 110.338 174.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -58.24 -46.25 86.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.561 1.144 . . . . 2.33 108.658 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -50.67 59.35 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.957 1.303 . . . . 4.05 110.772 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 113.362 0.875 . . . . 5.05 113.362 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.429 -1.499 0 N-CA-C 108.274 -1.01 . . . . 2.35 108.274 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.42 162.69 35.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.111 -2.181 . . . . 1.67 105.111 -172.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -58.42 -39.31 79.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 120.44 1.473 . . . . 5.73 109.926 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.77 -61.63 2.18 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.364 0.666 . . . . 1.95 109.744 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.06 -48.82 70.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.843 0.83 . . . . 1.73 110.385 -173.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.5 m -65.41 -29.33 70.01 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 117.631 -1.176 . . . . 0.86 111.365 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.84 87.72 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.607 2.003 . . . . 0.71 108.24 172.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -52.23 61.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 106.535 -1.654 . . . . 2.51 106.535 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.637 HD12 ' CE3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -61.72 -44.8 96.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.728 1.211 . . . . 2.59 112.098 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.4 -51.36 59.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.563 -1.336 . . . . 4.32 111.036 171.581 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -65.42 -34.13 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.134 -0.979 . . . . 3.84 111.478 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -53.78 -41.81 67.62 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.19 0.996 . . . . 4.57 110.312 169.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.74 -47.15 82.21 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.562 -0.711 . . . . 1.21 110.161 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.61 -27.84 68.06 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.523 -0.308 . . . . 2.72 111.437 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.96 -66.26 0.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.956 1.302 . . . . 2.77 108.908 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -157.64 131.23 7.89 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.864 -0.791 . . . . 3.22 108.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.73 -29.61 64.89 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.489 0.716 . . . . 4.77 111.981 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -130.74 120.52 23.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.222 -1.399 . . . . 2.69 107.222 170.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.433 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -93.15 151.18 3.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 108.552 -0.907 . . . . 1.52 108.552 174.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.12 149.64 49.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.007 -1.108 . . . . 1.27 108.007 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -61.17 -38.89 88.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 120.661 1.573 . . . . 4.38 110.967 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -54.57 -53.24 57.16 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.606 0.639 . . . . 4.93 109.938 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -67.18 -40.5 86.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.893 0.378 . . . . 2.16 110.549 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HG3' HD12 ' A' ' 26' ' ' ILE . 3.2 ttm105 -65.25 -43.4 91.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.832 -0.803 . . . . 2.66 108.832 -177.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.1 -47.97 89.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 118.7 0.682 . . . . 1.2 109.934 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.04 -63.66 1.07 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 108.35 -0.982 . . . . 1.96 108.35 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -57.25 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.49 -0.777 . . . . 1.14 110.056 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.97 -39.32 59.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.575 0.75 . . . . 0.68 110.935 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -68.04 -48.18 66.35 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.504 -0.554 . . . . 1.62 109.504 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.99 93.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.036 0.384 . . . . 0.63 112.036 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -30.79 32.54 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.758 1.223 . . . . 0.94 109.571 -170.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 t 84.99 54.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 128.092 2.557 . . . . 2.12 110.231 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -160.38 1.07 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 2.05 109.275 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -146.52 164.52 32.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.511 1.505 . . . . 1.5 112.332 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.92 -36.82 77.83 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 122.612 0.365 . . . . 3.72 110.463 169.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.89 -54.74 43.71 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.282 -0.636 . . . . 5.83 109.282 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.65 -57.74 10.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.263 -0.575 . . . . 4.01 110.319 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.402 HG23 ' CE1' ' A' ' 49' ' ' PHE . 67.7 mt -54.61 -45.49 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 110.053 -0.351 . . . . 1.26 110.053 -172.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -48.4 -58.5 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.172 -0.677 . . . . 3.28 109.172 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -44.64 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 122.961 0.504 . . . . 2.01 111.512 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.637 ' CE3' HD12 ' A' ' 16' ' ' LEU . 33.7 t90 -57.9 -48.68 79.17 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 108.862 -0.792 . . . . 0.58 108.862 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.402 ' CE1' HG23 ' A' ' 45' ' ' ILE . 7.1 m-85 -67.18 -36.26 81.41 Favored 'General case' 0 C--O 1.232 0.134 0 O-C-N 121.637 -0.665 . . . . 1.44 110.71 -178.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.57 -54.92 30.53 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.584 -0.895 . . . . 4.11 108.584 171.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -59.6 -43.57 93.69 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.934 1.294 . . . . 2.49 109.128 -175.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -77.52 -35.95 52.92 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.152 -0.927 . . . . 6.12 110.768 -170.392 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 . . . . . 0 N--CA 1.449 -0.485 0 C-N-CA 119.207 -0.997 . . . . 3.58 108.586 174.589 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.852 0.358 . . . . 1.94 110.37 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.33 170.25 12.69 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.465 1.506 . . . . 1.03 109.765 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -57.81 -49.81 75.39 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 4.3 109.908 172.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.13 -53.68 54.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.95 -0.759 . . . . 1.46 108.95 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.95 -48.45 70.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.8 0.333 . . . . 1.69 110.33 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.1 m -60.29 -42.07 94.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 118.747 -0.644 . . . . 0.71 110.64 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -53.19 59.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.182 0.901 . . . . 0.62 109.307 173.093 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.63 -40.74 72.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.041 0.448 . . . . 2.5 110.384 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.66 -40.98 65.92 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.871 0.868 . . . . 1.25 113.286 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -51.6 58.72 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.522 -1.361 . . . . 3.53 109.509 165.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -56.06 -35.51 67.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.56 1.144 . . . . 3.4 111.312 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.614 ' OE2' HD11 ' A' ' 26' ' ' ILE . 9.3 tt0 -63.17 -41.23 99.2 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 124.435 1.094 . . . . 4.38 111.039 173.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -63.56 -40.33 96.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.138 -0.69 . . . . 1.14 109.138 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -37.12 79.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.737 0.415 . . . . 5.54 111.392 168.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.47 -39.08 93.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.998 0.919 . . . . 2.45 109.023 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 p30 173.04 166.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.166 2.186 . . . . 2.4 109.108 159.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -68.59 -15.97 63.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.759 1.022 . . . . 4.2 113.759 -170.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.73 104.5 0.25 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.036 0.935 . . . . 4.16 108.49 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.614 HD11 ' OE2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -64.47 168.33 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 113.964 1.098 . . . . 1.58 113.964 -171.615 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -72.71 148.19 44.92 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.265 1.026 . . . . 1.33 108.535 164.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.94 -36.4 76.97 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 119.071 -1.052 . . . . 4.54 111.131 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -50.7 68.45 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.773 1.169 . . . . 3.81 110.302 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.48 69.47 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.857 0.837 . . . . 2.11 110.673 -176.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.558 ' HA ' HD12 ' A' ' 26' ' ' ILE . 3.5 ttm-85 -81.83 -34.39 30.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.817 -0.552 . . . . 3.05 110.685 -173.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.64 -49.99 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.874 0.869 . . . . 1.03 108.753 163.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.38 -63.1 1.26 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.701 1.2 . . . . 1.97 109.058 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -53.87 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-O 118.21 -0.9 . . . . 0.81 110.715 175.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.11 -35.83 12.14 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 120.114 1.325 . . . . 0.59 111.228 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -68.2 -64.98 0.75 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.144 -0.687 . . . . 1.34 109.144 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -32.1 67.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.52 0.933 . . . . 0.9 113.52 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 -5.09 52.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.095 2.158 . . . . 0.83 110.058 -175.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 p 51.86 53.85 11.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.362 1.465 . . . . 1.97 112.892 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 tp -132.02 -152.68 0.51 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.804 1.242 . . . . 1.29 109.512 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.7 p -150.77 161.45 42.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.197 1.362 . . . . 1.17 110.972 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.37 -33.55 76.1 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.472 -0.299 . . . . 4.15 111.523 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -56.29 -54.66 42.76 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.43 -0.952 . . . . 5.32 108.43 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -57.93 -53.88 53.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.727 0.811 . . . . 3.1 110.265 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.1 mt -59.65 -40.61 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.014 0.526 . . . . 0.78 110.011 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -51.79 66.48 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.373 -0.602 . . . . 3.8 109.373 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.18 -48.51 88.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.142 0.977 . . . . 1.76 110.045 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -55.42 -43.82 75.68 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.694 0.759 . . . . 0.61 110.069 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.45 -40.56 91.61 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 120.789 -1.194 . . . . 1.67 111.0 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.01 -45.74 90.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.078 0.861 . . . . 3.54 110.27 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -42.42 -47.95 5.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.587 1.555 . . . . 2.7 111.818 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -58.82 2.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.881 -1.054 . . . . 5.81 111.398 -164.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.341 0.233 0 C-N-CA 128.901 2.88 . . . . 3.6 117.401 175.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 106.499 -1.667 . . . . 2.59 106.499 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 165.18 24.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.403 0.621 . . . . 1.31 111.776 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -57.74 -53.41 58.49 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.556 -0.905 . . . . 4.46 108.556 172.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.86 -54.72 17.72 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.81 0.844 . . . . 1.51 110.042 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.524 ' NE2' ' CD1' ' A' ' 40' ' ' LEU . 3.1 mt-30 -53.95 -52.41 60.72 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.252 0.549 . . . . 2.8 109.617 -175.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -56.43 -49.41 74.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.381 -0.819 . . . . 0.77 110.814 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.08 69.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.522 1.055 . . . . 0.64 110.314 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.38 -48.49 76.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.604 -0.887 . . . . 2.75 108.604 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.08 -42.31 98.27 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.595 -0.691 . . . . 1.43 112.61 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -45.2 69.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.006 1.322 . . . . 4.17 111.503 168.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -51.71 63.81 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.722 -0.844 . . . . 4.43 108.722 169.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.13 -33.97 67.91 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.288 0.635 . . . . 3.63 110.237 -171.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.22 -24.39 67.86 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.921 -0.487 . . . . 1.18 111.407 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -83.98 -21.02 31.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.313 0.645 . . . . 3.17 111.369 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -54.9 4.47 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.731 -1.581 . . . . 2.76 106.731 -175.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -137.66 135.88 36.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.976 1.31 . . . . 2.19 108.914 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.46 -39.05 62.77 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.63 -0.669 . . . . 4.97 110.506 175.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -128.45 123.77 34.53 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 104.357 -2.46 . . . . 3.09 104.357 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -70.65 149.11 10.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 120.825 1.648 . . . . 1.49 112.123 177.489 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -59.49 144.63 46.66 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.234 -1.348 . . . . 0.91 108.898 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -53.1 -42.74 66.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.273 0.942 . . . . 4.11 111.555 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.86 16.2 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.945 -0.761 . . . . 4.63 108.945 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -58.74 -35.05 72.1 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.356 -0.238 . . . . 3.45 110.356 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -73.22 -40.04 65.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.856 -0.592 . . . . 2.4 111.426 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.42 -45.74 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 119.048 0.84 . . . . 1.05 109.025 171.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -63.27 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.556 1.143 . . . . 2.22 108.288 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.81 -53.18 40.53 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 124.099 0.96 . . . . 1.22 110.394 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.0 -38.73 17.72 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.865 -1.147 . . . . 0.49 110.353 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -71.02 -70.72 0.29 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.596 0.236 . . . . 1.33 110.677 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.32 80.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.78 0.832 . . . . 0.84 113.017 -170.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.45 -4.12 59.12 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.699 2.4 . . . . 1.15 109.905 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 p 52.01 63.65 2.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.677 1.591 . . . . 2.54 113.814 173.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -139.75 -175.71 4.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.105 1.362 . . . . 1.74 109.505 171.048 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 100.0 p -110.53 161.54 15.6 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 119.308 0.958 . . . . 1.17 111.695 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.88 -43.53 98.65 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.411 -0.589 . . . . 3.41 109.411 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -47.08 -58.12 4.35 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 123.991 0.917 . . . . 7.1 110.244 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -58.96 -60.48 3.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.862 -0.792 . . . . 4.38 108.862 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.08 -46.58 88.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 120.769 0.319 . . . . 0.8 110.672 -169.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -53.41 -51.73 61.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.99 0.916 . . . . 3.58 109.29 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.22 -51.37 73.34 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 120.253 -0.579 . . . . 1.7 109.879 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -51.12 -53.3 35.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.151 -0.928 . . . . 0.82 109.844 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -58.76 -39.05 79.86 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.041 0.837 . . . . 1.16 111.295 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -47.3 86.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.353 -0.61 . . . . 4.16 109.353 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -53.98 47.74 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 125.987 1.715 . . . . 3.28 111.4 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.29 -23.93 62.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 126.279 1.832 . . . . 6.17 113.083 -171.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 . . . . . 0 CA--C 1.53 0.21 0 O-C-N 121.908 -0.495 . . . . 2.93 111.377 167.846 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 41.0 mmm . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 107.239 -1.393 . . . . 30.14 107.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -64.45 162.19 15.67 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.926 0.766 . . . . 25.25 109.665 171.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 t -161.49 179.68 8.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.122 1.369 . . . . 22.44 107.917 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 166.08 -20.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.631 1.972 . . . . 22.57 112.081 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 34.29 89.6 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.827 2.051 . . . . 22.78 114.969 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.6 p 50.4 93.38 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.55 1.54 . . . . 13.66 113.726 159.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -75.59 -35.48 60.56 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.621 -0.718 . . . . 14.78 110.291 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -119.58 -178.78 3.7 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 128.904 2.882 . . . . 6.78 106.469 173.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.402 ' O ' HD13 ' A' ' 40' ' ' LEU 0.262 1.2 p 71.62 150.67 0.1 Allowed 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 126.92 2.088 . . . . 2.92 114.768 175.256 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -143.65 162.54 35.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.545 1.138 . . . . 2.43 108.67 -166.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.08 169.94 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.257 1.823 . . . . 1.25 108.276 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -54.67 -50.29 68.58 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.274 -0.639 . . . . 5.23 109.274 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.91 -56.95 13.95 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.55 0.74 . . . . 2.11 109.785 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.87 -52.83 59.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.574 0.702 . . . . 1.48 109.671 -175.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 m -58.02 -39.04 77.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 118.092 -0.956 . . . . 0.59 110.663 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -50.04 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.519 1.509 . . . . 0.71 109.377 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.45 -45.0 89.44 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.423 0.63 . . . . 3.73 109.971 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.76 -47.98 78.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.562 0.745 . . . . 1.54 111.372 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.05 -48.97 78.48 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 3.71 111.417 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -7.62 49.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.419 0.896 . . . . 3.97 113.419 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -87.39 -39.92 14.86 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 122.195 0.998 . . . . 3.98 109.3 163.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.18 -44.3 95.79 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.756 -0.59 . . . . 1.27 110.394 -172.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -17.38 64.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.93 -0.708 . . . . 4.49 112.111 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -54.82 5.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.708 -1.219 . . . . 3.38 107.708 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -144.18 88.16 1.94 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.583 1.553 . . . . 2.56 109.251 -168.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -55.96 -24.13 36.5 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.598 -0.689 . . . . 5.3 111.396 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.19 109.8 15.85 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.457 1.903 . . . . 2.45 106.021 160.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -73.74 156.5 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.444 0.64 . . . . 1.88 109.421 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.13 147.2 53.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.069 -1.456 . . . . 1.04 107.069 167.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -61.11 -38.63 86.99 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 118.355 -1.338 . . . . 3.73 110.222 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -52.46 -55.45 21.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.967 0.349 . . . . 6.15 110.329 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -64.65 -41.53 96.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.399 -0.52 . . . . 1.96 110.039 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HG3' HD12 ' A' ' 26' ' ' ILE . 2.2 ttp-105 -62.49 -41.03 98.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.735 -0.603 . . . . 4.89 109.807 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.89 -49.17 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 118.544 0.611 . . . . 0.97 109.777 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -53.47 -63.56 1.11 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.961 0.905 . . . . 1.91 109.102 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -49.26 -53.33 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 123.636 0.774 . . . . 1.09 109.941 174.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.88 -27.31 51.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.972 -1.08 . . . . 0.98 112.23 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -80.89 -62.24 1.73 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.722 0.809 . . . . 1.38 109.994 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.81 58.44 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.987 0.915 . . . . 0.62 111.951 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -43.39 95.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.821 -1.548 . . . . 1.18 106.821 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m 74.58 72.95 0.11 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.683 2.393 . . . . 2.49 111.545 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.451 HD11 ' HG3' ' A' ' 44' ' ' GLN . 30.9 tp -152.72 139.55 19.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 106.01 -1.848 . . . . 1.89 106.01 166.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 154.63 41.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.465 0.913 . . . . 0.97 113.465 -159.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.64 -44.04 37.05 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.605 1.162 . . . . 3.37 110.783 172.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -50.06 73.94 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.831 1.252 . . . . 7.94 108.684 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.451 ' HG3' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -62.23 -54.18 44.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.824 -1.176 . . . . 3.42 107.824 -173.01 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mt -61.48 -39.37 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 118.586 -0.721 . . . . 0.88 110.447 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -51.53 -58.61 5.81 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 118.855 -1.138 . . . . 3.19 109.43 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.56 -42.62 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 118.461 0.573 . . . . 2.03 112.219 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.83 -52.37 66.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.454 1.101 . . . . 0.65 108.719 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.81 -39.41 90.86 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.664 -0.648 . . . . 1.59 110.643 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.93 -43.61 98.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.156 0.982 . . . . 4.36 110.005 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -52.98 61.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.727 1.211 . . . . 2.71 108.808 177.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' A' ' 52' ' ' ARG . 3.0 tpt180 -47.63 -45.03 27.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.098 1.359 . . . . 4.23 112.117 -165.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -29.92 -49.85 0.11 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.698 1.599 . . . . 2.98 112.678 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -122.09 37.67 4.32 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.668 1.187 . . . . 6.26 109.233 -172.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -82.85 46.22 1.07 Allowed 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.128 -1.608 . . . . 5.39 112.672 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.5 m 33.95 46.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 130.415 3.486 . . . . 5.39 113.67 160.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -175.22 -51.19 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 128.006 2.523 . . . . 6.29 105.331 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -85.53 45.62 1.21 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.169 -0.678 . . . . 8.51 109.169 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -145.33 -75.3 0.22 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.602 1.161 . . . . 7.0 109.516 -162.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -87.48 67.05 9.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.337 0.589 . . . . 9.67 111.217 -159.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -72.0 75.31 0.92 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.147 0.975 . . . . 11.0 108.975 169.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 tt -50.88 108.3 0.23 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.441 1.896 . . . . 13.87 110.014 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t0 48.48 45.99 20.8 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 123.64 1.686 . . . . 18.2 109.416 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.6 m 58.08 17.8 4.74 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 127.377 2.271 . . . . 17.81 114.91 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.8 p -77.39 150.45 79.87 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 119.195 0.907 . . . . 17.06 109.597 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.6 80.34 2.8 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 122.259 1.973 . . . . 18.3 109.331 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.87 -26.26 46.31 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 122.808 0.443 . . . . 18.97 111.436 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 p80 . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 127.141 2.176 . . . . 21.88 112.103 173.562 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 107.669 -1.234 . . . . 30.9 107.669 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' A' ' 5' ' ' ARG . 12.7 t0 -66.34 162.48 20.2 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.739 0.78 . . . . 25.85 109.49 164.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.5 p -58.49 71.88 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 128.87 2.868 . . . . 21.58 110.461 165.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -64.28 73.34 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.823 1.649 . . . . 23.08 110.84 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 88.04 166.55 0.06 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.159 2.584 . . . . 23.41 107.858 -165.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p 52.63 93.54 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.918 2.087 . . . . 14.78 112.16 -177.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' A' ' 0' ' ' ASP . 0.1 OUTLIER -92.01 164.67 13.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.89 -1.152 . . . . 17.28 107.89 168.805 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.29 164.32 16.2 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.3 -0.63 . . . . 8.5 109.3 173.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.8 p -73.86 179.08 4.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.868 1.267 . . . . 3.6 110.904 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 85.64 146.0 0.06 Allowed 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 130.925 3.69 . . . . 2.64 112.838 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.6 164.59 15.3 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.572 -173.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.71 -48.66 78.28 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.492 -0.929 . . . . 5.09 108.492 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -47.57 -54.23 12.35 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.767 0.827 . . . . 1.88 109.932 170.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.58 -53.26 54.25 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 123.3 0.64 . . . . 1.43 110.36 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -58.15 -45.34 87.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 118.119 -0.943 . . . . 0.59 110.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -50.55 70.67 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.744 1.156 . . . . 0.63 109.856 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.12 -52.49 63.1 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.653 0.781 . . . . 3.67 109.404 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.88 -38.27 78.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.632 1.573 . . . . 1.27 112.71 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.72 -49.94 54.73 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.707 -1.96 . . . . 2.88 105.707 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -54.77 -48.64 72.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.629 0.772 . . . . 4.85 109.948 172.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -39.43 72.38 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.445 -0.576 . . . . 3.53 109.445 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -63.68 -39.84 95.33 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.112 -1.618 . . . . 1.32 110.67 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.44 -33.25 71.04 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.036 -0.415 . . . . 3.06 110.473 171.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -52.37 59.69 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 2.27 110.54 172.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -143.52 121.49 12.06 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.883 1.273 . . . . 2.12 109.616 -162.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -63.74 -28.96 70.24 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.869 -1.144 . . . . 4.98 111.375 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -143.26 123.77 13.99 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.418 -1.697 . . . . 2.34 106.418 167.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.4 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -68.69 152.07 9.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.106 0.479 . . . . 1.72 110.404 -178.842 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.77 144.38 56.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.361 -1.348 . . . . 1.03 107.361 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -54.88 -41.66 71.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.898 1.226 . . . . 4.22 110.673 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -63.21 -50.69 69.27 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.827 0.74 . . . . 7.72 110.998 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -57.58 -42.13 82.52 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 121.366 0.603 . . . . 1.87 109.713 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' HG3' HD12 ' A' ' 26' ' ' ILE . 14.8 ttm180 -65.28 -39.97 93.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 121.568 -0.707 . . . . 2.62 110.043 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.65 -49.72 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 123.288 0.635 . . . . 1.03 109.84 171.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -63.09 1.26 Allowed 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.218 -1.03 . . . . 2.03 108.218 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -50.23 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 C-N-CA 124.403 1.081 . . . . 0.79 110.358 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.6 -47.63 39.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 120.97 -1.081 . . . . 0.49 109.569 175.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -63.73 -58.27 7.4 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.184 -0.462 . . . . 1.35 110.739 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.24 -53.5 10.72 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.836 0.827 . . . . 0.83 112.08 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -22.96 67.13 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.463 1.905 . . . . 0.74 108.943 -175.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.2 m 80.81 57.67 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.524 1.93 . . . . 1.86 110.765 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tp -139.57 -177.65 5.04 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.139 1.775 . . . . 1.59 107.49 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.2 p -110.98 158.33 18.9 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 121.17 1.804 . . . . 1.15 111.537 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -52.13 61.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.108 -1.071 . . . . 3.4 108.108 175.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -49.03 -61.88 1.83 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.116 1.366 . . . . 5.56 111.503 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.23 -47.49 83.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.52 -0.548 . . . . 3.55 109.52 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.24 -46.57 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 119.189 -0.434 . . . . 0.73 109.89 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -53.4 42.18 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.579 1.081 . . . . 3.26 109.46 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.6 -41.97 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.685 0.394 . . . . 1.73 111.098 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -61.13 -48.62 80.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.978 0.511 . . . . 0.7 110.153 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.73 -28.53 67.72 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.286 -0.884 . . . . 1.21 110.765 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.28 -44.29 96.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.836 -0.54 . . . . 3.59 110.366 168.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.28 -45.59 46.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.253 1.021 . . . . 2.56 110.047 -171.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -59.82 3.25 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.012 2.125 . . . . 5.17 111.005 -173.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 31.42 42.7 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.614 1.966 . . . . 4.26 116.003 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.5 ptp 35.48 57.4 0.87 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.601 1.161 . . . . 12.09 112.022 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -72.88 26.57 0.06 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.284 1.433 . . . . 6.81 113.207 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 m 33.88 50.52 0.33 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 127.556 2.342 . . . . 8.88 113.244 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -168.05 -35.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 113.47 -1.695 . . . . 8.76 107.629 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -113.0 60.77 0.64 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 105.207 -2.146 . . . . 11.0 105.207 158.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -175.74 -52.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 127.028 2.131 . . . . 11.26 106.337 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.92 174.0 11.3 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 103.453 -2.795 . . . . 14.42 103.453 158.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.0 m 53.74 65.85 1.4 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.179 1.391 . . . . 14.73 112.149 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.3 tp -70.17 147.17 50.17 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.862 -1.162 . . . . 21.07 107.862 161.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -87.18 -134.26 0.08 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.435 1.494 . . . . 22.66 107.35 170.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.7 t -124.63 116.68 22.79 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 105.102 -2.184 . . . . 25.97 105.102 165.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.419 ' HB3' ' HD3' ' A' ' 66' ' ' PRO 0.276 21.1 t -158.11 -69.71 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 115.398 1.629 . . . . 28.4 115.398 -158.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 65' ' ' SER . 92.7 Cg_endo -71.11 69.68 2.39 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 124.878 3.719 . . . . 28.41 110.945 -177.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 46.19 93.86 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.11 2.164 . . . . 35.38 110.578 -164.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 m80 . . . . . 0 N--CA 1.436 -1.158 0 C-N-CA 127.189 2.196 . . . . 33.38 111.624 -159.882 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 106.45 -1.685 . . . . 29.45 106.45 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ASP . . . . . 0.434 ' OD2' ' NZ ' ' A' ' 2' ' ' LYS . 5.5 p-10 -167.75 34.72 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 O-C-N 123.872 0.732 . . . . 23.29 109.512 -158.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m -49.74 109.2 0.26 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.133 1.773 . . . . 20.08 114.042 -166.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' NZ ' ' OD2' ' A' ' 0' ' ' ASP . 1.3 mppt? -68.21 77.19 0.25 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.079 -1.082 . . . . 20.32 108.079 165.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -72.96 60.13 0.52 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.048 1.339 . . . . 19.45 111.813 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.7 p -153.85 94.07 1.72 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.746 1.619 . . . . 13.23 106.813 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -93.92 127.62 39.78 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.424 -0.954 . . . . 10.68 108.424 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.27 156.23 41.8 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 105.498 -2.038 . . . . 6.48 105.498 176.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.4 p -101.21 -177.81 3.56 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.625 1.17 . . . . 3.25 110.773 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.82 175.25 9.76 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.319 1.847 . . . . 2.11 106.112 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.42 163.37 30.63 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.635 1.174 . . . . 1.31 108.967 172.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -56.68 -54.96 40.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.748 -0.834 . . . . 5.69 108.748 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -49.88 -55.7 13.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.138 0.575 . . . . 1.52 110.106 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG2' ' CD2' ' A' ' 38' ' ' LEU . 20.8 mt-30 -56.97 -52.28 65.87 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 110.059 -0.349 . . . . 2.45 110.059 -173.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -51.05 -50.23 59.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.391 0.677 . . . . 0.74 111.627 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -49.81 75.96 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.813 0.733 . . . . 0.85 109.245 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -35.53 79.06 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 121.852 -0.53 . . . . 2.51 110.037 -175.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.76 -36.83 84.35 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.254 0.621 . . . . 1.41 111.745 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -50.49 73.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.099 0.559 . . . . 2.53 110.139 171.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -44.9 70.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.784 -0.45 . . . . 3.91 109.784 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.16 -40.0 92.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.255 -0.278 . . . . 3.7 110.915 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.155 -0.966 . . . . 1.27 109.728 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.29 -17.63 64.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.93 -0.557 . . . . 5.96 112.448 173.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.53 -54.42 5.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.367 0.985 . . . . 2.83 108.527 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -138.97 119.3 13.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.28 1.432 . . . . 2.13 110.182 -164.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -60.31 -34.21 73.46 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.573 -0.704 . . . . 5.48 110.758 171.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -142.77 119.57 11.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.183 2.193 . . . . 3.18 106.154 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.504 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -65.4 162.92 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 118.42 0.554 . . . . 1.41 111.926 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -63.49 146.83 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.464 -1.31 . . . . 0.98 107.464 166.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -58.8 -43.88 90.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.012 0.824 . . . . 6.21 110.619 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -57.5 -51.68 68.46 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.86 -0.422 . . . . 5.41 109.86 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.89 -41.34 97.78 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.02 -0.733 . . . . 1.71 109.02 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.504 ' HG3' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.31 -44.29 92.06 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 121.724 -0.61 . . . . 2.71 111.211 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.41 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 118.443 0.565 . . . . 1.14 109.823 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.47 -63.42 1.15 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.718 0.77 . . . . 2.31 109.393 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.559 HG12 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.59 -52.77 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 125.118 1.367 . . . . 0.93 110.114 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.65 -49.35 14.48 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.35 -0.844 . . . . 0.59 109.856 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.36 -55.7 19.38 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 123.421 0.45 . . . . 2.05 111.19 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.45 22.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 0.71 111.822 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD12 HG12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -67.93 -30.07 69.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.559 1.943 . . . . 1.45 108.824 -177.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 90.79 48.03 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.31 1.844 . . . . 1.55 111.849 163.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.18 -177.82 4.3 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.031 -1.47 . . . . 1.46 107.031 170.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.1 p -100.43 156.74 17.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.519 1.963 . . . . 1.14 110.728 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -53.52 -48.32 69.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.122 0.969 . . . . 3.41 108.996 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.4 mmt-85 -59.7 -54.12 50.08 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 125.291 1.437 . . . . 7.69 110.829 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -61.6 -38.89 89.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 121.798 -0.564 . . . . 2.89 110.554 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.5 mt -57.54 -50.78 76.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.402 0.681 . . . . 0.78 109.794 172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -51.72 -49.1 63.16 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.972 -0.455 . . . . 3.68 111.011 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 118.108 0.413 . . . . 1.74 111.203 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -56.2 -49.91 72.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.55 0.74 . . . . 0.62 109.488 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -61.62 -47.39 85.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.764 -0.458 . . . . 1.42 109.764 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -53.59 -38.76 64.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.434 0.161 . . . . 3.55 111.434 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -66.18 0.55 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.853 0.861 . . . . 2.22 109.177 168.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -51.19 -35.97 38.99 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.036 0.934 . . . . 4.37 113.358 -172.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -50.62 -47.1 58.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.914 -1.041 . . . . 3.62 111.081 173.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.0 mtm -147.37 81.68 1.53 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.663 1.585 . . . . 4.94 109.7 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . 0.321 78.0 tttt -91.76 -106.36 0.1 Allowed 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.975 1.472 . . . . 5.5 114.975 -168.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -132.76 62.26 1.66 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 123.531 1.634 . . . . 6.66 108.005 168.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -152.53 -36.07 0.12 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.058 -2.337 . . . . 6.05 107.289 162.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -97.68 56.81 1.31 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.653 -1.24 . . . . 7.14 107.653 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.94 -71.52 0.11 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.532 1.133 . . . . 10.55 109.428 -158.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 66.15 54.01 1.01 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.533 1.133 . . . . 12.98 108.992 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.282 3.8 t 51.95 -176.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.869 2.067 . . . . 16.2 113.591 -169.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.3 tp -67.88 134.97 51.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.161 -0.927 . . . . 21.28 110.513 -172.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -85.48 -133.79 0.06 Allowed 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 126.716 2.006 . . . . 22.18 107.761 171.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.7 m -140.8 45.36 1.8 Allowed 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.757 -1.214 . . . . 25.68 108.131 160.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m 79.85 148.25 0.11 Allowed Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 126.417 1.887 . . . . 26.9 108.695 -159.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -74.31 174.16 12.98 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.263 1.975 . . . . 26.65 109.398 172.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -70.59 -26.3 63.45 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.925 0.49 . . . . 30.28 111.318 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 105.696 -1.964 . . . . 32.42 105.696 176.857 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 107.379 -1.341 . . . . 24.7 107.379 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.73 156.56 38.81 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.582 0.551 . . . . 19.35 110.39 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t -84.54 61.13 6.49 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.451 -1.314 . . . . 16.12 107.451 173.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.34 30.09 0.44 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.381 2.272 . . . . 17.99 114.854 -176.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.06 54.49 8.84 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.248 0.931 . . . . 19.21 110.568 -168.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.284 4.6 p 81.48 104.83 0.06 Allowed 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 130.23 3.412 . . . . 11.36 112.824 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.84 141.78 31.78 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.511 -0.743 . . . . 9.73 109.682 159.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -77.66 145.0 36.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.23 -0.656 . . . . 6.72 109.23 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.8 p -91.23 132.34 36.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.274 -1.751 . . . . 2.57 106.274 158.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -73.69 144.03 45.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.444 -0.576 . . . . 2.27 109.444 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 168.64 13.09 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.003 0.521 . . . . 1.09 109.964 170.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.85 -51.33 70.47 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.306 -0.628 . . . . 5.14 109.306 171.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.64 -57.03 9.2 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 108.81 -0.811 . . . . 1.74 108.81 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.464 HE22 HD13 ' A' ' 40' ' ' LEU . 3.9 tt0 -53.83 -55.16 29.15 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 122.841 0.456 . . . . 1.59 110.197 -175.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 83.5 m -54.61 -40.91 69.37 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.276 0.63 . . . . 0.72 110.927 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -50.74 72.94 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.1 0.864 . . . . 0.74 109.169 175.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.05 -40.81 95.05 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.421 -0.511 . . . . 2.61 110.791 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.4 -37.27 85.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.795 0.838 . . . . 1.86 111.98 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -51.55 68.77 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 2.71 109.576 171.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.39 -35.58 63.02 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.086 -1.009 . . . . 5.55 110.893 172.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.31 -39.66 94.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.293 1.437 . . . . 4.18 110.573 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -47.94 79.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 106.604 -1.628 . . . . 1.56 106.604 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.2 -33.98 69.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.618 0.367 . . . . 3.41 111.22 172.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -56.59 14.27 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.845 0.748 . . . . 2.52 109.426 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -152.81 136.35 15.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.165 -1.421 . . . . 2.68 107.165 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -55.66 -31.04 62.03 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.697 0.226 . . . . 4.88 111.585 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -144.6 117.6 8.84 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 106.48 -1.674 . . . . 3.4 106.48 163.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.499 HD13 HG21 ' A' ' 26' ' ' ILE 0.268 0.0 OUTLIER -64.21 149.94 10.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 114.682 1.364 . . . . 1.85 114.682 -178.216 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -56.63 143.79 34.63 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 113.462 -1.699 . . . . 1.14 109.28 167.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -59.57 -38.46 81.21 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.846 -0.742 . . . . 4.04 111.13 -170.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -47.96 83.98 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.876 -0.73 . . . . 3.9 109.63 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -31.56 70.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.526 0.679 . . . . 1.88 109.716 -176.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HG3' HD12 ' A' ' 26' ' ' ILE . 1.8 ttm105 -76.94 -36.81 56.28 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.918 -0.489 . . . . 2.34 111.041 -175.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mt -55.72 -51.84 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.139 -0.689 . . . . 0.96 109.139 165.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.55 -63.37 1.17 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.529 1.532 . . . . 2.28 109.845 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.3 -48.25 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 123.788 0.835 . . . . 1.16 110.387 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.09 56.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.805 1.184 . . . . 0.5 110.66 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -64.66 -51.43 62.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.616 0.246 . . . . 1.48 110.36 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -56.42 4.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.329 1.061 . . . . 0.64 112.019 -175.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.23 -20.61 66.16 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.606 2.762 . . . . 1.0 109.177 -176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 m 77.65 61.13 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.262 1.825 . . . . 2.06 110.453 166.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 HE22 ' A' ' 12' ' ' GLN . 4.2 tp -142.78 -148.18 0.23 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.194 1.398 . . . . 1.52 108.17 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -145.7 148.0 32.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 119.896 1.225 . . . . 1.04 110.264 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.86 -46.93 43.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.744 2.018 . . . . 3.35 112.46 -173.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -71.71 -45.37 62.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.776 0.831 . . . . 5.88 110.246 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.58 -40.27 82.68 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.695 -0.628 . . . . 2.94 110.864 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.6 mt -55.8 -47.14 79.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.121 0.569 . . . . 0.91 109.93 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -54.08 -48.64 70.44 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.781 -0.574 . . . . 4.42 109.988 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.03 -47.02 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 118.627 -0.701 . . . . 2.02 110.712 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.29 -50.39 67.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.673 1.124 . . . . 0.82 109.685 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.6 -50.11 68.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.452 0.701 . . . . 1.46 110.508 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -55.22 -45.42 75.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.847 1.259 . . . . 3.38 110.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -61.06 2.5 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.101 1.36 . . . . 2.58 110.103 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -56.36 -47.04 79.68 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.059 0.944 . . . . 4.78 110.819 -172.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -77.42 9.24 3.38 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.547 0.943 . . . . 4.47 113.547 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.9 ttt -144.06 31.09 1.27 Allowed 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.305 1.042 . . . . 6.38 108.809 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -84.19 46.41 1.2 Allowed 'General case' 0 C--O 1.236 0.352 0 O-C-N 120.681 -1.262 . . . . 5.76 113.407 -163.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.4 t 54.06 37.49 27.02 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 124.556 1.142 . . . . 6.82 110.063 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -151.71 -38.62 0.12 Allowed 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.568 1.147 . . . . 5.29 109.679 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.54 50.12 0.81 Allowed 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 121.133 -0.98 . . . . 8.05 108.479 161.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -170.11 -89.6 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.019 1.728 . . . . 9.73 106.608 -167.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -88.71 170.04 11.14 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.105 0.962 . . . . 12.09 110.637 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 t -166.24 158.21 13.93 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.702 1.601 . . . . 11.76 108.209 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.77 3.06 3.48 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.098 1.359 . . . . 15.61 111.198 158.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -175.85 75.51 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.814 2.446 . . . . 15.23 109.119 174.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 t 48.73 27.63 1.6 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.302 1.041 . . . . 13.81 113.087 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m 156.58 159.06 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 129.623 3.169 . . . . 16.46 106.068 -163.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -80.63 -151.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.465 2.776 . . . . 17.93 106.81 161.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -83.7 138.16 33.43 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.056 -2.201 . . . . 22.24 105.056 159.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 129.165 2.986 . . . . 22.66 108.866 -159.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 40.3 tpp . . . . . 0 N--CA 1.472 0.64 0 N-CA-C 106.025 -1.843 . . . . 32.03 106.025 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -146.8 164.81 31.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.106 1.362 . . . . 28.92 107.409 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t 61.71 -160.23 0.31 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.132 0.973 . . . . 25.25 110.868 167.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.89 33.96 21.1 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.074 1.35 . . . . 24.79 111.357 174.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -76.85 78.11 3.44 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.217 0.607 . . . . 21.78 109.701 -173.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.9 p 52.05 94.17 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.13 1.772 . . . . 15.79 113.257 164.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -45.6 -36.96 5.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.728 1.211 . . . . 12.46 112.025 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.18 -173.44 3.63 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.171 -1.048 . . . . 8.6 108.171 -173.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -73.56 -173.88 1.56 Allowed 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 126.84 2.056 . . . . 3.7 109.754 173.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 82.06 175.45 0.09 Allowed 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 130.458 3.503 . . . . 2.36 110.201 -172.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 HE21 ' A' ' 12' ' ' GLN . 0.7 OUTLIER -148.08 165.77 29.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.77 1.628 . . . . 1.34 108.258 -178.637 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -56.03 -51.29 68.34 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.019 -0.734 . . . . 7.68 109.019 171.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -50.92 -54.43 24.19 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.21 0.604 . . . . 2.01 110.289 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.737 ' HG2' HD22 ' A' ' 38' ' ' LEU . 15.4 mt-30 -57.62 -52.06 66.95 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 109.567 -0.531 . . . . 1.74 109.567 -173.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 m -52.06 -48.23 64.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.571 -0.741 . . . . 1.11 110.237 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -47.41 80.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.465 -0.779 . . . . 1.35 110.654 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.82 -44.54 92.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.709 1.14 . . . . 3.14 109.828 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD22 ' CE3' ' A' ' 48' ' ' TRP . 2.7 mt -54.65 -46.15 73.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.919 0.39 . . . . 1.4 111.885 176.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -46.06 85.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.797 0.839 . . . . 2.42 110.801 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -53.94 -49.81 67.85 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.147 -0.971 . . . . 3.37 109.289 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.61 -38.99 79.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.67 1.188 . . . . 3.39 110.758 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.62 -43.11 97.82 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.795 -0.565 . . . . 1.05 110.883 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -62.35 -32.05 72.78 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.866 -0.522 . . . . 2.88 110.49 173.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -47.81 79.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.699 -0.852 . . . . 2.45 108.699 176.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -165.66 154.01 11.3 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 122.763 0.425 . . . . 3.2 110.645 -172.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -82.41 -19.42 39.07 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.863 0.465 . . . . 4.22 111.442 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -137.93 125.17 21.68 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.164 1.785 . . . . 2.67 106.568 172.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.521 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -81.1 155.04 4.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 118.619 0.645 . . . . 1.77 109.834 178.58 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.29 146.75 53.81 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 106.744 -1.576 . . . . 1.15 106.744 169.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -63.19 -35.98 82.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 117.97 -1.492 . . . . 3.81 110.837 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -55.74 16.63 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.049 -0.722 . . . . 4.9 109.049 174.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -65.68 -39.48 91.35 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.562 -0.455 . . . . 2.2 110.483 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.521 ' HG3' HD12 ' A' ' 26' ' ' ILE . 22.3 ttm105 -64.25 -44.35 92.06 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 120.483 -1.386 . . . . 2.81 110.534 -172.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.44 -47.16 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.759 -0.46 . . . . 0.94 109.759 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.52 -62.85 1.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.769 1.628 . . . . 1.73 109.316 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -64.84 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 C-N-CA 126.698 1.999 . . . . 1.7 107.725 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.77 -45.81 14.84 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 119.8 1.182 . . . . 0.66 110.991 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -64.75 -52.54 56.45 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.653 -1.158 . . . . 1.5 110.138 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.43 75.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.821 0.448 . . . . 0.85 111.999 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.737 HD22 ' HG2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -81.74 -27.5 33.82 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 106.749 -1.574 . . . . 1.46 106.749 -163.149 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 79.97 44.81 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.867 2.067 . . . . 2.15 109.021 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.7 tp -156.66 141.49 17.02 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 108.089 -1.078 . . . . 1.71 108.089 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -77.33 155.26 32.1 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.105 0.78 . . . . 1.11 113.105 -159.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -59.1 -39.98 83.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.069 -0.715 . . . . 3.17 109.069 172.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -51.85 -58.58 6.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.108 0.963 . . . . 5.37 110.117 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -54.31 -49.81 68.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.874 0.47 . . . . 3.4 110.69 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.45 -48.19 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.833 0.853 . . . . 0.79 110.879 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -50.86 -50.97 55.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.897 0.879 . . . . 3.3 109.277 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mp -62.43 -54.98 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-O 118.203 -0.903 . . . . 1.51 109.555 173.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.43 ' CE3' HD22 ' A' ' 16' ' ' LEU . 46.0 t90 -47.89 -49.43 29.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 119.806 1.185 . . . . 0.85 110.572 -171.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 26' ' ' ILE . 16.8 m-85 -64.42 -40.18 95.26 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.546 0.738 . . . . 1.21 112.0 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -62.17 -42.1 98.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.45 1.1 . . . . 4.12 110.954 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.279 2.232 . . . . 2.98 109.605 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -46.61 -54.54 9.28 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.473 1.909 . . . . 4.0 111.278 -167.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.88 -18.22 4.63 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.875 1.065 . . . . 2.94 113.875 -175.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.7 ptm -141.06 31.19 1.78 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.373 0.669 . . . . 5.28 111.106 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -80.25 45.93 0.79 Allowed 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.266 -0.897 . . . . 5.16 112.794 -172.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m 34.12 46.6 0.16 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 127.939 2.495 . . . . 6.91 114.474 172.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.65 -51.98 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 105.246 -2.131 . . . . 7.92 105.246 -178.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -81.43 49.29 1.27 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 107.883 -1.154 . . . . 6.54 107.883 159.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -163.94 -96.02 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.866 2.466 . . . . 7.67 104.839 -175.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.3 99.31 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.633 1.573 . . . . 10.38 108.819 -178.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -66.58 78.52 0.11 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.152 0.977 . . . . 11.91 112.37 -169.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.0 tp -163.24 160.02 23.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 127.383 2.273 . . . . 13.8 106.936 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -164.8 120.65 1.45 Allowed 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 103.224 -2.88 . . . . 16.1 103.224 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 p 48.56 -133.79 1.36 Allowed 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 112.761 0.652 . . . . 18.45 112.761 -159.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.545 ' H ' ' HD2' ' A' ' 66' ' ' PRO . 4.2 m -157.43 -48.73 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 117.202 2.297 . . . . 21.06 117.202 -174.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.545 ' HD2' ' H ' ' A' ' 65' ' ' SER . 98.9 Cg_endo -80.84 75.97 4.76 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.727 2.285 . . . . 24.57 110.195 -164.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.74 -26.29 61.61 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.341 1.056 . . . . 26.93 111.542 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 CA--C 1.536 0.407 0 C-N-CA 128.746 2.818 . . . . 32.7 108.47 -176.713 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 108.619 -0.882 . . . . 24.83 108.619 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -61.36 121.52 12.83 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.372 0.669 . . . . 21.39 110.28 -178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.6 m -74.1 5.71 4.11 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.228 0.825 . . . . 19.89 113.228 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -54.82 -69.57 0.13 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.164 -1.421 . . . . 17.77 107.164 158.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 33.29 73.0 0.07 Allowed 'General case' 0 C--N 1.342 0.272 0 C-N-CA 126.89 2.076 . . . . 21.96 111.738 172.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.8 p 44.92 93.31 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 126.639 1.976 . . . . 13.34 111.922 -175.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -103.95 72.06 1.08 Allowed 'General case' 0 C--O 1.227 -0.096 0 CA-C-O 121.85 0.833 . . . . 13.18 108.956 175.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -179.51 0.55 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.235 1.414 . . . . 7.4 110.083 172.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.04 172.57 11.45 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.182 1.793 . . . . 3.24 111.681 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -123.73 145.6 48.89 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 104.462 -2.421 . . . . 2.29 104.462 159.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.99 169.83 12.33 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.766 1.626 . . . . 1.57 107.489 170.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -48.96 79.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.143 -1.058 . . . . 5.87 108.143 173.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -50.94 -57.29 8.91 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 118.407 0.548 . . . . 1.53 110.378 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.609 ' NE2' HD12 ' A' ' 40' ' ' LEU . 2.3 mt-30 -54.15 -57.71 10.11 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.68 0.752 . . . . 1.77 109.032 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -53.19 -34.18 55.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.465 -1.255 . . . . 0.69 112.62 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -47.92 69.87 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 121.393 1.906 . . . . 0.8 108.601 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.5 tp10 -61.97 -40.06 94.29 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.563 0.697 . . . . 3.09 109.662 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.44 -49.71 75.74 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.094 0.957 . . . . 1.51 111.559 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.9 -57.94 3.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.409 2.284 . . . . 3.99 111.495 173.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -61.87 -44.78 96.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.206 -0.598 . . . . 3.85 111.315 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.78 -37.77 80.01 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-O 121.529 0.68 . . . . 3.89 110.221 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.39 -46.03 88.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.96 -0.462 . . . . 1.16 110.435 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.62 -34.61 69.49 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 110.514 -0.18 . . . . 2.83 110.514 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.87 -51.22 65.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.585 0.754 . . . . 2.59 110.33 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.54 110.99 0.67 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.212 1.005 . . . . 2.25 110.325 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' A' ' 24' ' ' ARG . 12.1 ptt85 -65.61 -10.47 35.95 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.216 1.406 . . . . 4.17 112.19 -173.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -125.18 95.88 4.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 105.635 -1.987 . . . . 2.82 105.635 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.578 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.21 151.01 10.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.278 -0.569 . . . . 1.83 110.688 -171.791 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -62.08 149.02 42.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.886 -1.153 . . . . 1.23 107.886 170.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -54.32 -49.12 70.43 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.816 0.734 . . . . 5.02 109.981 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -52.66 -57.95 8.42 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 108.863 -0.792 . . . . 4.45 108.863 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpt85 -57.33 -36.84 71.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.609 0.568 . . . . 2.32 110.24 -175.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.578 ' HG3' HD12 ' A' ' 26' ' ' ILE . 8.5 ttm180 -71.83 -49.96 33.78 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.726 -0.609 . . . . 3.24 111.261 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.13 -41.78 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 119.488 1.04 . . . . 2.09 109.16 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -63.05 1.27 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.901 1.28 . . . . 1.91 107.569 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.421 ' CD1' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.43 -51.89 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 C-N-CA 122.328 0.251 . . . . 1.25 110.667 -178.677 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.96 -38.81 24.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.142 0.428 . . . . 0.58 110.345 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.85 -68.73 0.46 Allowed 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.272 0.357 . . . . 1.47 110.18 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.36 80.13 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.138 0.975 . . . . 0.72 112.581 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 15' ' ' GLU . 2.4 tt -78.76 -15.07 58.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.522 1.529 . . . . 0.93 109.855 -178.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t 59.76 73.81 0.47 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.448 1.099 . . . . 1.79 109.933 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.609 HD12 ' NE2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -139.79 -149.54 0.29 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 106.582 -1.636 . . . . 1.41 106.582 166.597 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -154.19 165.06 37.44 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 120.741 1.61 . . . . 1.21 110.514 172.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.48 -46.65 66.15 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.531 1.132 . . . . 5.6 112.561 -159.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.73 -40.55 97.55 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.173 -0.677 . . . . 7.15 109.173 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -59.39 -50.66 73.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.923 0.889 . . . . 4.05 109.238 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.61 -45.34 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 0.73 110.552 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.88 -51.36 61.43 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.236 -1.024 . . . . 3.75 108.236 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.2 -46.19 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.656 0.782 . . . . 2.06 111.274 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -58.83 -51.37 70.3 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 118.898 0.772 . . . . 0.65 109.195 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.96 -33.75 76.53 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.542 1.137 . . . . 1.36 111.805 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -61.47 -47.9 83.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.567 0.747 . . . . 4.12 109.603 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.87 -44.44 69.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.127 1.371 . . . . 2.41 108.782 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 tpt85 -49.31 -39.42 31.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.322 2.649 . . . . 4.32 112.413 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -49.75 -29.65 8.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.065 0.946 . . . . 2.97 112.153 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.8 ttp -123.87 49.19 1.77 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.814 1.246 . . . . 6.3 110.688 168.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -117.02 -106.52 0.39 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 105.058 -2.201 . . . . 7.96 105.058 158.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 m -84.62 60.72 6.27 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 122.323 1.059 . . . . 10.06 108.844 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.01 -19.48 0.1 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 126.337 1.855 . . . . 9.82 110.442 162.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -88.86 45.4 1.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.145 -1.057 . . . . 9.44 108.145 161.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -107.96 -63.64 1.3 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.974 2.11 . . . . 9.72 109.239 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -142.23 152.99 43.62 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.339 1.056 . . . . 17.23 108.888 173.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.65 159.94 17.94 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.004 0.922 . . . . 11.55 110.548 -176.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.7 tp -53.59 143.74 19.24 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.411 -0.959 . . . . 17.62 108.411 164.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -154.04 173.9 15.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.961 -1.496 . . . . 18.67 106.961 -170.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.8 t -161.02 -163.89 1.1 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.528 0.731 . . . . 22.62 109.575 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.348 45.9 t 128.63 -72.73 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.234 0 C-N-CA 130.305 3.442 . . . . 26.81 107.911 -172.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.83 63.91 3.97 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.587 2.858 . . . . 26.4 108.821 164.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -68.09 -25.61 65.41 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.2 0.524 . . . . 28.73 109.717 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 104.167 -2.531 . . . . 33.43 104.167 159.245 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 33.5 ttm . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 107.003 -1.48 . . . . 28.85 107.003 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 37.32 42.65 0.32 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.103 1.761 . . . . 23.09 114.743 158.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m -83.27 51.22 1.92 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.873 0.869 . . . . 23.4 110.543 -171.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -168.4 47.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.436 0.694 . . . . 23.26 110.544 -164.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.57 127.97 18.89 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.695 0.798 . . . . 21.74 109.262 174.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.7 p -153.99 106.79 2.87 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 103.968 -2.604 . . . . 14.04 103.968 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.28 149.67 3.86 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.708 1.603 . . . . 10.81 111.122 -168.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -65.01 161.54 18.5 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.844 -0.428 . . . . 6.13 109.844 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.344 0.1 OUTLIER 64.08 135.58 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 127.051 2.14 . . . . 3.59 112.773 -169.459 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -117.07 142.87 46.43 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 108.324 -0.991 . . . . 2.06 108.324 -163.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.48 163.42 23.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.772 0.796 . . . . 1.17 112.224 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -54.51 -47.97 72.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.596 -0.729 . . . . 5.38 109.273 169.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -63.48 -45.65 89.76 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-O 118.858 -0.592 . . . . 2.81 110.168 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.574 ' NE2' HD13 ' A' ' 40' ' ' LEU . 7.1 mt-30 -53.84 -51.04 64.84 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.114 -0.699 . . . . 1.48 109.114 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -59.83 -44.44 94.04 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.251 0.621 . . . . 0.72 111.597 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -47.68 81.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.396 0.998 . . . . 0.8 110.032 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.457 ' HG2' ' HG ' ' A' ' 38' ' ' LEU . 37.7 tp10 -53.92 -48.77 69.85 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 124.365 1.066 . . . . 2.91 108.207 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -42.17 98.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.826 0.85 . . . . 1.22 112.139 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.59 -46.6 78.76 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.88 -1.137 . . . . 2.91 111.452 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -32.29 73.88 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.836 -1.165 . . . . 3.3 110.245 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.58 -37.89 79.71 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 121.327 -0.858 . . . . 3.58 110.451 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.77 94.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.782 -1.192 . . . . 1.74 107.782 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.51 -34.93 73.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 122.016 -0.428 . . . . 2.88 111.297 172.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.9 -44.71 92.18 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.82 0.848 . . . . 2.08 109.736 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -170.45 148.39 3.13 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.598 1.159 . . . . 3.0 109.209 -175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -69.15 -29.94 68.07 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.446 -0.784 . . . . 4.64 111.163 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.47 141.84 28.71 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.457 1.503 . . . . 3.32 107.044 171.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.557 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -87.88 162.02 2.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.547 0.689 . . . . 1.48 112.615 -165.74 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.65 146.2 55.1 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.104 -1.443 . . . . 1.28 107.104 165.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -63.89 -36.05 82.67 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 118.544 -1.263 . . . . 4.55 110.762 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -54.82 -52.17 63.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.322 0.51 . . . . 4.84 110.406 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.66 -45.48 86.56 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.113 -0.699 . . . . 2.23 109.113 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HG3' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -59.31 -40.9 87.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.126 -0.359 . . . . 2.79 110.731 -177.228 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.58 -46.75 94.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 123.287 0.635 . . . . 1.32 110.366 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -63.03 1.28 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.55 -0.907 . . . . 2.31 108.55 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.431 HG23 HD12 ' A' ' 38' ' ' LEU . 1.7 mm -40.14 -67.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 125.835 1.654 . . . . 1.27 110.542 169.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.82 -42.5 7.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.161 -0.962 . . . . 0.99 111.685 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -69.57 -45.7 68.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.67 0.388 . . . . 1.81 111.654 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.99 -51.04 5.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.881 1.324 . . . . 1.11 110.414 -172.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HG ' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -69.37 -14.29 62.83 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 128.227 2.611 . . . . 1.1 109.867 -177.64 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m 66.91 37.36 4.0 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 124.793 1.237 . . . . 1.75 111.603 165.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD13 ' NE2' ' A' ' 12' ' ' GLN . 4.8 tp -117.69 -163.96 0.97 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.649 -0.871 . . . . 1.21 108.649 163.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -144.2 148.82 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.933 1.242 . . . . 1.06 110.826 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -48.56 -49.16 37.6 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 123.596 0.758 . . . . 3.38 112.777 -171.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -56.76 -47.99 78.85 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 123.905 0.882 . . . . 4.92 110.777 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -48.9 79.93 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.291 1.036 . . . . 4.55 108.387 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -64.08 -46.92 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 124.971 1.309 . . . . 0.83 110.355 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -51.79 -53.0 44.75 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.94 -0.763 . . . . 4.6 108.94 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.64 -46.71 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.103 0.561 . . . . 1.61 110.414 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -55.56 -50.53 69.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.156 0.889 . . . . 0.75 109.812 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -56.67 -48.51 77.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.486 -0.561 . . . . 1.34 109.486 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -49.86 -55.01 15.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.035 0.834 . . . . 4.82 109.615 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.37 -46.13 46.76 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 125.906 1.682 . . . . 2.65 111.325 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.62 62.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.497 1.519 . . . . 4.65 110.9 -171.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -34.62 -61.37 0.4 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.461 1.104 . . . . 4.58 111.863 -176.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.4 mtp -120.63 68.06 0.86 Allowed 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.015 -1.105 . . . . 6.42 108.015 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -62.14 -20.91 64.59 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.234 -0.439 . . . . 4.84 110.806 168.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . 0.271 66.4 m 57.68 40.21 26.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 122.393 1.092 . . . . 5.55 112.28 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 -42.18 0.09 Allowed 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 113.244 -1.798 . . . . 5.98 108.396 158.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -81.01 49.06 1.18 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 107.081 -1.452 . . . . 8.84 107.081 162.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 t0 174.69 -122.65 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.759 2.823 . . . . 7.28 104.245 -158.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 mmt-85 -48.64 126.63 12.14 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.509 1.524 . . . . 9.64 111.81 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.3 m -145.6 140.21 27.22 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.817 -1.549 . . . . 10.94 106.817 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 tp -165.05 -170.01 1.82 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.033 -2.21 . . . . 13.71 105.033 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.11 166.36 11.13 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.067 -1.457 . . . . 18.26 107.067 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -153.97 64.82 0.71 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.035 -1.098 . . . . 19.17 108.035 159.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 66' ' ' PRO 0.301 15.0 m -145.29 -86.53 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.576 0 CA-C-O 118.114 -0.946 . . . . 23.1 112.517 178.224 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 65' ' ' SER . 75.9 Cg_endo -71.21 72.3 2.2 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.939 3.093 . . . . 24.29 111.728 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.41 73.44 0.72 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 106.304 -1.739 . . . . 27.98 106.304 162.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 m80 . . . . . 0 N--CA 1.436 -1.141 0 C-N-CA 126.306 1.843 . . . . 30.28 110.983 -160.739 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 123.097 1.427 . . . . 24.93 109.566 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.87 65.83 8.49 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 123.139 1.447 . . . . 20.11 110.933 -158.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.1 t -81.27 61.23 4.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.321 -1.308 . . . . 21.24 108.144 166.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -140.97 -57.67 0.5 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.148 0.579 . . . . 19.43 110.29 -175.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 164.33 145.35 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 128.966 2.906 . . . . 21.81 103.741 -167.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.9 p 44.15 93.15 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 126.846 2.058 . . . . 13.34 111.958 169.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.43 97.84 10.1 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.458 -0.792 . . . . 13.71 109.726 -169.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.87 162.43 21.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.234 0.613 . . . . 7.01 109.524 173.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.2 p -74.15 -173.65 1.71 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.594 1.958 . . . . 4.39 110.203 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 87.65 164.85 0.07 Allowed 'General case' 0 N--CA 1.434 -1.254 0 C-N-CA 130.597 3.559 . . . . 2.6 111.296 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.476 HG23 HE21 ' A' ' 12' ' ' GLN . 0.7 OUTLIER -139.63 170.75 15.33 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.718 1.607 . . . . 1.26 108.319 178.207 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.17 -56.16 20.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.605 -0.887 . . . . 3.99 108.605 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.41 -55.5 18.34 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.033 0.533 . . . . 1.51 110.004 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.476 HE21 HG23 ' A' ' 9' ' ' THR . 0.3 OUTLIER -53.97 -52.48 60.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.912 0.387 . . . . 1.45 110.697 -175.099 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 m -58.87 -43.48 90.87 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.611 -0.709 . . . . 0.7 110.697 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.32 90.0 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.808 1.185 . . . . 0.68 109.295 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -53.82 -54.79 33.44 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.094 -1.076 . . . . 3.51 108.094 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.78 -33.68 73.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.828 1.651 . . . . 1.19 112.594 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -51.64 30.81 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.927 -1.138 . . . . 2.32 107.927 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 51.31 0.89 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.794 1.283 . . . . 3.47 111.236 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG3' ' CD1' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -156.45 -38.81 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 129.759 3.224 . . . . 3.11 105.609 -172.22 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -63.15 -33.57 75.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.708 -1.245 . . . . 0.92 109.408 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.18 -30.9 71.45 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.963 -1.086 . . . . 3.54 111.337 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -64.99 -61.41 2.17 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.422 1.489 . . . . 2.07 110.044 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.63 108.08 0.09 Allowed 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.292 1.037 . . . . 2.47 109.019 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -56.31 23.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 121.371 0.605 . . . . 6.96 110.88 -168.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -78.07 90.55 4.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.609 -1.626 . . . . 2.44 106.609 167.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.553 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -63.56 151.09 9.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.884 0.373 . . . . 1.76 110.856 -171.614 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -57.48 144.31 37.26 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 107.428 -1.323 . . . . 1.2 107.428 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -56.82 -43.85 81.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.372 0.987 . . . . 7.53 110.195 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -61.53 -47.7 84.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.625 -0.43 . . . . 6.29 110.157 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -60.41 -43.74 96.41 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 109.509 -0.552 . . . . 2.17 109.509 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HG3' HD12 ' A' ' 26' ' ' ILE . 11.9 ttm180 -63.77 -41.95 97.89 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.771 -0.581 . . . . 2.71 109.457 -175.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.44 -49.49 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.655 0.661 . . . . 1.29 110.243 172.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -63.0 1.29 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.361 1.064 . . . . 2.0 108.134 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -53.63 -53.53 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 124.348 1.059 . . . . 1.04 110.74 178.328 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.44 18.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.952 0.796 . . . . 0.68 110.138 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.66 -69.5 0.32 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.706 -0.679 . . . . 1.24 110.381 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.02 79.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.172 0.989 . . . . 0.52 112.853 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 -8.35 59.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.274 1.83 . . . . 0.86 110.078 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 51.99 63.93 2.05 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.449 1.499 . . . . 1.95 113.016 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 40' ' ' LEU . 15.4 tp -147.02 157.53 43.64 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.548 -0.908 . . . . 1.61 108.548 166.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 p -83.02 147.87 27.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.36 0.982 . . . . 1.0 109.988 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -39.83 90.9 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 124.856 1.262 . . . . 4.71 110.65 -175.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.53 -51.81 67.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.505 0.722 . . . . 5.33 109.826 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.58 -42.95 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.835 0.854 . . . . 4.06 109.983 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.57 -51.98 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.163 1.385 . . . . 0.88 110.418 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -51.06 -48.33 61.59 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.004 0.82 . . . . 3.29 108.817 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.17 -48.42 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 118.248 -0.882 . . . . 1.95 110.469 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -54.15 -48.56 70.74 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.044 1.293 . . . . 0.57 110.957 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 26' ' ' ILE . 42.9 m-85 -70.42 -19.06 63.02 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.547 -0.721 . . . . 1.32 111.864 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -55.87 10.4 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.835 -0.802 . . . . 3.89 108.835 163.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -55.48 8.6 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.636 1.974 . . . . 2.25 111.784 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -50.73 8.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.568 1.947 . . . . 5.09 111.136 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -49.81 -38.28 33.99 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.998 0.74 . . . . 4.11 112.998 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 51.1 mtm -135.22 43.98 2.62 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.158 0.583 . . . . 5.02 111.067 -171.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -79.0 46.38 0.69 Allowed 'General case' 0 CA--C 1.537 0.442 0 O-C-N 120.927 -1.108 . . . . 5.69 111.798 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' ARG . 49.4 m 63.54 83.53 0.16 Allowed 'General case' 0 C--O 1.21 -1.008 0 C-N-CA 126.089 1.756 . . . . 6.36 111.274 171.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER 58.07 23.85 10.53 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.046 1.338 . . . . 6.67 111.636 -166.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt 41.11 34.0 0.27 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.811 2.044 . . . . 8.83 111.51 -159.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -173.34 -78.28 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 122.993 0.517 . . . . 12.08 109.794 -160.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -162.37 108.86 1.27 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 107.879 -1.156 . . . . 15.35 107.879 -173.429 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.3 t -85.36 -172.78 4.33 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.203 0.525 . . . . 12.61 111.683 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -95.25 107.5 19.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.069 1.747 . . . . 15.97 106.438 166.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -103.62 14.98 29.99 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 128.385 2.674 . . . . 19.95 111.299 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 p 58.95 -148.33 0.48 Allowed 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.794 1.638 . . . . 21.77 111.35 -175.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 t -174.98 81.0 0.32 Allowed Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 124.814 1.245 . . . . 26.06 108.182 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.25 173.68 14.09 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.239 1.959 . . . . 28.72 109.885 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.01 -134.09 0.12 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 106.794 -1.558 . . . . 35.13 106.794 175.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.0 m80 . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 120.082 1.31 . . . . 39.72 109.953 167.397 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.9 ptp . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 108.621 -0.881 . . . . 26.41 108.621 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.33 40.04 3.78 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.06 0.457 . . . . 20.57 112.106 -158.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m -72.93 66.07 0.77 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.499 0.72 . . . . 16.35 109.22 168.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' C ' ' HE ' ' A' ' 3' ' ' ARG . 47.5 mttm -75.06 64.12 1.33 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.026 0.93 . . . . 18.72 110.786 -173.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.409 ' HE ' ' C ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER 51.57 -172.06 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 128.992 2.917 . . . . 19.63 112.072 -166.248 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.1 p 44.11 93.29 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.844 2.058 . . . . 11.39 112.85 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -79.0 -39.8 33.19 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.636 0.774 . . . . 11.94 110.91 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -67.44 154.87 40.36 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.737 0.78 . . . . 7.25 112.25 -161.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.8 p -93.55 166.03 12.45 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.677 1.991 . . . . 3.41 114.185 -162.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -135.23 159.53 41.26 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 127.228 2.211 . . . . 2.44 105.373 159.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.67 169.69 17.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.606 1.162 . . . . 1.78 108.092 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -58.0 -54.61 44.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.697 -0.853 . . . . 5.5 108.697 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -49.95 -54.57 19.01 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.868 0.867 . . . . 1.88 110.062 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -62.57 1.57 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 119.146 -0.454 . . . . 4.34 110.488 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.2 m -46.74 -44.16 18.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.495 -0.764 . . . . 1.02 111.165 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -53.48 57.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.705 1.138 . . . . 0.79 109.828 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.61 -45.66 81.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.351 1.072 . . . . 3.13 110.301 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.33 -32.12 73.6 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.86 2.064 . . . . 1.63 111.684 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -43.56 63.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.678 1.126 . . . . 2.4 108.564 176.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -50.26 67.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.879 0.847 . . . . 4.24 109.199 171.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.18 -34.0 72.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.877 0.871 . . . . 3.6 112.343 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.84 -50.38 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.458 -0.777 . . . . 1.0 110.004 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -54.37 -37.05 64.54 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.949 0.499 . . . . 3.66 110.405 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -63.63 -61.47 2.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.988 0.515 . . . . 2.4 110.322 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -155.07 105.52 2.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 123.919 0.887 . . . . 2.78 109.349 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' A' ' 24' ' ' ARG . 10.9 ptt85 -63.18 -8.66 8.53 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.474 1.11 . . . . 4.28 111.724 -175.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -135.32 91.05 2.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.265 2.226 . . . . 3.13 105.064 167.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.571 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -67.36 149.13 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.438 -0.788 . . . . 1.83 109.881 -173.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.81 149.58 46.61 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.953 -1.023 . . . . 0.98 108.694 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 -55.17 -47.01 75.76 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 120.866 1.666 . . . . 4.68 110.354 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -56.07 -51.4 68.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.96 -0.385 . . . . 5.11 109.96 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.77 85.92 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.634 -0.506 . . . . 2.5 109.634 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.571 ' HG3' HD12 ' A' ' 26' ' ' ILE . 7.0 ttm180 -60.76 -43.69 97.69 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.758 0.823 . . . . 2.5 110.214 -174.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.4 -45.73 85.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 O-C-N 121.513 -0.742 . . . . 1.27 110.227 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.8 -63.04 1.28 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.999 -0.741 . . . . 1.94 108.999 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -61.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 126.099 1.76 . . . . 1.22 108.215 175.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.36 -42.84 32.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.92 0.782 . . . . 0.63 111.143 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -63.03 -55.93 21.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.539 -0.541 . . . . 1.54 109.539 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.35 70.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.174 0.59 . . . . 0.63 112.334 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -4.9 58.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.448 1.099 . . . . 1.11 108.325 -171.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.5 t 62.39 43.22 8.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.134 1.774 . . . . 1.99 112.011 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tp -134.27 -147.89 0.3 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.983 1.313 . . . . 1.74 111.477 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.4 p -153.34 156.26 38.0 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.092 -1.005 . . . . 1.12 111.822 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.52 -45.29 77.13 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.251 1.02 . . . . 3.48 110.064 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.56 -54.02 46.83 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.583 1.153 . . . . 7.83 110.765 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -57.35 -50.86 71.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.35 0.66 . . . . 2.87 109.78 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.17 -44.95 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.82 110.618 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -51.07 61.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.1 0.56 . . . . 4.57 109.75 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -58.12 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 118.166 -0.921 . . . . 1.53 110.12 173.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -47.64 -48.2 28.86 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.306 -0.627 . . . . 0.71 109.306 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -54.73 32.52 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.421 1.488 . . . . 1.49 111.476 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -49.87 -46.7 51.79 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.569 0.622 . . . . 3.56 110.342 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -56.48 21.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.478 1.911 . . . . 3.57 110.592 174.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -44.46 -40.02 5.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.865 1.666 . . . . 4.16 114.641 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.58 -36.07 73.39 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 2.95 112.23 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 65.2 mtt -118.47 58.37 0.83 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 126.771 2.028 . . . . 4.96 107.6 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.54 -99.76 0.07 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.783 -1.192 . . . . 5.27 107.783 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 m -83.94 60.1 5.63 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.773 0.797 . . . . 8.16 110.388 -173.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' NZ ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -161.62 -38.29 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.456 1.902 . . . . 7.2 108.581 158.513 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -81.61 44.21 0.8 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.438 1.495 . . . . 8.2 110.683 159.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD1' ' NZ ' ' A' ' 57' ' ' LYS . 13.4 p30 -105.17 -44.37 4.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 130.367 3.467 . . . . 8.6 107.702 172.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -175.73 105.76 0.08 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 128.569 2.748 . . . . 11.1 106.828 164.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.2 t -84.26 -167.1 1.63 Allowed 'General case' 0 C--N 1.345 0.409 0 N-CA-C 112.917 0.71 . . . . 9.14 112.917 -171.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.5 tp -139.69 159.66 41.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.027 2.131 . . . . 15.17 106.709 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t0 56.01 66.1 1.28 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 127.409 2.283 . . . . 17.25 108.464 -174.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -76.32 75.64 3.11 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.465 -1.698 . . . . 17.65 109.994 -172.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.256 14.5 m -145.33 -71.32 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 125.547 1.539 . . . . 20.45 110.457 168.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.7 64.92 6.68 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 124.17 3.247 . . . . 21.34 109.785 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -67.53 -26.51 66.36 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.403 2.001 . . . . 20.39 116.403 -158.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . 0.35 37.1 p-80 . . . . . 0 N--CA 1.466 0.36 0 C-N-CA 127.735 2.414 . . . . 23.19 115.354 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 104.354 -2.461 . . . . 29.91 104.354 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -141.9 -168.79 2.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.116 0.885 . . . . 23.34 111.018 -158.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t -170.14 171.17 7.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 104.616 -2.365 . . . . 20.15 104.616 -171.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -78.2 62.03 2.82 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.503 0.592 . . . . 20.08 110.313 -176.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 34.75 -103.2 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.115 2.566 . . . . 20.4 112.164 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 p -153.71 101.74 2.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.238 1.815 . . . . 12.47 106.857 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 68.08 0.3 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.939 1.295 . . . . 10.73 109.894 176.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 159.12 0.78 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.507 0.723 . . . . 6.4 110.85 -172.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p 72.61 152.64 0.13 Allowed 'General case' 0 N--CA 1.42 -1.949 0 C-N-CA 128.078 2.551 . . . . 3.57 110.509 -158.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -134.23 151.29 51.22 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.286 -2.116 . . . . 2.96 105.286 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.65 163.74 20.77 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.221 -0.592 . . . . 1.05 111.058 167.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.68 -53.52 53.82 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.889 -0.782 . . . . 3.82 108.889 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.85 -48.35 75.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.156 -0.475 . . . . 2.44 110.016 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG2' HD22 ' A' ' 38' ' ' LEU . 30.0 mt-30 -56.43 -55.18 36.77 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.34 -0.985 . . . . 2.3 108.34 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -51.22 -48.85 61.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.641 0.655 . . . . 0.6 112.162 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -47.81 82.23 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.551 -0.718 . . . . 0.73 109.498 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -62.31 -41.75 98.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.447 0.699 . . . . 2.77 110.359 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.3 -38.04 79.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.716 1.207 . . . . 2.02 110.927 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -41.68 77.41 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.247 -1.533 . . . . 3.18 108.525 175.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -59.8 -35.45 74.7 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.855 -1.153 . . . . 3.35 111.22 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -62.49 -41.06 98.54 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.972 1.709 . . . . 4.08 110.35 172.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.04 -46.11 89.08 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.396 -1.335 . . . . 1.43 107.396 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -39.42 79.18 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.507 0.723 . . . . 5.3 111.527 171.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -63.67 -37.69 88.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.207 1.003 . . . . 2.03 108.679 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -178.21 119.43 0.09 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.822 1.649 . . . . 2.81 108.431 -175.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -56.38 -40.13 74.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.325 -0.369 . . . . 4.69 110.44 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -118.77 101.06 7.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.447 1.099 . . . . 4.66 108.484 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.6 143.16 15.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.306 0.642 . . . . 2.87 110.337 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -57.31 152.55 13.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.755 -0.657 . . . . 0.91 109.407 161.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -56.36 -41.23 75.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.957 -0.697 . . . . 4.03 110.243 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -50.99 71.21 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.459 0.572 . . . . 3.94 111.106 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -59.58 -39.93 85.75 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.359 0.599 . . . . 2.06 109.653 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -64.7 -43.47 93.38 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.396 -0.366 . . . . 3.08 111.457 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -59.19 -49.02 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.29 0.636 . . . . 1.23 109.708 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.81 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 126.445 1.898 . . . . 2.06 108.75 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 38' ' ' LEU . 1.1 mt -54.03 -55.77 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.87 0.868 . . . . 1.19 110.787 173.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.25 18.9 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.922 1.237 . . . . 0.56 110.807 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -67.37 -59.36 3.46 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.349 0.66 . . . . 1.78 110.692 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.27 13.76 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.552 1.168 . . . . 0.61 111.298 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 ' HG2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -68.5 -15.14 63.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.277 2.231 . . . . 0.99 109.54 -175.724 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.7 m 75.34 51.99 0.07 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.474 1.509 . . . . 2.39 111.478 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.19 -178.98 5.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.25 -0.278 . . . . 2.86 110.25 173.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.56 135.57 48.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.597 0.237 . . . . 1.49 110.56 -173.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.12 -50.29 8.63 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.596 1.558 . . . . 4.53 112.422 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -40.45 89.76 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.135 -0.978 . . . . 9.02 111.236 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.8 -45.26 95.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 122.105 0.955 . . . . 3.09 109.983 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -47.37 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 C-N-CA 125.127 1.371 . . . . 1.94 109.244 172.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -52.99 -53.68 46.35 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.588 -0.893 . . . . 3.99 108.588 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.5 mt -59.18 -42.61 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 122.793 0.437 . . . . 2.12 110.625 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -55.8 -55.49 31.77 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.843 0.457 . . . . 0.57 110.276 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.41 -48.89 76.02 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.272 1.429 . . . . 1.25 110.227 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -46.99 80.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.474 1.11 . . . . 3.87 109.367 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -59.51 4.68 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.437 -1.32 . . . . 2.5 107.437 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -51.22 -45.7 62.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.943 1.297 . . . . 4.73 110.73 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.81 -57.3 0.04 OUTLIER 'General case' 0 C--N 1.347 0.467 0 C-N-CA 126.817 2.047 . . . . 4.48 114.784 175.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 42.0 mtt -138.96 45.58 1.99 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.972 0.909 . . . . 6.52 109.051 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -118.37 -105.53 0.39 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 105.652 -1.981 . . . . 6.59 105.652 164.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -83.88 65.51 8.65 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 122.305 1.05 . . . . 8.11 108.92 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -150.91 -47.57 0.12 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.09 1.756 . . . . 11.82 107.903 163.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -77.14 50.4 0.75 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.883 0.873 . . . . 11.4 108.874 166.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.66 -72.64 0.13 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.896 1.678 . . . . 8.52 111.661 -161.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.43 114.01 4.53 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.181 -0.463 . . . . 13.53 111.462 -159.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.267 6.0 t 45.53 44.01 9.5 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.565 1.546 . . . . 12.39 111.407 -171.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.66 152.69 49.74 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.271 1.429 . . . . 12.39 107.175 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -105.09 164.73 11.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 103.909 -2.626 . . . . 13.96 103.909 158.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -164.59 63.94 0.14 Allowed 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.65 -1.241 . . . . 15.2 107.65 168.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 p -53.57 114.83 6.77 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 105.497 -2.038 . . . . 18.31 105.497 167.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.55 95.46 0.46 Allowed 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 122.462 2.108 . . . . 21.19 114.928 -158.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.11 -26.57 61.29 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 108.109 -1.071 . . . . 23.47 108.109 158.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.02 0 C-N-CA 130.602 3.561 . . . . 24.48 104.999 158.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 106.831 -1.544 . . . . 22.44 106.831 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -165.23 170.44 14.81 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 107.486 -1.302 . . . . 17.96 107.486 -168.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 m -70.9 51.8 0.15 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.17 0.988 . . . . 15.07 111.073 168.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 34.16 46.26 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.223 1.809 . . . . 17.99 113.8 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 58.95 40.62 22.26 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 126.277 1.831 . . . . 20.73 113.552 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -153.76 111.8 3.57 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 104.61 -2.367 . . . . 11.44 104.61 171.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.14 81.45 0.12 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.512 1.925 . . . . 10.41 111.356 174.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -62.05 155.85 22.93 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 121.721 -0.612 . . . . 7.57 109.696 167.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -81.97 -173.83 4.71 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.095 1.358 . . . . 2.96 113.016 -172.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -132.11 166.03 22.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 127.57 2.348 . . . . 2.42 106.602 161.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 168.78 19.33 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.893 2.077 . . . . 1.23 105.876 173.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.98 46.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.487 -0.931 . . . . 5.1 108.487 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -56.25 7.94 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 124.025 0.93 . . . . 2.69 110.528 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.76 -55.87 25.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.834 0.349 . . . . 1.9 110.669 -173.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -55.02 -45.08 75.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.284 -0.865 . . . . 0.69 111.206 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -51.48 65.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 119.925 1.238 . . . . 1.01 110.227 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -55.56 -52.97 61.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.824 0.821 . . . . 3.26 109.094 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.2 -35.76 74.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.755 -0.657 . . . . 1.17 112.722 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -38.43 71.62 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.698 0.681 . . . . 2.36 109.723 178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.68 -47.83 81.22 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.441 -0.787 . . . . 5.45 110.111 169.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.59 -41.02 80.34 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 122.727 1.251 . . . . 3.35 111.199 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -63.39 -37.84 88.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 1.21 110.588 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.96 -27.38 68.8 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.752 -0.593 . . . . 2.96 110.963 170.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -52.57 60.19 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.555 -0.905 . . . . 2.25 108.555 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.449 HD21 ' HB ' ' A' ' 26' ' ' ILE . 15.6 p30 -168.66 166.19 11.89 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 2.92 110.084 -170.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -96.35 3.62 52.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.427 1.091 . . . . 5.44 111.725 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -171.71 88.48 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.613 1.565 . . . . 3.41 108.265 -167.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -89.39 140.93 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.249 -1.019 . . . . 2.06 108.249 -173.712 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -56.02 151.23 12.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.732 0.696 . . . . 1.19 110.959 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.421 0.555 . . . . 4.96 110.425 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.79 85.02 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.752 0.706 . . . . 3.99 109.853 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.63 -32.71 74.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.426 0.69 . . . . 3.23 110.06 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -77.71 -35.58 51.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.425 1.09 . . . . 3.14 111.087 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.9 -46.37 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 0.96 108.71 169.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.53 -63.2 1.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.106 1.763 . . . . 1.89 109.034 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.12 -52.73 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 123.434 0.693 . . . . 1.05 111.071 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.52 -41.02 28.79 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.545 1.066 . . . . 0.53 110.595 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.19 -54.64 11.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.481 -0.327 . . . . 1.69 110.72 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.83 67.21 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 0.72 111.755 -175.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -42.21 86.36 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.027 1.731 . . . . 1.13 108.663 -175.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t 95.61 72.35 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.556 2.743 . . . . 1.58 110.102 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 tp -158.59 -162.34 1.1 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.293 1.437 . . . . 1.46 108.055 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.0 p -133.74 156.96 47.02 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 120.707 1.594 . . . . 1.03 112.347 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.51 -32.79 72.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 4.03 111.57 -173.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -64.38 -51.7 61.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.557 -1.339 . . . . 5.74 109.947 172.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.57 -51.29 67.92 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.959 1.304 . . . . 2.94 109.458 -172.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -58.62 -47.12 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 124.19 0.996 . . . . 1.04 110.652 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -55.83 -46.34 78.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 118.743 -0.646 . . . . 4.78 111.337 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.6 mt -54.86 -56.94 8.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 118.721 0.692 . . . . 1.99 109.309 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -49.86 -47.12 51.96 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.969 -0.539 . . . . 0.49 109.95 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.08 -58.13 10.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.247 0.619 . . . . 1.47 110.761 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -48.51 -43.72 35.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.065 0.946 . . . . 3.61 110.897 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -65.34 0.71 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.85 1.66 . . . . 3.24 110.149 172.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.7 tpt85 -51.85 -39.38 58.79 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.829 2.052 . . . . 4.28 114.184 -173.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -13.81 61.36 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 113.92 1.082 . . . . 5.6 113.92 -168.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -155.06 54.33 0.64 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.33 -1.359 . . . . 6.22 107.33 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -83.68 -73.16 0.43 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 116.257 1.947 . . . . 4.78 116.257 -165.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -152.07 40.22 0.62 Allowed 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.746 -1.205 . . . . 5.11 107.746 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -168.54 -24.08 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.055 -0.975 . . . . 7.78 111.816 -166.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 34.07 5.35 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 120.011 1.278 . . . . 7.92 112.27 171.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -157.64 -55.3 0.07 Allowed 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.406 -0.961 . . . . 9.16 108.406 -162.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -129.33 166.8 18.77 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.857 2.463 . . . . 11.25 104.863 162.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 m 48.23 51.4 14.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.49 0.662 . . . . 8.7 109.764 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.11 110.57 1.24 Allowed 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.793 -0.817 . . . . 13.44 108.793 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.86 145.8 25.19 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 104.475 -2.417 . . . . 13.45 104.475 -176.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.48 135.89 0.19 Allowed 'General case' 0 N--CA 1.436 -1.168 0 O-C-N 124.26 0.975 . . . . 17.02 108.738 158.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -63.23 3.89 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 117.992 0.36 . . . . 20.5 110.401 160.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.3 69.01 7.32 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 123.648 2.898 . . . . 21.21 109.225 171.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -98.15 -136.19 0.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 106.693 -1.595 . . . . 23.25 106.693 164.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 105.742 -1.947 . . . . 25.44 105.742 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 92.7 mtp . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 106.253 -1.758 . . . . 28.4 106.253 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -160.88 151.94 18.78 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 106.512 -1.662 . . . . 23.56 106.512 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.0 m 47.44 78.8 0.07 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.631 1.573 . . . . 23.03 111.285 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 75.98 -47.0 0.56 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.768 1.627 . . . . 26.05 112.415 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -83.38 0.07 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.989 2.115 . . . . 26.8 109.164 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.74 107.84 1.95 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.514 1.126 . . . . 17.17 107.974 175.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -72.54 -50.46 25.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.332 1.453 . . . . 13.98 110.52 -171.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.84 -173.51 0.6 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 127.186 2.194 . . . . 9.44 105.743 -167.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -73.35 -173.75 1.45 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 125.178 1.391 . . . . 4.12 109.424 168.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 72.54 141.0 0.06 Allowed 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 129.291 3.036 . . . . 2.29 110.792 -173.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 161.09 29.86 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 1.44 111.671 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -57.83 -51.05 71.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.445 -0.946 . . . . 5.23 108.445 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.41 -47.72 62.87 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 123.451 0.7 . . . . 2.16 110.23 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.59 -56.32 18.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.061 -0.718 . . . . 1.39 109.061 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 m -56.58 -47.63 79.13 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.981 0.512 . . . . 0.63 111.403 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -48.63 79.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.113 0.565 . . . . 0.99 109.901 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -54.24 -43.32 70.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.278 1.431 . . . . 3.04 109.163 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.22 -42.11 84.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.54 1.136 . . . . 1.12 112.486 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -36.57 70.0 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.4 -1.333 . . . . 3.11 107.4 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -59.28 -48.58 81.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.731 -1.231 . . . . 3.05 110.045 170.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -56.6 -36.23 69.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.986 -1.071 . . . . 3.22 111.612 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.38 -42.76 98.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.273 -0.876 . . . . 1.01 109.043 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.76 -25.62 66.63 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 119.09 -0.481 . . . . 2.94 111.631 170.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -58.63 6.29 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 107.972 -1.121 . . . . 2.22 107.972 175.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -158.89 135.51 9.41 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.652 -1.61 . . . . 3.69 106.652 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -60.72 -19.77 59.58 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.408 0.549 . . . . 6.03 110.987 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -133.99 97.42 3.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.452 1.901 . . . . 2.65 109.617 168.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.34 155.07 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 109.004 -0.739 . . . . 2.45 109.004 165.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.75 152.92 37.98 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.429 0.691 . . . . 1.02 110.647 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.54 -52.34 65.96 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.329 -0.857 . . . . 6.19 109.911 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -40.8 -55.95 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.99 1.316 . . . . 3.71 110.129 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -70.09 -38.65 75.74 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 119.658 -0.817 . . . . 2.5 109.941 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm105 -59.82 -47.99 83.47 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.714 1.143 . . . . 4.45 111.736 -172.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.39 -56.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 122.211 1.005 . . . . 2.14 109.381 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.09 -63.05 1.27 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.179 2.592 . . . . 3.47 109.026 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -59.36 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 126.244 1.817 . . . . 1.35 108.773 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.19 -38.85 63.2 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 119.396 0.998 . . . . 0.95 110.717 -173.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.09 -60.41 3.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.169 0.918 . . . . 2.29 108.686 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.75 67.7 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.56 0.948 . . . . 0.88 113.56 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 -4.18 53.7 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 1.01 109.147 -170.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.61 40.5 4.46 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.487 1.515 . . . . 2.65 112.449 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -121.29 -140.3 0.33 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 107.68 -1.23 . . . . 1.55 107.68 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 p -151.61 168.45 24.91 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 120.773 1.624 . . . . 1.17 109.437 169.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -65.65 -39.21 91.14 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.249 1.024 . . . . 3.49 109.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -59.51 5.23 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.641 0.776 . . . . 9.05 109.018 171.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.53 -39.92 92.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.098 -0.477 . . . . 3.33 111.554 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.91 -54.61 32.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 N-CA-C 108.596 -0.89 . . . . 0.96 108.596 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -51.43 -49.02 62.48 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.546 0.612 . . . . 4.86 110.907 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.4 mt -63.19 -42.94 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.314 0.645 . . . . 1.77 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -59.03 -49.57 77.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.417 0.687 . . . . 0.6 110.114 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.59 -53.97 51.36 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.291 -1.003 . . . . 1.11 108.291 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -47.05 -54.22 10.81 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.778 -0.453 . . . . 3.64 109.778 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.78 -45.65 89.35 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.664 1.186 . . . . 2.84 108.861 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -83.74 -5.58 59.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.102 1.361 . . . . 5.4 112.091 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -77.73 -68.46 0.62 Allowed 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.175 -1.787 . . . . 3.6 106.175 158.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 30.5 ttm -81.8 43.89 0.79 Allowed 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 124.087 0.867 . . . . 5.3 109.182 -168.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -83.63 22.3 1.11 Allowed 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 120.849 -1.157 . . . . 5.87 111.918 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.2 m 33.48 50.64 0.29 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 126.665 1.986 . . . . 6.83 111.302 -159.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.57 -36.18 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.65 0.611 . . . . 6.74 112.65 175.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.75 34.5 0.72 Allowed 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.422 0.63 . . . . 7.63 110.875 159.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -179.95 -115.37 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.445 3.098 . . . . 8.98 104.692 -158.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -94.13 54.06 1.84 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.337 -1.477 . . . . 11.77 112.316 -159.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.7 m 33.29 61.67 0.42 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.844 1.794 . . . . 8.9 115.844 158.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.2 tp -136.76 -133.98 0.14 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.17 0.988 . . . . 13.33 109.975 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -105.32 -147.19 0.39 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.689 1.996 . . . . 16.11 110.769 -161.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 t -162.83 53.47 0.19 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.747 0.819 . . . . 17.58 109.32 164.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.5 t 90.5 143.38 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 104.378 -2.453 . . . . 21.06 104.378 -158.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.69 72.5 3.09 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.831 2.354 . . . . 21.97 110.637 -176.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.36 176.06 6.7 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 126.145 1.778 . . . . 25.14 108.154 167.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 125.175 1.39 . . . . 26.02 109.619 174.123 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 10.4 ptp . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 106.847 -1.538 . . . . 31.76 106.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -68.69 71.22 0.2 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.77 1.168 . . . . 30.06 108.111 164.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.8 m 53.88 -119.76 1.54 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 107.699 -1.223 . . . . 27.04 107.699 -159.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.44 64.57 1.63 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.157 1.383 . . . . 25.98 112.35 170.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -150.57 145.52 25.98 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 106.479 -1.675 . . . . 26.05 106.479 169.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.3 p -153.81 97.22 2.07 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.962 0.905 . . . . 17.2 108.748 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.66 118.91 8.28 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.261 -1.755 . . . . 14.7 106.261 164.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -177.98 0.22 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.25 0.62 . . . . 10.56 110.61 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.1 -174.22 1.85 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.568 1.947 . . . . 5.07 111.385 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 72.44 140.84 0.06 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 129.141 2.976 . . . . 3.12 113.462 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.55 157.23 37.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.655 -0.702 . . . . 1.59 110.205 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -54.12 -52.22 61.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.386 -0.968 . . . . 4.61 108.386 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -52.79 -45.94 67.41 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.494 0.496 . . . . 2.47 110.623 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.01 -57.83 9.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.173 0.511 . . . . 1.48 110.528 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -60.3 -46.49 89.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 119.207 -0.425 . . . . 0.63 111.252 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -47.84 80.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.881 0.764 . . . . 0.62 109.216 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.1 -53.28 55.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.638 1.175 . . . . 3.04 108.572 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.346 0.658 . . . . 1.27 112.636 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.13 -47.74 64.27 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 121.02 -1.05 . . . . 2.57 108.863 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -62.9 -35.66 80.79 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.999 -1.063 . . . . 3.06 111.863 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -54.08 -49.37 69.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.468 1.107 . . . . 3.73 108.783 171.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -63.69 -42.48 98.0 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.072 0.549 . . . . 1.61 110.912 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.82 -31.11 72.04 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.03 0.532 . . . . 3.3 110.808 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.86 -50.58 68.28 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.234 -1.025 . . . . 2.83 108.234 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -169.39 162.61 10.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.632 -1.247 . . . . 2.25 107.632 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -87.66 5.91 37.35 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.767 1.025 . . . . 5.87 113.767 -170.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 177.14 104.23 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.32 1.418 . . . . 2.96 107.841 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.3 173.85 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 2.79 109.884 -161.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.26 144.39 55.65 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 119.34 0.973 . . . . 1.74 108.877 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -57.17 -44.73 83.8 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.073 0.852 . . . . 4.53 110.021 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' NH1' ' HB2' ' A' ' 33' ' ' ASP . 21.5 tpt85 -49.33 -51.72 32.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.025 0.375 . . . . 4.13 110.477 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -71.99 -35.73 69.56 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.508 0.505 . . . . 2.3 111.086 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -34.32 65.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.532 -1.355 . . . . 6.28 109.815 -177.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -59.2 -53.24 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 107.944 -1.132 . . . . 1.14 107.944 165.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.538 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.8 t70 -53.85 -62.99 1.29 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 105.625 -1.991 . . . . 2.51 105.625 -167.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 126.528 1.931 . . . . 0.85 108.957 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.91 52.79 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.894 0.77 . . . . 0.67 110.164 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -62.49 -36.39 82.35 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.057 -0.974 . . . . 2.55 110.407 -175.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.38 26.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 0.85 112.628 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -28.84 26.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.199 0.999 . . . . 0.89 108.616 -163.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t 79.55 41.12 0.08 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.629 1.571 . . . . 2.19 111.486 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.4 159.94 26.49 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 105.389 -2.078 . . . . 1.64 105.389 163.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.7 p -85.02 162.8 19.2 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 119.234 -0.987 . . . . 1.6 110.743 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.67 55.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.915 -0.772 . . . . 2.92 108.915 174.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.61 88.18 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.521 1.129 . . . . 6.04 108.977 -176.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.03 -44.55 88.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.862 -0.589 . . . . 3.25 110.899 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.8 mt -59.06 -49.62 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 119.313 0.96 . . . . 0.96 110.537 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -46.62 -56.09 6.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.007 -0.433 . . . . 3.63 110.459 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.34 -40.25 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.173 0.442 . . . . 2.02 111.738 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -58.69 -53.27 60.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.091 0.956 . . . . 0.58 108.784 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -58.37 -49.23 77.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.42 -0.355 . . . . 1.17 110.57 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 53.3 tt0 -55.73 -37.05 67.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.028 0.931 . . . . 4.23 110.778 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -69.61 -42.76 73.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.782 0.833 . . . . 2.62 109.984 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -53.21 50.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.864 0.866 . . . . 5.21 109.638 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.411 ' CD ' ' HA ' ' A' ' 50' ' ' GLN . 7.1 ptm85 -71.75 2.78 4.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 115.385 1.624 . . . . 3.57 115.385 -166.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 ptm -141.79 31.41 1.63 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.645 0.657 . . . . 5.89 109.653 167.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -4.18 5.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 122.041 -0.412 . . . . 5.47 112.103 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 m 60.91 31.85 19.99 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.396 1.078 . . . . 8.13 111.04 166.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -146.69 -46.36 0.19 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 105.343 -2.095 . . . . 6.86 105.343 159.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -83.27 39.22 0.64 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.494 -0.754 . . . . 7.87 110.736 174.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -161.42 -82.36 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.27 1.028 . . . . 10.24 109.994 -170.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.67 173.32 6.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 106.01 -1.848 . . . . 12.14 106.01 159.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -156.05 116.04 3.65 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 107.749 -1.204 . . . . 10.37 107.749 170.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.9 tp -100.62 3.21 42.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.576 0.75 . . . . 14.27 110.992 166.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 33.12 64.09 0.3 Allowed 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 129.946 3.298 . . . . 13.8 109.574 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -63.84 126.94 29.26 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.012 -1.449 . . . . 15.96 110.717 -158.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 t 67.36 68.32 0.55 Allowed Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 124.658 1.183 . . . . 18.81 110.495 -173.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -78.98 -170.37 0.99 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.939 2.426 . . . . 20.68 109.157 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.1 160.86 14.51 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 106.169 -1.789 . . . . 24.58 106.169 165.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 . . . . . 0 C--N 1.324 -0.505 0 C-N-CA 126.054 1.742 . . . . 29.19 110.35 -178.371 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 108.675 -0.861 . . . . 29.2 108.675 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -89.28 51.7 2.19 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.603 0.715 . . . . 22.63 110.437 -165.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p -73.5 53.46 0.42 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.802 1.241 . . . . 20.84 110.851 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -139.38 71.62 1.38 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 125.006 1.322 . . . . 21.51 107.5 -171.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 163.25 4.65 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.558 -0.746 . . . . 17.52 111.725 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.0 p 47.35 93.65 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 126.884 2.074 . . . . 11.13 112.561 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 -145.13 0.09 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.391 -0.596 . . . . 12.17 109.391 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -79.95 164.31 23.6 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.566 -0.709 . . . . 7.65 112.117 -173.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 p -86.65 -174.5 5.01 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.955 2.102 . . . . 3.11 111.731 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -137.92 165.67 25.95 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.174 1.79 . . . . 2.79 110.072 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.45 163.75 31.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.745 2.418 . . . . 0.92 105.791 170.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -54.29 -51.34 64.91 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.271 -0.64 . . . . 4.68 109.271 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.27 -54.34 21.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.994 0.918 . . . . 1.64 110.172 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.76 -56.66 15.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.503 0.321 . . . . 2.09 110.974 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -53.79 -41.94 67.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.538 -0.744 . . . . 0.72 111.106 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -50.11 74.93 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.516 1.053 . . . . 0.59 109.518 177.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -57.69 -45.16 86.04 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.235 0.47 . . . . 3.11 110.002 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.88 -42.0 99.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.076 0.95 . . . . 1.18 112.538 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.25 -54.12 47.49 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.1 -1.0 . . . . 3.72 109.904 170.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -56.12 -39.14 71.75 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 122.2 -0.313 . . . . 4.71 111.305 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.593 ' OE2' HD11 ' A' ' 26' ' ' ILE . 10.1 tt0 -53.95 -35.64 61.96 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.145 1.378 . . . . 4.19 111.077 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -63.68 -25.8 68.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 122.55 0.34 . . . . 1.12 110.688 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -84.17 -21.1 31.42 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.302 1.041 . . . . 3.19 111.22 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.85 -38.47 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.417 -0.957 . . . . 2.71 108.417 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 p30 173.7 174.55 0.15 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.964 2.506 . . . . 2.34 106.803 161.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -72.26 -14.46 61.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.277 0.843 . . . . 5.14 113.277 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -175.68 109.04 0.1 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 107.539 -1.282 . . . . 4.14 107.539 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.593 HD11 ' OE2' ' A' ' 19' ' ' GLU 0.271 0.0 OUTLIER -73.33 146.1 10.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 119.101 -1.039 . . . . 1.65 113.718 -168.388 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -56.36 143.87 32.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 112.867 -1.969 . . . . 1.59 109.289 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -61.34 -34.18 74.85 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.044 -0.662 . . . . 4.53 111.541 -169.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.97 -48.75 80.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.511 0.596 . . . . 4.99 109.808 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -36.38 74.8 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 122.773 1.273 . . . . 2.31 109.097 -174.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.528 ' HA ' HD12 ' A' ' 26' ' ' ILE . 11.2 ttm180 -72.2 -35.39 68.91 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.085 -0.961 . . . . 2.37 110.212 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.07 -44.76 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.466 0.575 . . . . 1.27 109.851 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -63.5 1.13 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.49 -0.559 . . . . 1.81 109.49 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 122.972 0.509 . . . . 0.82 110.548 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.58 -39.32 23.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.301 0.955 . . . . 0.55 110.447 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -65.72 -58.88 4.64 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.838 0.29 . . . . 1.13 110.333 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.01 47.01 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.754 0.787 . . . . 0.56 112.442 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -19.82 65.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.961 2.104 . . . . 0.81 108.326 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m 74.4 39.43 0.47 Allowed 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 127.128 2.171 . . . . 2.38 110.843 171.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 40' ' ' LEU . 7.1 tp -120.28 -160.93 0.85 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.317 1.847 . . . . 1.48 109.3 -176.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.06 138.48 49.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.701 1.137 . . . . 1.16 112.075 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -49.55 -45.92 48.17 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.681 1.992 . . . . 3.11 112.31 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -56.07 -50.48 70.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.439 1.495 . . . . 5.74 110.528 170.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.401 HE21 ' C ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -58.86 -43.24 90.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.104 0.562 . . . . 3.86 109.505 -177.185 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.56 -48.63 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.706 -0.479 . . . . 0.94 109.706 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -48.0 -53.11 17.26 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.254 0.479 . . . . 3.39 110.442 175.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.36 -56.81 11.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 CA-C-O 118.755 -0.64 . . . . 1.73 109.588 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -52.2 -46.48 65.63 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.294 0.497 . . . . 0.68 110.194 -170.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -62.8 -47.53 83.03 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.529 0.332 . . . . 1.25 111.542 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -56.08 -45.63 79.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 3.79 110.6 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -60.7 3.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.394 1.878 . . . . 3.07 109.497 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -49.49 -41.91 41.99 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.361 1.464 . . . . 4.1 111.072 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -33.66 -45.74 0.18 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.8 1.24 . . . . 3.69 114.346 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.4 ttp -163.55 94.37 0.78 Allowed 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.837 -1.172 . . . . 5.41 107.837 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.17 -106.88 0.28 Allowed 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.974 -1.012 . . . . 8.47 112.047 170.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.0 p -103.42 17.17 24.68 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 120.814 1.643 . . . . 7.11 113.1 -163.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -118.86 -51.4 2.36 Favored 'General case' 0 N--CA 1.434 -1.254 0 C-N-CA 127.35 2.26 . . . . 8.58 106.047 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.82 50.42 1.53 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 108.552 -0.907 . . . . 10.15 108.552 169.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.06 -71.82 0.33 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.788 2.035 . . . . 10.35 106.076 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 60' ' ' ARG 0.527 8.0 mmp_? 5.3 60.37 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 118.234 2.679 . . . . 12.09 118.234 -158.578 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.9 t -105.6 -177.17 3.29 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 106.775 -1.565 . . . . 14.02 106.775 158.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.26 30.45 0.24 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.017 1.327 . . . . 19.18 109.409 -176.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -82.59 52.64 2.13 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.885 1.674 . . . . 21.37 109.705 -175.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -63.87 101.91 0.42 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.399 0.679 . . . . 24.45 109.644 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.262 21.3 t -157.57 -71.84 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 113.612 0.967 . . . . 27.98 113.612 -168.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.85 -165.49 0.26 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 124.034 3.156 . . . . 27.86 110.76 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -69.34 -25.69 64.32 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.466 -0.771 . . . . 31.69 112.401 171.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.1 m80 . . . . . 0 N--CA 1.446 -0.639 0 C-N-CA 128.875 2.87 . . . . 29.39 111.735 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 107.258 -1.386 . . . . 20.21 107.258 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -74.16 69.96 1.56 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.483 -0.932 . . . . 16.97 108.483 173.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.1 m 41.26 -126.63 0.53 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.073 1.349 . . . . 18.02 108.933 -164.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.1 25.43 11.14 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 109.865 -0.42 . . . . 17.26 109.865 158.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.7 tpp85 -67.52 -45.91 74.38 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.454 -1.313 . . . . 19.65 107.454 164.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 p 44.65 93.21 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.69 1.996 . . . . 11.21 112.039 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -110.94 65.46 0.62 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.761 1.224 . . . . 14.98 109.753 -159.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.49 -176.24 4.34 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 123.97 0.908 . . . . 6.16 109.024 167.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p 65.03 174.69 0.21 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.492 1.917 . . . . 2.93 113.6 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -151.62 148.9 28.53 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.392 1.877 . . . . 2.28 106.458 -172.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.77 162.82 27.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.888 0.375 . . . . 1.02 110.051 158.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -55.88 -44.38 78.11 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.622 -0.51 . . . . 5.29 109.622 171.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.71 -52.02 66.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.616 0.573 . . . . 1.94 110.234 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.463 ' HG2' HD22 ' A' ' 38' ' ' LEU . 15.7 mt-30 -54.3 -46.43 72.78 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.746 -0.464 . . . . 2.12 109.746 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -57.46 -53.2 60.86 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.369 -0.824 . . . . 0.55 110.952 174.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -48.69 68.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.813 1.188 . . . . 0.6 110.528 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.595 ' CG ' HD11 ' A' ' 38' ' ' LEU . 11.4 tp10 -58.09 -50.25 74.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.391 0.676 . . . . 2.6 109.75 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.36 -37.95 76.25 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.689 0.796 . . . . 1.2 112.35 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -56.8 12.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.021 -1.844 . . . . 2.87 106.021 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.16 73.36 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 119.868 -0.733 . . . . 4.01 111.961 173.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -54.75 -34.08 62.07 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 121.067 -1.021 . . . . 3.46 111.538 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.83 -39.23 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.898 -1.047 . . . . 1.25 108.931 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -81.68 -20.43 39.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.898 0.479 . . . . 6.16 111.275 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -51.26 64.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.695 -1.224 . . . . 2.66 107.695 168.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -147.71 119.35 8.01 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.848 0.859 . . . . 2.6 109.007 -173.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -53.94 -34.5 59.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.446 0.298 . . . . 5.58 111.064 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -141.25 129.62 22.42 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 105.696 -1.964 . . . . 2.74 105.696 158.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -90.18 138.05 20.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 C-N-CA 124.336 1.054 . . . . 2.24 109.032 -165.823 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -54.09 144.56 19.19 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.015 -0.735 . . . . 0.87 109.015 -172.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -56.38 -35.85 68.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.369 0.986 . . . . 4.03 111.329 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -58.26 -54.45 46.8 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.934 0.788 . . . . 6.63 110.203 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HG3' HD12 ' A' ' 26' ' ' ILE . 31.2 tpt180 -58.26 -39.72 79.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.991 0.424 . . . . 1.84 110.255 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.7 ttp85 -74.14 -36.6 64.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.975 -1.078 . . . . 2.67 111.961 -175.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.8 -52.12 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.416 -0.587 . . . . 1.1 109.416 165.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -63.23 1.21 Allowed 'General case' 0 N--CA 1.46 0.056 0 N-CA-C 107.959 -1.126 . . . . 1.93 107.959 -176.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.765 HG12 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -56.75 -52.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.195 0 C-N-CA 124.242 1.017 . . . . 0.8 110.263 -178.224 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -45.59 39.04 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 119.357 0.981 . . . . 0.49 109.988 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.4 -60.14 2.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 123.88 0.738 . . . . 1.39 110.698 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.32 79.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.25 0.548 . . . . 0.72 111.896 -173.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.765 HD12 HG12 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -83.29 -24.17 32.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.169 1.788 . . . . 1.22 109.582 -170.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 84.67 56.13 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.663 1.585 . . . . 1.82 111.436 170.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.89 -164.79 1.63 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.416 -1.327 . . . . 1.47 107.416 165.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -126.92 149.0 50.02 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.849 1.659 . . . . 0.89 110.424 172.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -25.97 67.34 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.275 0.472 . . . . 3.28 112.275 -169.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -70.16 -50.52 39.51 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.981 1.712 . . . . 4.88 110.437 172.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -62.44 -40.05 95.31 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.751 -0.833 . . . . 2.92 108.751 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mt -56.66 -54.17 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.461 1.904 . . . . 0.75 110.654 168.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.94 -47.84 70.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.22 -0.925 . . . . 4.42 110.557 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mt -54.52 -57.04 7.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 N-CA-C 109.041 -0.726 . . . . 1.77 109.041 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -48.15 -46.89 34.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.42 0.554 . . . . 0.6 110.427 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.33 -48.67 78.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.439 1.496 . . . . 1.25 112.217 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -53.81 -51.54 63.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.592 1.157 . . . . 4.28 109.513 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -61.66 2.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.338 1.855 . . . . 3.26 109.496 176.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -43.81 -54.14 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.896 1.679 . . . . 4.84 111.71 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -63.56 -5.93 4.54 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 115.044 1.498 . . . . 3.87 115.044 -176.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -125.7 4.4 7.47 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.344 0.975 . . . . 7.28 112.576 169.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -82.7 -66.17 0.92 Allowed 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.194 0.907 . . . . 5.56 110.667 -165.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -83.44 42.04 0.81 Allowed 'General case' 0 C--O 1.206 -1.22 0 N-CA-C 107.654 -1.239 . . . . 7.4 107.654 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.334 5.2 mtmp? 44.11 12.33 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 115.397 1.629 . . . . 7.71 115.397 -159.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.59 41.75 17.94 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.227 -1.027 . . . . 7.66 108.227 -162.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -175.01 -67.14 0.01 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.459 0.704 . . . . 8.95 110.576 -159.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' SER . 67.9 ttt180 -70.88 74.66 0.62 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.754 0.788 . . . . 12.7 109.66 173.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.6 m -80.3 58.81 3.2 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.095 1.758 . . . . 12.99 109.908 -170.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 tp -78.25 3.2 16.0 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.275 0.843 . . . . 15.91 113.275 -168.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -103.94 13.39 32.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.877 1.271 . . . . 19.91 110.765 168.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 t 49.74 -149.42 0.24 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.518 -0.739 . . . . 19.49 109.955 -172.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -145.53 102.03 4.31 Favored Pre-proline 0 N--CA 1.453 -0.302 0 N-CA-C 106.32 -1.733 . . . . 23.28 106.32 159.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.48 71.55 4.57 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.588 2.192 . . . . 26.24 108.05 177.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -109.52 51.44 0.75 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.156 1.782 . . . . 27.76 108.673 -165.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 . . . . . 0 N--CA 1.447 -0.592 0 C-N-CA 128.417 2.687 . . . . 30.66 105.513 -166.326 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 122.53 1.157 . . . . 19.77 108.403 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.78 58.48 3.83 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.917 2.487 . . . . 17.71 110.105 -158.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.0 p -102.31 129.44 48.74 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.993 2.117 . . . . 15.04 107.646 -169.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -69.54 -47.89 62.21 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 122.052 -0.405 . . . . 17.86 109.934 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -121.49 164.2 17.56 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.736 1.614 . . . . 20.72 108.184 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.7 p 56.44 93.95 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.623 1.969 . . . . 11.67 111.416 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -43.24 10.32 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.92 0.888 . . . . 13.24 111.947 -161.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -102.29 156.03 17.84 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.701 -1.592 . . . . 6.95 106.701 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -78.7 152.36 31.64 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.098 0.959 . . . . 2.73 108.428 172.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.29 134.03 55.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.694 -1.595 . . . . 2.05 106.694 167.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.22 166.83 21.03 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 110.242 -0.281 . . . . 1.02 110.242 162.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.407 HH11 ' C ' ' A' ' 68' ' ' HIS . 23.3 ttt85 -64.26 -45.26 88.91 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 119.017 -1.073 . . . . 5.13 109.804 171.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -55.04 6.63 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.61 1.096 . . . . 2.46 110.077 173.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' NE2' HD13 ' A' ' 40' ' ' LEU . 3.8 mt-30 -54.34 -57.08 12.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.611 -0.514 . . . . 1.47 109.611 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 m -53.72 -39.41 65.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.534 0.734 . . . . 0.81 111.473 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -49.12 71.89 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.097 -1.446 . . . . 0.84 107.097 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.76 -50.48 70.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.693 -0.484 . . . . 2.69 109.693 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.97 -39.05 71.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.955 0.902 . . . . 1.79 112.434 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -52.96 60.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.933 1.293 . . . . 2.59 109.435 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -61.5 -32.75 72.78 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.343 -0.848 . . . . 3.12 111.281 173.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -37.47 83.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.778 -1.201 . . . . 3.24 110.3 172.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 15.5 t80 -63.71 -15.04 57.45 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.816 -1.177 . . . . 1.14 112.028 173.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -94.8 -17.38 22.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.05 1.34 . . . . 2.81 111.174 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -46.22 74.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.3 -1.741 . . . . 2.3 106.3 172.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.473 ' OD1' HG22 ' A' ' 26' ' ' ILE . 12.7 p30 -173.56 -176.37 1.27 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.768 2.027 . . . . 3.16 106.298 -172.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 5.6 ptp180 -139.55 34.06 2.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.785 0.834 . . . . 7.92 110.424 167.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -175.79 88.47 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.737 3.215 . . . . 4.17 105.611 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -105.56 150.12 8.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 124.039 0.936 . . . . 2.42 110.804 -170.019 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -64.33 147.46 52.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.556 -0.535 . . . . 1.31 109.556 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -61.93 -37.54 85.06 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 119.609 -0.836 . . . . 4.26 110.503 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -48.98 66.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.041 0.536 . . . . 4.68 109.631 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.66 -37.34 70.8 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 122.163 -0.335 . . . . 1.93 111.146 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -71.6 -40.16 70.02 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.176 -0.952 . . . . 2.75 111.547 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.61 -47.3 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.807 0.73 . . . . 1.18 109.666 173.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -63.43 1.15 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.602 1.561 . . . . 2.11 109.088 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -46.83 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 116.034 -0.53 . . . . 1.21 110.148 -178.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.79 38.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.574 0.75 . . . . 0.69 109.558 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -67.09 -58.64 4.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 124.171 0.919 . . . . 1.23 110.011 -176.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.94 84.13 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.427 0.632 . . . . 0.68 112.253 -175.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.49 -40.33 80.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.808 2.043 . . . . 1.05 109.002 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 92.85 42.99 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.074 2.55 . . . . 1.53 111.04 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.44 HD13 ' NE2' ' A' ' 12' ' ' GLN . 6.8 tp -136.1 144.69 45.26 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.214 -0.928 . . . . 1.9 108.573 174.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.42 144.51 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.709 0.803 . . . . 1.51 111.589 -168.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -48.55 -49.05 38.04 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.68 0.673 . . . . 3.07 111.807 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -43.0 68.48 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.208 0.603 . . . . 5.71 109.777 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -54.03 40.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.845 0.858 . . . . 3.86 108.696 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -54.27 -43.95 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.393 1.077 . . . . 0.95 109.573 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -57.88 -53.94 52.52 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.719 -0.613 . . . . 3.3 110.469 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.43 -43.99 95.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 117.829 0.286 . . . . 1.96 110.637 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.04 -48.29 78.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.55 1.14 . . . . 0.65 109.031 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -64.01 -49.47 72.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 122.096 -0.378 . . . . 1.42 110.609 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.22 -43.44 52.78 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.758 -0.46 . . . . 3.89 109.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.45 -59.62 3.81 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.552 -1.277 . . . . 2.25 107.552 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -50.64 -37.52 41.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 127.182 2.193 . . . . 4.17 112.909 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -51.93 -31.27 28.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.926 0.891 . . . . 4.36 111.014 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -155.34 57.19 0.64 Allowed 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 122.757 0.423 . . . . 5.12 110.666 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -70.07 -9.19 54.59 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.501 0.926 . . . . 5.95 113.501 -172.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m 52.85 49.07 21.06 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.656 -0.868 . . . . 5.55 108.656 -162.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 tppm? -163.35 -45.54 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.039 1.336 . . . . 7.99 110.724 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -105.58 33.55 3.68 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.49 2.316 . . . . 10.21 115.077 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -165.79 -51.68 0.03 OUTLIER 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.412 1.885 . . . . 6.74 108.67 -163.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 mtm-85 -132.08 150.35 52.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.401 1.88 . . . . 9.34 107.712 173.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.265 13.7 t 51.09 -167.53 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.504 1.921 . . . . 10.52 113.032 -177.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.3 27.43 0.06 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.157 0.983 . . . . 15.41 110.982 -168.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -76.65 53.2 0.87 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.495 1.918 . . . . 16.9 110.168 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.9 m -79.47 56.61 2.2 Favored 'General case' 0 C--N 1.334 -0.079 0 N-CA-C 115.309 1.596 . . . . 19.57 115.309 -162.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.254 19.5 m -77.09 -54.29 1.57 Allowed Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 111.993 0.368 . . . . 22.93 111.993 158.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -83.18 54.37 4.69 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.976 3.118 . . . . 22.1 109.694 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -176.12 5.85 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.848 -1.908 . . . . 25.14 105.848 161.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.407 ' C ' HH11 ' A' ' 10' ' ' ARG . 5.1 m-70 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 107.593 -1.262 . . . . 27.16 107.593 174.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 107.189 -1.411 . . . . 26.68 107.189 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.5 52.97 1.8 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 113.358 0.873 . . . . 22.48 113.358 -158.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -16.65 60.92 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.865 1.666 . . . . 19.39 112.127 168.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -29.62 59.24 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.351 0.871 . . . . 24.43 113.351 -174.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -73.96 47.17 0.26 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.575 0.75 . . . . 19.87 111.519 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.7 p 43.88 93.51 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.159 2.184 . . . . 13.29 112.527 -172.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 82.8 0.99 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.338 -0.616 . . . . 12.39 109.338 175.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -66.66 169.31 7.98 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.353 -0.61 . . . . 6.2 109.353 161.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.6 p 59.52 124.34 0.01 OUTLIER 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 128.541 2.737 . . . . 2.93 112.912 -169.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.12 141.02 45.18 Favored 'General case' 0 CA--C 1.52 -0.203 0 O-C-N 121.404 -0.81 . . . . 2.25 109.512 -165.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.1 158.87 33.47 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.348 0.594 . . . . 1.37 110.847 167.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -56.36 -49.23 75.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.814 -0.809 . . . . 4.31 108.814 171.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -52.62 -49.86 64.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.92 0.488 . . . . 1.97 110.666 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' HG2' ' CD2' ' A' ' 38' ' ' LEU . 2.9 mt-30 -53.83 -56.08 20.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.748 -0.834 . . . . 1.39 108.748 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 m -55.63 -46.63 77.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.35 -0.841 . . . . 0.87 110.692 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -50.78 72.71 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.19 0.905 . . . . 0.68 109.772 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.54 -44.55 72.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.401 -0.592 . . . . 2.88 109.401 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.37 -45.67 83.17 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.574 1.15 . . . . 1.18 112.854 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.0 -50.28 36.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.603 1.561 . . . . 2.93 109.082 172.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -62.06 -49.24 76.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.647 1.579 . . . . 3.04 112.032 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -33.58 56.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.835 1.654 . . . . 3.13 109.596 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.48 -27.68 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.621 -1.299 . . . . 1.07 111.348 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -70.3 -25.4 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.652 -0.655 . . . . 3.0 110.896 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.31 80.55 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.513 -0.921 . . . . 1.99 108.513 173.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.19 146.2 3.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.917 0.487 . . . . 3.24 111.35 -170.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -76.52 -21.4 55.79 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.545 0.738 . . . . 4.7 112.318 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -145.49 142.49 29.28 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 105.505 -2.035 . . . . 2.8 105.505 164.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.443 HG22 ' HB3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -85.04 147.52 5.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 113.526 0.936 . . . . 1.87 113.526 -175.215 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -70.22 148.78 48.2 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.344 1.457 . . . . 1.18 109.14 173.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.12 -46.5 68.79 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 120.923 1.692 . . . . 3.63 111.365 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -55.94 -46.64 78.45 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.692 0.397 . . . . 4.5 110.89 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HB3' HG22 ' A' ' 26' ' ' ILE . 26.4 tpt180 -74.06 -33.91 63.85 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.92 0.39 . . . . 2.18 110.506 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 ttp-105 -68.54 -44.64 74.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 121.549 -0.72 . . . . 3.75 109.824 -172.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.7 -49.84 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.669 -0.493 . . . . 1.99 109.669 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.24 -62.93 1.34 Allowed 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 125.158 1.383 . . . . 2.21 107.804 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.5 mm -50.41 -62.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 124.526 1.13 . . . . 1.4 111.301 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.97 -37.39 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.44 0.696 . . . . 0.54 110.836 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -73.33 -65.77 0.77 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.689 0.618 . . . . 1.97 110.598 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.48 84.76 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.994 0.902 . . . . 0.8 110.659 -167.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -86.25 -4.35 59.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.406 2.282 . . . . 1.15 109.511 179.625 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m 44.44 62.15 2.13 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 126.363 1.865 . . . . 2.0 112.786 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 tp -124.63 -152.47 0.52 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 106.027 -1.842 . . . . 1.49 106.027 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -152.38 152.99 32.72 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 121.343 1.883 . . . . 0.93 112.032 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -49.85 -49.83 47.72 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 2.92 113.412 -170.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.14 -50.0 72.33 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.421 -0.585 . . . . 6.07 109.421 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -51.34 68.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.526 -0.916 . . . . 3.67 108.526 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.6 mt -53.77 -56.74 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 1.55 109.429 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -47.28 -53.72 12.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.605 0.639 . . . . 3.5 110.022 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.67 -38.39 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.1 -0.476 . . . . 2.23 111.522 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.49 -53.12 60.64 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.896 0.771 . . . . 0.61 109.87 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CE1' HD11 ' A' ' 26' ' ' ILE . 17.5 m-85 -59.77 -45.31 92.67 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 108.621 -0.881 . . . . 1.12 108.621 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.62 51.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.338 -0.245 . . . . 4.03 110.338 174.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -58.24 -46.25 86.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.561 1.144 . . . . 2.33 108.658 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -50.67 59.35 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.957 1.303 . . . . 4.05 110.772 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.56 1.19 20.3 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.362 0.875 . . . . 5.05 113.362 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.0 ttt -131.7 39.14 3.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.192 0.997 . . . . 5.93 109.441 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -92.46 18.99 7.68 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 122.012 -0.43 . . . . 5.13 111.387 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . 0.254 22.5 m 41.43 39.78 1.12 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 127.064 2.145 . . . . 6.22 113.297 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -150.04 -57.21 0.18 Allowed 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 127.753 2.421 . . . . 5.7 106.504 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -100.17 55.2 0.91 Allowed 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 107.035 -1.468 . . . . 7.57 107.035 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -163.72 -79.32 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.722 -0.844 . . . . 8.49 108.722 -158.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.8 ptt85 -73.31 154.66 40.04 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.916 -0.401 . . . . 9.66 109.916 -173.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 m 50.75 95.48 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.87 2.068 . . . . 11.34 112.169 175.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.12 164.54 0.85 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 114.056 1.132 . . . . 17.5 114.056 -166.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t0 52.58 37.81 24.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.904 2.082 . . . . 17.54 109.608 -162.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.4 t 50.29 37.76 15.94 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.349 1.46 . . . . 15.19 111.813 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -75.35 140.92 72.96 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 118.282 0.492 . . . . 17.55 110.444 -164.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.69 63.28 8.52 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.302 2.668 . . . . 17.86 111.876 -168.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -76.27 71.23 2.96 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.384 -0.599 . . . . 20.49 109.384 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 116.757 -1.592 . . . . 20.76 107.502 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 110.152 -0.314 . . . . 23.69 110.152 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.74 154.68 41.65 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.938 -0.393 . . . . 21.95 109.938 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.8 m -82.13 -150.33 0.09 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.32 2.248 . . . . 18.53 108.417 177.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 60.8 -64.33 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.642 1.977 . . . . 22.61 114.327 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -1.54 36.75 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.26 1.824 . . . . 23.24 110.782 168.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p 44.64 93.17 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 127.377 2.271 . . . . 14.36 112.379 165.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -118.96 160.65 21.58 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.663 0.785 . . . . 15.67 109.547 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.0 161.86 1.12 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.646 1.978 . . . . 7.76 114.385 -170.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.4 p -73.5 -173.81 1.52 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.364 1.865 . . . . 3.29 109.327 159.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 77.0 162.09 0.23 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 129.84 3.256 . . . . 2.35 108.274 -161.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.42 162.69 35.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.111 -2.181 . . . . 1.67 105.111 -172.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -58.42 -39.31 79.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 120.44 1.473 . . . . 5.73 109.926 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.77 -61.63 2.18 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.364 0.666 . . . . 1.95 109.744 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.06 -48.82 70.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.843 0.83 . . . . 1.73 110.385 -173.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.5 m -65.41 -29.33 70.01 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 117.631 -1.176 . . . . 0.86 111.365 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.84 87.72 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.607 2.003 . . . . 0.71 108.24 172.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -52.23 61.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 106.535 -1.654 . . . . 2.51 106.535 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.637 HD12 ' CE3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -61.72 -44.8 96.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.728 1.211 . . . . 2.59 112.098 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.4 -51.36 59.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.563 -1.336 . . . . 4.32 111.036 171.581 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -65.42 -34.13 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.134 -0.979 . . . . 3.84 111.478 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -53.78 -41.81 67.62 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.19 0.996 . . . . 4.57 110.312 169.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.74 -47.15 82.21 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.562 -0.711 . . . . 1.21 110.161 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.61 -27.84 68.06 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.523 -0.308 . . . . 2.72 111.437 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.96 -66.26 0.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.956 1.302 . . . . 2.77 108.908 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -157.64 131.23 7.89 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.864 -0.791 . . . . 3.22 108.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.73 -29.61 64.89 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.489 0.716 . . . . 4.77 111.981 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -130.74 120.52 23.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.222 -1.399 . . . . 2.69 107.222 170.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.433 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -93.15 151.18 3.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 108.552 -0.907 . . . . 1.52 108.552 174.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.12 149.64 49.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.007 -1.108 . . . . 1.27 108.007 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -61.17 -38.89 88.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 120.661 1.573 . . . . 4.38 110.967 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -54.57 -53.24 57.16 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.606 0.639 . . . . 4.93 109.938 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -67.18 -40.5 86.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.893 0.378 . . . . 2.16 110.549 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HG3' HD12 ' A' ' 26' ' ' ILE . 3.2 ttm105 -65.25 -43.4 91.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.832 -0.803 . . . . 2.66 108.832 -177.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.1 -47.97 89.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 118.7 0.682 . . . . 1.2 109.934 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.04 -63.66 1.07 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 108.35 -0.982 . . . . 1.96 108.35 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -57.25 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.49 -0.777 . . . . 1.14 110.056 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.97 -39.32 59.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.575 0.75 . . . . 0.68 110.935 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -68.04 -48.18 66.35 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.504 -0.554 . . . . 1.62 109.504 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.99 93.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.036 0.384 . . . . 0.63 112.036 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -30.79 32.54 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.758 1.223 . . . . 0.94 109.571 -170.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 t 84.99 54.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 128.092 2.557 . . . . 2.12 110.231 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -160.38 1.07 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 2.05 109.275 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -146.52 164.52 32.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.511 1.505 . . . . 1.5 112.332 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.92 -36.82 77.83 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 122.612 0.365 . . . . 3.72 110.463 169.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.89 -54.74 43.71 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.282 -0.636 . . . . 5.83 109.282 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.65 -57.74 10.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.263 -0.575 . . . . 4.01 110.319 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.402 HG23 ' CE1' ' A' ' 49' ' ' PHE . 67.7 mt -54.61 -45.49 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 110.053 -0.351 . . . . 1.26 110.053 -172.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -48.4 -58.5 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.172 -0.677 . . . . 3.28 109.172 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -44.64 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 122.961 0.504 . . . . 2.01 111.512 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.637 ' CE3' HD12 ' A' ' 16' ' ' LEU . 33.7 t90 -57.9 -48.68 79.17 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 108.862 -0.792 . . . . 0.58 108.862 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.402 ' CE1' HG23 ' A' ' 45' ' ' ILE . 7.1 m-85 -67.18 -36.26 81.41 Favored 'General case' 0 C--O 1.232 0.134 0 O-C-N 121.637 -0.665 . . . . 1.44 110.71 -178.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.57 -54.92 30.53 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.584 -0.895 . . . . 4.11 108.584 171.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -59.6 -43.57 93.69 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.934 1.294 . . . . 2.49 109.128 -175.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -77.52 -35.95 52.92 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.152 -0.927 . . . . 6.12 110.768 -170.392 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -70.6 -53.22 16.8 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 119.207 -0.997 . . . . 3.58 108.586 174.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 43.6 mtt -87.82 58.62 4.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.572 0.701 . . . . 5.8 109.111 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -2.42 23.2 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.336 -0.847 . . . . 7.19 112.777 -177.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.8 p 48.85 44.5 22.06 Favored 'General case' 0 CA--C 1.529 0.161 0 O-C-N 121.156 -0.965 . . . . 5.92 111.47 -172.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -155.42 -55.95 0.09 Allowed 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.298 -1.741 . . . . 5.78 106.298 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 44.56 1.21 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.216 -1.401 . . . . 7.28 107.216 174.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -168.09 -84.99 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.019 0.377 . . . . 8.38 112.019 -158.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.49 105.99 11.2 Favored 'General case' 0 CA--C 1.527 0.081 0 N-CA-C 108.933 -0.766 . . . . 13.82 108.933 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.263 12.6 t 52.59 -164.1 0.08 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.837 1.655 . . . . 10.56 111.795 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.6 tp -129.24 104.43 7.52 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.075 1.35 . . . . 12.81 108.734 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -89.98 18.37 5.85 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 126.526 1.93 . . . . 13.12 111.193 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m 49.72 -134.09 1.49 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.062 0.945 . . . . 14.91 110.183 -172.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 m -149.76 151.07 32.0 Favored Pre-proline 0 N--CA 1.456 -0.125 0 N-CA-C 106.752 -1.573 . . . . 17.65 106.752 168.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.78 163.98 37.15 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.154 1.903 . . . . 19.61 109.032 169.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -148.94 -133.76 0.06 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.393 1.477 . . . . 24.66 107.101 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 126.018 1.727 . . . . 27.23 106.83 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 107.658 -1.238 . . . . 24.99 107.658 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.34 76.96 0.38 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.921 0.888 . . . . 19.43 110.963 -175.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.3 t -48.25 143.92 4.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.89 1.276 . . . . 16.75 112.374 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -64.42 -25.0 67.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 118.752 -0.642 . . . . 17.98 111.218 171.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -130.18 169.02 15.91 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.324 1.05 . . . . 17.58 111.248 -172.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p 44.5 93.48 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 127.483 2.313 . . . . 10.32 113.609 169.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -116.85 61.94 0.73 Allowed 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.502 1.521 . . . . 14.85 109.009 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 55.81 172.58 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 127.769 2.428 . . . . 6.71 112.895 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -142.46 132.21 24.1 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.226 2.21 . . . . 2.76 106.969 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -79.06 178.01 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.352 1.061 . . . . 1.94 110.37 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.33 170.25 12.69 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.465 1.506 . . . . 1.03 109.765 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -57.81 -49.81 75.39 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 4.3 109.908 172.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.13 -53.68 54.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.95 -0.759 . . . . 1.46 108.95 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -53.95 -48.45 70.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.8 0.333 . . . . 1.69 110.33 -177.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.1 m -60.29 -42.07 94.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 118.747 -0.644 . . . . 0.71 110.64 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -53.19 59.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.182 0.901 . . . . 0.62 109.307 173.093 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.63 -40.74 72.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.041 0.448 . . . . 2.5 110.384 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.66 -40.98 65.92 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.871 0.868 . . . . 1.25 113.286 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -51.6 58.72 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.522 -1.361 . . . . 3.53 109.509 165.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -56.06 -35.51 67.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.56 1.144 . . . . 3.4 111.312 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.614 ' OE2' HD11 ' A' ' 26' ' ' ILE . 9.3 tt0 -63.17 -41.23 99.2 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 124.435 1.094 . . . . 4.38 111.039 173.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -63.56 -40.33 96.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.138 -0.69 . . . . 1.14 109.138 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -37.12 79.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.737 0.415 . . . . 5.54 111.392 168.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.47 -39.08 93.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.998 0.919 . . . . 2.45 109.023 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 p30 173.04 166.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.166 2.186 . . . . 2.4 109.108 159.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -68.59 -15.97 63.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.759 1.022 . . . . 4.2 113.759 -170.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.73 104.5 0.25 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.036 0.935 . . . . 4.16 108.49 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.614 HD11 ' OE2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -64.47 168.33 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 113.964 1.098 . . . . 1.58 113.964 -171.615 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -72.71 148.19 44.92 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.265 1.026 . . . . 1.33 108.535 164.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.94 -36.4 76.97 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 119.071 -1.052 . . . . 4.54 111.131 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -50.7 68.45 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.773 1.169 . . . . 3.81 110.302 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.48 69.47 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.857 0.837 . . . . 2.11 110.673 -176.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.558 ' HA ' HD12 ' A' ' 26' ' ' ILE . 3.5 ttm-85 -81.83 -34.39 30.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.817 -0.552 . . . . 3.05 110.685 -173.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.64 -49.99 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.874 0.869 . . . . 1.03 108.753 163.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.38 -63.1 1.26 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.701 1.2 . . . . 1.97 109.058 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -53.87 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-O 118.21 -0.9 . . . . 0.81 110.715 175.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.11 -35.83 12.14 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 120.114 1.325 . . . . 0.59 111.228 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -68.2 -64.98 0.75 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.144 -0.687 . . . . 1.34 109.144 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -32.1 67.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.52 0.933 . . . . 0.9 113.52 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 -5.09 52.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.095 2.158 . . . . 0.83 110.058 -175.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 p 51.86 53.85 11.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.362 1.465 . . . . 1.97 112.892 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 tp -132.02 -152.68 0.51 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.804 1.242 . . . . 1.29 109.512 173.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.7 p -150.77 161.45 42.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.197 1.362 . . . . 1.17 110.972 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.37 -33.55 76.1 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.472 -0.299 . . . . 4.15 111.523 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -56.29 -54.66 42.76 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.43 -0.952 . . . . 5.32 108.43 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -57.93 -53.88 53.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.727 0.811 . . . . 3.1 110.265 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.1 mt -59.65 -40.61 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.014 0.526 . . . . 0.78 110.011 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -51.79 66.48 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.373 -0.602 . . . . 3.8 109.373 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.18 -48.51 88.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.142 0.977 . . . . 1.76 110.045 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -55.42 -43.82 75.68 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.694 0.759 . . . . 0.61 110.069 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.45 -40.56 91.61 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 120.789 -1.194 . . . . 1.67 111.0 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.01 -45.74 90.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.078 0.861 . . . . 3.54 110.27 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -42.42 -47.95 5.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.587 1.555 . . . . 2.7 111.818 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -58.82 2.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.881 -1.054 . . . . 5.81 111.398 -164.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 24.59 42.14 0.0 OUTLIER 'General case' 0 C--N 1.341 0.233 0 C-N-CA 128.901 2.88 . . . . 3.6 117.401 175.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 37.0 mtm 44.96 68.62 0.53 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.986 0.914 . . . . 10.9 110.172 -170.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -54.95 11.54 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 129.726 3.21 . . . . 6.02 117.293 -168.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.2 p 54.2 13.63 0.63 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.768 2.427 . . . . 7.54 113.209 -167.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -163.37 39.48 0.1 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.159 2.184 . . . . 6.55 107.852 168.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -168.89 45.96 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 128.568 2.747 . . . . 10.12 107.268 158.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -121.69 -50.9 2.06 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 129.525 3.13 . . . . 9.77 107.977 -173.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -61.27 126.56 27.79 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.06 -1.089 . . . . 10.75 108.06 168.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -68.82 152.2 45.61 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.377 -0.601 . . . . 16.12 109.377 168.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.83 -179.43 7.28 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.961 -1.126 . . . . 17.78 107.961 160.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.7 t0 52.81 66.34 1.25 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.518 1.927 . . . . 22.46 108.973 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -75.74 67.28 2.16 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 113.967 -1.47 . . . . 21.52 112.928 -159.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 m 61.22 65.72 1.83 Allowed Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 124.659 1.183 . . . . 25.33 112.4 173.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -69.68 177.13 5.83 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.458 2.105 . . . . 27.85 110.493 171.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -138.78 160.08 40.55 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 105.433 -2.062 . . . . 33.04 105.433 170.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 . . . . . 0 CA--C 1.531 0.237 0 C-N-CA 124.505 1.122 . . . . 34.9 109.644 -177.425 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 108.496 -0.928 . . . . 21.88 108.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -33.34 169.74 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 130.128 3.371 . . . . 17.76 113.848 158.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 m 72.6 95.26 0.07 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.904 1.282 . . . . 15.9 113.965 164.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -68.54 -31.62 70.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.831 -0.622 . . . . 20.64 110.459 168.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -124.56 96.98 5.1 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.977 1.311 . . . . 20.18 111.072 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.2 p 43.6 93.4 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.348 1.859 . . . . 12.09 114.385 158.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -146.92 -26.96 0.4 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.616 0.766 . . . . 11.38 112.321 -173.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.77 142.72 54.85 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.576 -1.268 . . . . 6.31 107.576 160.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -74.06 172.04 12.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.627 0.771 . . . . 2.92 110.184 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.09 134.4 42.23 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.499 -1.667 . . . . 2.59 106.499 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 165.18 24.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.403 0.621 . . . . 1.31 111.776 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -57.74 -53.41 58.49 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.556 -0.905 . . . . 4.46 108.556 172.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.86 -54.72 17.72 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.81 0.844 . . . . 1.51 110.042 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.524 ' NE2' ' CD1' ' A' ' 40' ' ' LEU . 3.1 mt-30 -53.95 -52.41 60.72 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.252 0.549 . . . . 2.8 109.617 -175.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -56.43 -49.41 74.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.381 -0.819 . . . . 0.77 110.814 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.08 69.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.522 1.055 . . . . 0.64 110.314 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.38 -48.49 76.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.604 -0.887 . . . . 2.75 108.604 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.08 -42.31 98.27 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.595 -0.691 . . . . 1.43 112.61 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -45.2 69.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.006 1.322 . . . . 4.17 111.503 168.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -51.71 63.81 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.722 -0.844 . . . . 4.43 108.722 169.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.13 -33.97 67.91 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.288 0.635 . . . . 3.63 110.237 -171.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.22 -24.39 67.86 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.921 -0.487 . . . . 1.18 111.407 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -83.98 -21.02 31.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.313 0.645 . . . . 3.17 111.369 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -54.9 4.47 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.731 -1.581 . . . . 2.76 106.731 -175.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -137.66 135.88 36.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.976 1.31 . . . . 2.19 108.914 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.46 -39.05 62.77 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.63 -0.669 . . . . 4.97 110.506 175.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -128.45 123.77 34.53 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 104.357 -2.46 . . . . 3.09 104.357 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -70.65 149.11 10.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 120.825 1.648 . . . . 1.49 112.123 177.489 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -59.49 144.63 46.66 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.234 -1.348 . . . . 0.91 108.898 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -53.1 -42.74 66.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.273 0.942 . . . . 4.11 111.555 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.86 16.2 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.945 -0.761 . . . . 4.63 108.945 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -58.74 -35.05 72.1 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.356 -0.238 . . . . 3.45 110.356 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -73.22 -40.04 65.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.856 -0.592 . . . . 2.4 111.426 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.42 -45.74 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 119.048 0.84 . . . . 1.05 109.025 171.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -63.27 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.556 1.143 . . . . 2.22 108.288 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.81 -53.18 40.53 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 124.099 0.96 . . . . 1.22 110.394 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.0 -38.73 17.72 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.865 -1.147 . . . . 0.49 110.353 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -71.02 -70.72 0.29 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.596 0.236 . . . . 1.33 110.677 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.32 80.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.78 0.832 . . . . 0.84 113.017 -170.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.45 -4.12 59.12 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.699 2.4 . . . . 1.15 109.905 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 p 52.01 63.65 2.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.677 1.591 . . . . 2.54 113.814 173.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -139.75 -175.71 4.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.105 1.362 . . . . 1.74 109.505 171.048 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 100.0 p -110.53 161.54 15.6 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 119.308 0.958 . . . . 1.17 111.695 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.88 -43.53 98.65 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.411 -0.589 . . . . 3.41 109.411 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -47.08 -58.12 4.35 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 123.991 0.917 . . . . 7.1 110.244 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -58.96 -60.48 3.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.862 -0.792 . . . . 4.38 108.862 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.08 -46.58 88.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 120.769 0.319 . . . . 0.8 110.672 -169.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -53.41 -51.73 61.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.99 0.916 . . . . 3.58 109.29 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.22 -51.37 73.34 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 120.253 -0.579 . . . . 1.7 109.879 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -51.12 -53.3 35.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.151 -0.928 . . . . 0.82 109.844 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -58.76 -39.05 79.86 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.041 0.837 . . . . 1.16 111.295 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -47.3 86.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.353 -0.61 . . . . 4.16 109.353 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -53.98 47.74 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 125.987 1.715 . . . . 3.28 111.4 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.29 -23.93 62.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 126.279 1.832 . . . . 6.17 113.083 -171.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -50.38 -38.32 41.9 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.908 -0.495 . . . . 2.93 111.377 167.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 44.2 ttm -108.01 52.99 0.7 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.224 1.009 . . . . 5.71 109.294 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -65.61 17.48 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.924 1.29 . . . . 9.19 114.089 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.0 p 45.22 40.24 4.86 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.552 1.541 . . . . 5.76 112.347 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.13 -47.05 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.023 1.329 . . . . 7.27 107.685 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -94.17 33.5 1.36 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.571 0.701 . . . . 7.5 109.559 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -95.5 -70.14 0.72 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.53 1.932 . . . . 6.83 106.924 169.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 10.81 53.58 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 129.377 3.071 . . . . 8.82 115.0 -159.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.3 t 174.84 177.85 0.14 Allowed 'General case' 0 N--CA 1.449 -0.485 1 C-N-CA 131.911 4.084 . . . . 10.8 104.845 168.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 tt -158.83 132.44 7.47 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 105.144 -2.169 . . . . 14.76 105.144 172.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -80.05 68.74 6.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.43 -1.322 . . . . 20.06 107.43 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -79.14 54.88 1.72 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.445 -0.798 . . . . 21.31 109.937 -173.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.6 t -120.21 65.82 11.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 124.855 1.262 . . . . 25.09 110.514 -172.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.73 66.58 6.63 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.004 2.469 . . . . 28.32 110.44 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.31 64.41 2.69 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.427 -0.953 . . . . 30.99 108.427 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 124.962 1.305 . . . . 35.23 108.343 -173.855 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.67 -0.863 . . . . 2.43 108.67 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.08 169.94 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.257 1.823 . . . . 1.25 108.276 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -54.67 -50.29 68.58 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.274 -0.639 . . . . 5.23 109.274 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.91 -56.95 13.95 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.55 0.74 . . . . 2.11 109.785 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.56 HE22 HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -53.87 -52.83 59.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.574 0.702 . . . . 1.48 109.671 -175.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 m -58.02 -39.04 77.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 118.092 -0.956 . . . . 0.59 110.663 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -50.04 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.519 1.509 . . . . 0.71 109.377 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.45 -45.0 89.44 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.423 0.63 . . . . 3.73 109.971 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.76 -47.98 78.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.562 0.745 . . . . 1.54 111.372 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.05 -48.97 78.48 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 3.71 111.417 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -7.62 49.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.419 0.896 . . . . 3.97 113.419 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -87.39 -39.92 14.86 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 122.195 0.998 . . . . 3.98 109.3 163.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.18 -44.3 95.79 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.756 -0.59 . . . . 1.27 110.394 -172.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -17.38 64.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.93 -0.708 . . . . 4.49 112.111 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -54.82 5.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.708 -1.219 . . . . 3.38 107.708 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -144.18 88.16 1.94 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.583 1.553 . . . . 2.56 109.251 -168.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -55.96 -24.13 36.5 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.598 -0.689 . . . . 5.3 111.396 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.19 109.8 15.85 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.457 1.903 . . . . 2.45 106.021 160.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -73.74 156.5 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.444 0.64 . . . . 1.88 109.421 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.13 147.2 53.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.069 -1.456 . . . . 1.04 107.069 167.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -61.11 -38.63 86.99 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 118.355 -1.338 . . . . 3.73 110.222 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -52.46 -55.45 21.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.967 0.349 . . . . 6.15 110.329 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -64.65 -41.53 96.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.399 -0.52 . . . . 1.96 110.039 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HG3' HD12 ' A' ' 26' ' ' ILE . 2.2 ttp-105 -62.49 -41.03 98.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.735 -0.603 . . . . 4.89 109.807 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.89 -49.17 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 118.544 0.611 . . . . 0.97 109.777 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -53.47 -63.56 1.11 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.961 0.905 . . . . 1.91 109.102 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -49.26 -53.33 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 123.636 0.774 . . . . 1.09 109.941 174.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.88 -27.31 51.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.972 -1.08 . . . . 0.98 112.23 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -80.89 -62.24 1.73 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.722 0.809 . . . . 1.38 109.994 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.81 58.44 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.987 0.915 . . . . 0.62 111.951 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -43.39 95.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.821 -1.548 . . . . 1.18 106.821 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m 74.58 72.95 0.11 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.683 2.393 . . . . 2.49 111.545 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.56 HD13 HE22 ' A' ' 12' ' ' GLN . 30.9 tp -152.72 139.55 19.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 106.01 -1.848 . . . . 1.89 106.01 166.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 154.63 41.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.465 0.913 . . . . 0.97 113.465 -159.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.64 -44.04 37.05 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.605 1.162 . . . . 3.37 110.783 172.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -50.06 73.94 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.831 1.252 . . . . 7.94 108.684 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.451 ' HG3' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -62.23 -54.18 44.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.824 -1.176 . . . . 3.42 107.824 -173.01 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mt -61.48 -39.37 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 118.586 -0.721 . . . . 0.88 110.447 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -51.53 -58.61 5.81 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 118.855 -1.138 . . . . 3.19 109.43 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.56 -42.62 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 118.461 0.573 . . . . 2.03 112.219 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.83 -52.37 66.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.454 1.101 . . . . 0.65 108.719 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.81 -39.41 90.86 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.664 -0.648 . . . . 1.59 110.643 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.93 -43.61 98.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.156 0.982 . . . . 4.36 110.005 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -52.98 61.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.727 1.211 . . . . 2.71 108.808 177.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' A' ' 52' ' ' ARG . 3.0 tpt180 -47.63 -45.03 27.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.098 1.359 . . . . 4.23 112.117 -165.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 . . . . . 0 CA--C 1.531 0.242 0 C-N-CA 125.698 1.599 . . . . 2.98 112.678 172.219 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.441 -0.882 0 N-CA-C 112.838 0.681 . . . . 2.64 112.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.6 164.59 15.3 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.572 -173.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.71 -48.66 78.28 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.492 -0.929 . . . . 5.09 108.492 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -47.57 -54.23 12.35 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.767 0.827 . . . . 1.88 109.932 170.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.58 -53.26 54.25 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 123.3 0.64 . . . . 1.43 110.36 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -58.15 -45.34 87.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 118.119 -0.943 . . . . 0.59 110.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -50.55 70.67 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.744 1.156 . . . . 0.63 109.856 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.12 -52.49 63.1 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.653 0.781 . . . . 3.67 109.404 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.88 -38.27 78.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.632 1.573 . . . . 1.27 112.71 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.72 -49.94 54.73 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.707 -1.96 . . . . 2.88 105.707 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -54.77 -48.64 72.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.629 0.772 . . . . 4.85 109.948 172.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -39.43 72.38 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.445 -0.576 . . . . 3.53 109.445 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -63.68 -39.84 95.33 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.112 -1.618 . . . . 1.32 110.67 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.44 -33.25 71.04 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.036 -0.415 . . . . 3.06 110.473 171.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -52.37 59.69 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 2.27 110.54 172.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -143.52 121.49 12.06 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.883 1.273 . . . . 2.12 109.616 -162.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -63.74 -28.96 70.24 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.869 -1.144 . . . . 4.98 111.375 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -143.26 123.77 13.99 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.418 -1.697 . . . . 2.34 106.418 167.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.4 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -68.69 152.07 9.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.106 0.479 . . . . 1.72 110.404 -178.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.77 144.38 56.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.361 -1.348 . . . . 1.03 107.361 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -54.88 -41.66 71.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.898 1.226 . . . . 4.22 110.673 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -63.21 -50.69 69.27 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.827 0.74 . . . . 7.72 110.998 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -57.58 -42.13 82.52 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 121.366 0.603 . . . . 1.87 109.713 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.4 ' HG3' HD12 ' A' ' 26' ' ' ILE . 14.8 ttm180 -65.28 -39.97 93.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 121.568 -0.707 . . . . 2.62 110.043 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.65 -49.72 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 123.288 0.635 . . . . 1.03 109.84 171.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -63.09 1.26 Allowed 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.218 -1.03 . . . . 2.03 108.218 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -50.23 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 C-N-CA 124.403 1.081 . . . . 0.79 110.358 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.6 -47.63 39.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 120.97 -1.081 . . . . 0.49 109.569 175.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -63.73 -58.27 7.4 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.184 -0.462 . . . . 1.35 110.739 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.24 -53.5 10.72 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.836 0.827 . . . . 0.83 112.08 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -22.96 67.13 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.463 1.905 . . . . 0.74 108.943 -175.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.2 m 80.81 57.67 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.524 1.93 . . . . 1.86 110.765 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tp -139.57 -177.65 5.04 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.139 1.775 . . . . 1.59 107.49 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.2 p -110.98 158.33 18.9 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 121.17 1.804 . . . . 1.15 111.537 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -52.13 61.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.108 -1.071 . . . . 3.4 108.108 175.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -49.03 -61.88 1.83 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.116 1.366 . . . . 5.56 111.503 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.23 -47.49 83.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.52 -0.548 . . . . 3.55 109.52 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.24 -46.57 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 119.189 -0.434 . . . . 0.73 109.89 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -53.4 42.18 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.579 1.081 . . . . 3.26 109.46 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.6 -41.97 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.685 0.394 . . . . 1.73 111.098 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -61.13 -48.62 80.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.978 0.511 . . . . 0.7 110.153 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.73 -28.53 67.72 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.286 -0.884 . . . . 1.21 110.765 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.28 -44.29 96.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.836 -0.54 . . . . 3.59 110.366 168.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.28 -45.59 46.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.253 1.021 . . . . 2.56 110.047 -171.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -59.82 3.25 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.012 2.125 . . . . 5.17 111.005 -173.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 CA--C 1.535 0.373 0 C-N-CA 126.614 1.966 . . . . 4.26 116.003 172.869 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 106.112 -1.811 . . . . 2.11 106.112 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.42 163.37 30.63 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.635 1.174 . . . . 1.31 108.967 172.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -56.68 -54.96 40.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.748 -0.834 . . . . 5.69 108.748 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -49.88 -55.7 13.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.138 0.575 . . . . 1.52 110.106 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG2' ' CD2' ' A' ' 38' ' ' LEU . 16.9 mt-30 -56.97 -52.28 65.87 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 110.059 -0.349 . . . . 2.45 110.059 -173.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -51.05 -50.23 59.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.391 0.677 . . . . 0.74 111.627 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -49.81 75.96 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.813 0.733 . . . . 0.85 109.245 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -35.53 79.06 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 121.852 -0.53 . . . . 2.51 110.037 -175.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.76 -36.83 84.35 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.254 0.621 . . . . 1.41 111.745 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -50.49 73.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.099 0.559 . . . . 2.53 110.139 171.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -44.9 70.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.784 -0.45 . . . . 3.91 109.784 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.16 -40.0 92.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.255 -0.278 . . . . 3.7 110.915 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.155 -0.966 . . . . 1.27 109.728 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.29 -17.63 64.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.93 -0.557 . . . . 5.96 112.448 173.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.53 -54.42 5.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.367 0.985 . . . . 2.83 108.527 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -138.97 119.3 13.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.28 1.432 . . . . 2.13 110.182 -164.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -60.31 -34.21 73.46 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.573 -0.704 . . . . 5.48 110.758 171.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -142.77 119.57 11.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.183 2.193 . . . . 3.18 106.154 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.504 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -65.4 162.92 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 118.42 0.554 . . . . 1.41 111.926 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -63.49 146.83 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.464 -1.31 . . . . 0.98 107.464 166.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -58.8 -43.88 90.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.012 0.824 . . . . 6.21 110.619 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -57.5 -51.68 68.46 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.86 -0.422 . . . . 5.41 109.86 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.89 -41.34 97.78 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.02 -0.733 . . . . 1.71 109.02 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.504 ' HG3' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.31 -44.29 92.06 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 121.724 -0.61 . . . . 2.71 111.211 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.41 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 118.443 0.565 . . . . 1.14 109.823 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.47 -63.42 1.15 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.718 0.77 . . . . 2.31 109.393 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.559 HG12 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.59 -52.77 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 125.118 1.367 . . . . 0.93 110.114 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.65 -49.35 14.48 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.35 -0.844 . . . . 0.59 109.856 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.36 -55.7 19.38 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 123.421 0.45 . . . . 2.05 111.19 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.45 22.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 0.71 111.822 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD12 HG12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -67.93 -30.07 69.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.559 1.943 . . . . 1.45 108.824 -177.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 90.79 48.03 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.31 1.844 . . . . 1.55 111.849 163.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.18 -177.82 4.3 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.031 -1.47 . . . . 1.46 107.031 170.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.1 p -100.43 156.74 17.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.519 1.963 . . . . 1.14 110.728 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -53.52 -48.32 69.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.122 0.969 . . . . 3.41 108.996 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.4 mmt-85 -59.7 -54.12 50.08 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 125.291 1.437 . . . . 7.69 110.829 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -61.6 -38.89 89.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 121.798 -0.564 . . . . 2.89 110.554 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.5 mt -57.54 -50.78 76.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.402 0.681 . . . . 0.78 109.794 172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -51.72 -49.1 63.16 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.972 -0.455 . . . . 3.68 111.011 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 118.108 0.413 . . . . 1.74 111.203 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -56.2 -49.91 72.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.55 0.74 . . . . 0.62 109.488 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -61.62 -47.39 85.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.764 -0.458 . . . . 1.42 109.764 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -53.59 -38.76 64.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.434 0.161 . . . . 3.55 111.434 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -66.18 0.55 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.853 0.861 . . . . 2.22 109.177 168.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -51.19 -35.97 38.99 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.036 0.934 . . . . 4.37 113.358 -172.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 117.914 -1.041 . . . . 3.62 111.081 173.379 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.444 -0.576 . . . . 2.27 109.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 168.64 13.09 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.003 0.521 . . . . 1.09 109.964 170.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.85 -51.33 70.47 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.306 -0.628 . . . . 5.14 109.306 171.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.64 -57.03 9.2 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 108.81 -0.811 . . . . 1.74 108.81 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.464 HE22 HD13 ' A' ' 40' ' ' LEU . 3.9 tt0 -53.83 -55.16 29.15 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 122.841 0.456 . . . . 1.59 110.197 -175.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 83.5 m -54.61 -40.91 69.37 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.276 0.63 . . . . 0.72 110.927 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -50.74 72.94 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.1 0.864 . . . . 0.74 109.169 175.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.05 -40.81 95.05 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.421 -0.511 . . . . 2.61 110.791 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.4 -37.27 85.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.795 0.838 . . . . 1.86 111.98 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -51.55 68.77 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 2.71 109.576 171.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.39 -35.58 63.02 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.086 -1.009 . . . . 5.55 110.893 172.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.31 -39.66 94.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.293 1.437 . . . . 4.18 110.573 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -47.94 79.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 106.604 -1.628 . . . . 1.56 106.604 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.2 -33.98 69.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.618 0.367 . . . . 3.41 111.22 172.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -56.59 14.27 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.845 0.748 . . . . 2.52 109.426 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -152.81 136.35 15.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.165 -1.421 . . . . 2.68 107.165 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -55.66 -31.04 62.03 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.697 0.226 . . . . 4.88 111.585 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -144.6 117.6 8.84 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 106.48 -1.674 . . . . 3.4 106.48 163.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.499 HD13 HG21 ' A' ' 26' ' ' ILE 0.268 0.0 OUTLIER -64.21 149.94 10.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 114.682 1.364 . . . . 1.85 114.682 -178.216 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -56.63 143.79 34.63 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 113.462 -1.699 . . . . 1.14 109.28 167.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -59.57 -38.46 81.21 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.846 -0.742 . . . . 4.04 111.13 -170.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -47.96 83.98 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.876 -0.73 . . . . 3.9 109.63 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -31.56 70.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.526 0.679 . . . . 1.88 109.716 -176.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HG3' HD12 ' A' ' 26' ' ' ILE . 1.8 ttm105 -76.94 -36.81 56.28 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.918 -0.489 . . . . 2.34 111.041 -175.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mt -55.72 -51.84 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.139 -0.689 . . . . 0.96 109.139 165.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.55 -63.37 1.17 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.529 1.532 . . . . 2.28 109.845 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.3 -48.25 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 123.788 0.835 . . . . 1.16 110.387 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.09 56.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.805 1.184 . . . . 0.5 110.66 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -64.66 -51.43 62.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.616 0.246 . . . . 1.48 110.36 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -56.42 4.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.329 1.061 . . . . 0.64 112.019 -175.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.23 -20.61 66.16 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.606 2.762 . . . . 1.0 109.177 -176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 m 77.65 61.13 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.262 1.825 . . . . 2.06 110.453 166.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 HE22 ' A' ' 12' ' ' GLN . 4.2 tp -142.78 -148.18 0.23 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.194 1.398 . . . . 1.52 108.17 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -145.7 148.0 32.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 119.896 1.225 . . . . 1.04 110.264 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.86 -46.93 43.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.744 2.018 . . . . 3.35 112.46 -173.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -71.71 -45.37 62.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.776 0.831 . . . . 5.88 110.246 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.58 -40.27 82.68 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.695 -0.628 . . . . 2.94 110.864 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.6 mt -55.8 -47.14 79.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.121 0.569 . . . . 0.91 109.93 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -54.08 -48.64 70.44 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.781 -0.574 . . . . 4.42 109.988 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.03 -47.02 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 118.627 -0.701 . . . . 2.02 110.712 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.29 -50.39 67.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.673 1.124 . . . . 0.82 109.685 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.6 -50.11 68.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.452 0.701 . . . . 1.46 110.508 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -55.22 -45.42 75.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.847 1.259 . . . . 3.38 110.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -61.06 2.5 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.101 1.36 . . . . 2.58 110.103 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -56.36 -47.04 79.68 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.059 0.944 . . . . 4.78 110.819 -172.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 113.547 0.943 . . . . 4.47 113.547 179.376 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.433 -1.292 0 CA-C-O 121.235 0.54 . . . . 2.36 110.201 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.08 165.77 29.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.77 1.628 . . . . 1.34 108.258 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -56.03 -51.29 68.34 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.019 -0.734 . . . . 7.68 109.019 171.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -50.92 -54.43 24.19 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.21 0.604 . . . . 2.01 110.289 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.737 ' HG2' HD22 ' A' ' 38' ' ' LEU . 9.4 mt-30 -57.62 -52.06 66.95 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 109.567 -0.531 . . . . 1.74 109.567 -173.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 m -52.06 -48.23 64.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.571 -0.741 . . . . 1.11 110.237 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -47.41 80.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.465 -0.779 . . . . 1.35 110.654 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.82 -44.54 92.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.709 1.14 . . . . 3.14 109.828 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD22 ' CE3' ' A' ' 48' ' ' TRP . 2.7 mt -54.65 -46.15 73.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.919 0.39 . . . . 1.4 111.885 176.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -46.06 85.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.797 0.839 . . . . 2.42 110.801 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -53.94 -49.81 67.85 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.147 -0.971 . . . . 3.37 109.289 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.61 -38.99 79.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.67 1.188 . . . . 3.39 110.758 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.62 -43.11 97.82 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.795 -0.565 . . . . 1.05 110.883 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -62.35 -32.05 72.78 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.866 -0.522 . . . . 2.88 110.49 173.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -47.81 79.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.699 -0.852 . . . . 2.45 108.699 176.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -165.66 154.01 11.3 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 122.763 0.425 . . . . 3.2 110.645 -172.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -82.41 -19.42 39.07 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.863 0.465 . . . . 4.22 111.442 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -137.93 125.17 21.68 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.164 1.785 . . . . 2.67 106.568 172.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.521 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -81.1 155.04 4.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 118.619 0.645 . . . . 1.77 109.834 178.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.29 146.75 53.81 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 106.744 -1.576 . . . . 1.15 106.744 169.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -63.19 -35.98 82.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 117.97 -1.492 . . . . 3.81 110.837 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -55.74 16.63 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.049 -0.722 . . . . 4.9 109.049 174.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -65.68 -39.48 91.35 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.562 -0.455 . . . . 2.2 110.483 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.521 ' HG3' HD12 ' A' ' 26' ' ' ILE . 22.3 ttm105 -64.25 -44.35 92.06 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 120.483 -1.386 . . . . 2.81 110.534 -172.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.44 -47.16 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.759 -0.46 . . . . 0.94 109.759 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.52 -62.85 1.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.769 1.628 . . . . 1.73 109.316 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -64.84 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 C-N-CA 126.698 1.999 . . . . 1.7 107.725 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.77 -45.81 14.84 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 119.8 1.182 . . . . 0.66 110.991 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -64.75 -52.54 56.45 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.653 -1.158 . . . . 1.5 110.138 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.43 75.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.821 0.448 . . . . 0.85 111.999 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.737 HD22 ' HG2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -81.74 -27.5 33.82 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 106.749 -1.574 . . . . 1.46 106.749 -163.149 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 79.97 44.81 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.867 2.067 . . . . 2.15 109.021 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.535 HD22 ' NE2' ' A' ' 12' ' ' GLN . 17.7 tp -156.66 141.49 17.02 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 108.089 -1.078 . . . . 1.71 108.089 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -77.33 155.26 32.1 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.105 0.78 . . . . 1.11 113.105 -159.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -59.1 -39.98 83.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.069 -0.715 . . . . 3.17 109.069 172.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -51.85 -58.58 6.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.108 0.963 . . . . 5.37 110.117 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -54.31 -49.81 68.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.874 0.47 . . . . 3.4 110.69 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.45 -48.19 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.833 0.853 . . . . 0.79 110.879 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -50.86 -50.97 55.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.897 0.879 . . . . 3.3 109.277 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mp -62.43 -54.98 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-O 118.203 -0.903 . . . . 1.51 109.555 173.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.43 ' CE3' HD22 ' A' ' 16' ' ' LEU . 46.0 t90 -47.89 -49.43 29.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 119.806 1.185 . . . . 0.85 110.572 -171.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 26' ' ' ILE . 16.8 m-85 -64.42 -40.18 95.26 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.546 0.738 . . . . 1.21 112.0 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -62.17 -42.1 98.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.45 1.1 . . . . 4.12 110.954 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.279 2.232 . . . . 2.98 109.605 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -46.61 -54.54 9.28 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.473 1.909 . . . . 4.0 111.278 -167.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 113.875 1.065 . . . . 2.94 113.875 -175.048 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 104.462 -2.421 . . . . 2.29 104.462 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.99 169.83 12.33 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.766 1.626 . . . . 1.57 107.489 170.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -48.96 79.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.143 -1.058 . . . . 5.87 108.143 173.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -50.94 -57.29 8.91 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 118.407 0.548 . . . . 1.53 110.378 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.609 ' NE2' HD12 ' A' ' 40' ' ' LEU . 2.3 mt-30 -54.15 -57.71 10.11 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.68 0.752 . . . . 1.77 109.032 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -53.19 -34.18 55.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.465 -1.255 . . . . 0.69 112.62 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -47.92 69.87 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 121.393 1.906 . . . . 0.8 108.601 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.5 tp10 -61.97 -40.06 94.29 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.563 0.697 . . . . 3.09 109.662 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.44 -49.71 75.74 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.094 0.957 . . . . 1.51 111.559 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.9 -57.94 3.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.409 2.284 . . . . 3.99 111.495 173.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -61.87 -44.78 96.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.206 -0.598 . . . . 3.85 111.315 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.78 -37.77 80.01 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-O 121.529 0.68 . . . . 3.89 110.221 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.39 -46.03 88.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.96 -0.462 . . . . 1.16 110.435 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.62 -34.61 69.49 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 110.514 -0.18 . . . . 2.83 110.514 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.87 -51.22 65.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.585 0.754 . . . . 2.59 110.33 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.54 110.99 0.67 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.212 1.005 . . . . 2.25 110.325 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' A' ' 24' ' ' ARG . 12.1 ptt85 -65.61 -10.47 35.95 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.216 1.406 . . . . 4.17 112.19 -173.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -125.18 95.88 4.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 105.635 -1.987 . . . . 2.82 105.635 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.578 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.21 151.01 10.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.278 -0.569 . . . . 1.83 110.688 -171.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -62.08 149.02 42.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.886 -1.153 . . . . 1.23 107.886 170.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -54.32 -49.12 70.43 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.816 0.734 . . . . 5.02 109.981 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -52.66 -57.95 8.42 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 108.863 -0.792 . . . . 4.45 108.863 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpt85 -57.33 -36.84 71.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.609 0.568 . . . . 2.32 110.24 -175.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.578 ' HG3' HD12 ' A' ' 26' ' ' ILE . 8.5 ttm180 -71.83 -49.96 33.78 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.726 -0.609 . . . . 3.24 111.261 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.13 -41.78 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 119.488 1.04 . . . . 2.09 109.16 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -63.05 1.27 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.901 1.28 . . . . 1.91 107.569 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.421 ' CD1' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.43 -51.89 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 C-N-CA 122.328 0.251 . . . . 1.25 110.667 -178.677 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.96 -38.81 24.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.142 0.428 . . . . 0.58 110.345 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.85 -68.73 0.46 Allowed 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.272 0.357 . . . . 1.47 110.18 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.36 80.13 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.138 0.975 . . . . 0.72 112.581 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 15' ' ' GLU . 2.4 tt -78.76 -15.07 58.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.522 1.529 . . . . 0.93 109.855 -178.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t 59.76 73.81 0.47 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.448 1.099 . . . . 1.79 109.933 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.609 HD12 ' NE2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -139.79 -149.54 0.29 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 106.582 -1.636 . . . . 1.41 106.582 166.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -154.19 165.06 37.44 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 120.741 1.61 . . . . 1.21 110.514 172.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.48 -46.65 66.15 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.531 1.132 . . . . 5.6 112.561 -159.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.73 -40.55 97.55 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.173 -0.677 . . . . 7.15 109.173 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.39 -50.66 73.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.923 0.889 . . . . 4.05 109.238 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.61 -45.34 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 0.73 110.552 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.88 -51.36 61.43 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.236 -1.024 . . . . 3.75 108.236 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.2 -46.19 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.656 0.782 . . . . 2.06 111.274 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -58.83 -51.37 70.3 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 118.898 0.772 . . . . 0.65 109.195 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.96 -33.75 76.53 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.542 1.137 . . . . 1.36 111.805 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -61.47 -47.9 83.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.567 0.747 . . . . 4.12 109.603 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.87 -44.44 69.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.127 1.371 . . . . 2.41 108.782 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 tpt85 -49.31 -39.42 31.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.322 2.649 . . . . 4.32 112.413 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 124.065 0.946 . . . . 2.97 112.153 176.162 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--O 1.231 0.098 0 N-CA-C 108.324 -0.991 . . . . 2.06 108.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.48 163.42 23.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.772 0.796 . . . . 1.17 112.224 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -54.51 -47.97 72.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.596 -0.729 . . . . 5.38 109.273 169.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -63.48 -45.65 89.76 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-O 118.858 -0.592 . . . . 2.81 110.168 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.574 ' NE2' HD13 ' A' ' 40' ' ' LEU . 7.1 mt-30 -53.84 -51.04 64.84 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.114 -0.699 . . . . 1.48 109.114 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -59.83 -44.44 94.04 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.251 0.621 . . . . 0.72 111.597 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -47.68 81.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.396 0.998 . . . . 0.8 110.032 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.457 ' HG2' ' HG ' ' A' ' 38' ' ' LEU . 37.7 tp10 -53.92 -48.77 69.85 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 124.365 1.066 . . . . 2.91 108.207 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -42.17 98.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.826 0.85 . . . . 1.22 112.139 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.59 -46.6 78.76 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.88 -1.137 . . . . 2.91 111.452 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -32.29 73.88 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.836 -1.165 . . . . 3.3 110.245 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.58 -37.89 79.71 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 121.327 -0.858 . . . . 3.58 110.451 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.77 94.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.782 -1.192 . . . . 1.74 107.782 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.51 -34.93 73.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 122.016 -0.428 . . . . 2.88 111.297 172.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.9 -44.71 92.18 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.82 0.848 . . . . 2.08 109.736 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -170.45 148.39 3.13 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.598 1.159 . . . . 3.0 109.209 -175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -69.15 -29.94 68.07 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.446 -0.784 . . . . 4.64 111.163 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.47 141.84 28.71 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.457 1.503 . . . . 3.32 107.044 171.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.557 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -87.88 162.02 2.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.547 0.689 . . . . 1.48 112.615 -165.74 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.65 146.2 55.1 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.104 -1.443 . . . . 1.28 107.104 165.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -63.89 -36.05 82.67 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 118.544 -1.263 . . . . 4.55 110.762 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -54.82 -52.17 63.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.322 0.51 . . . . 4.84 110.406 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.66 -45.48 86.56 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.113 -0.699 . . . . 2.23 109.113 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HG3' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -59.31 -40.9 87.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.126 -0.359 . . . . 2.79 110.731 -177.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.58 -46.75 94.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 123.287 0.635 . . . . 1.32 110.366 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -63.03 1.28 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.55 -0.907 . . . . 2.31 108.55 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.431 HG23 HD12 ' A' ' 38' ' ' LEU . 1.7 mm -40.14 -67.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 125.835 1.654 . . . . 1.27 110.542 169.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.82 -42.5 7.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.161 -0.962 . . . . 0.99 111.685 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -69.57 -45.7 68.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.67 0.388 . . . . 1.81 111.654 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.99 -51.04 5.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.881 1.324 . . . . 1.11 110.414 -172.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HG ' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -69.37 -14.29 62.83 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 128.227 2.611 . . . . 1.1 109.867 -177.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m 66.91 37.36 4.0 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 124.793 1.237 . . . . 1.75 111.603 165.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD13 ' NE2' ' A' ' 12' ' ' GLN . 4.8 tp -117.69 -163.96 0.97 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.649 -0.871 . . . . 1.21 108.649 163.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -144.2 148.82 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.933 1.242 . . . . 1.06 110.826 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -48.56 -49.16 37.6 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 123.596 0.758 . . . . 3.38 112.777 -171.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -56.76 -47.99 78.85 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 123.905 0.882 . . . . 4.92 110.777 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -48.9 79.93 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.291 1.036 . . . . 4.55 108.387 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -64.08 -46.92 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 124.971 1.309 . . . . 0.83 110.355 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -51.79 -53.0 44.75 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.94 -0.763 . . . . 4.6 108.94 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.64 -46.71 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.103 0.561 . . . . 1.61 110.414 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -55.56 -50.53 69.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.156 0.889 . . . . 0.75 109.812 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -56.67 -48.51 77.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.486 -0.561 . . . . 1.34 109.486 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -49.86 -55.01 15.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.035 0.834 . . . . 4.82 109.615 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.37 -46.13 46.76 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 125.906 1.682 . . . . 2.65 111.325 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.62 62.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.497 1.519 . . . . 4.65 110.9 -171.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? . . . . . 0 N--CA 1.469 0.513 0 C-N-CA 124.461 1.104 . . . . 4.58 111.863 -176.825 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.434 -1.254 0 CA-C-O 121.57 0.7 . . . . 2.6 111.296 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.63 170.75 15.33 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.718 1.607 . . . . 1.26 108.319 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.17 -56.16 20.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.605 -0.887 . . . . 3.99 108.605 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.41 -55.5 18.34 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.033 0.533 . . . . 1.51 110.004 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.568 HE22 HD13 ' A' ' 40' ' ' LEU . 2.0 tt0 -53.97 -52.48 60.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.912 0.387 . . . . 1.45 110.697 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 m -58.87 -43.48 90.87 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.611 -0.709 . . . . 0.7 110.697 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.32 90.0 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.808 1.185 . . . . 0.68 109.295 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -53.82 -54.79 33.44 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.094 -1.076 . . . . 3.51 108.094 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.78 -33.68 73.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.828 1.651 . . . . 1.19 112.594 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -51.64 30.81 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.927 -1.138 . . . . 2.32 107.927 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 51.31 0.89 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.794 1.283 . . . . 3.47 111.236 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG3' ' CD1' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -156.45 -38.81 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 129.759 3.224 . . . . 3.11 105.609 -172.22 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -63.15 -33.57 75.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.708 -1.245 . . . . 0.92 109.408 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.18 -30.9 71.45 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.963 -1.086 . . . . 3.54 111.337 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -64.99 -61.41 2.17 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.422 1.489 . . . . 2.07 110.044 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.63 108.08 0.09 Allowed 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.292 1.037 . . . . 2.47 109.019 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -56.31 23.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 121.371 0.605 . . . . 6.96 110.88 -168.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -78.07 90.55 4.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.609 -1.626 . . . . 2.44 106.609 167.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.553 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -63.56 151.09 9.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.884 0.373 . . . . 1.76 110.856 -171.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -57.48 144.31 37.26 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 107.428 -1.323 . . . . 1.2 107.428 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -56.82 -43.85 81.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.372 0.987 . . . . 7.53 110.195 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -61.53 -47.7 84.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.625 -0.43 . . . . 6.29 110.157 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -60.41 -43.74 96.41 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 109.509 -0.552 . . . . 2.17 109.509 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HG3' HD12 ' A' ' 26' ' ' ILE . 11.9 ttm180 -63.77 -41.95 97.89 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.771 -0.581 . . . . 2.71 109.457 -175.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.44 -49.49 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.655 0.661 . . . . 1.29 110.243 172.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -63.0 1.29 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.361 1.064 . . . . 2.0 108.134 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -53.63 -53.53 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 124.348 1.059 . . . . 1.04 110.74 178.328 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.44 18.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.952 0.796 . . . . 0.68 110.138 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.66 -69.5 0.32 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.706 -0.679 . . . . 1.24 110.381 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.02 79.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.172 0.989 . . . . 0.52 112.853 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 -8.35 59.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.274 1.83 . . . . 0.86 110.078 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 51.99 63.93 2.05 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.449 1.499 . . . . 1.95 113.016 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.568 HD13 HE22 ' A' ' 12' ' ' GLN . 15.4 tp -147.02 157.53 43.64 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.548 -0.908 . . . . 1.61 108.548 166.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 p -83.02 147.87 27.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.36 0.982 . . . . 1.0 109.988 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -39.83 90.9 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 124.856 1.262 . . . . 4.71 110.65 -175.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.53 -51.81 67.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.505 0.722 . . . . 5.33 109.826 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.58 -42.95 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.835 0.854 . . . . 4.06 109.983 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.57 -51.98 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.163 1.385 . . . . 0.88 110.418 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -51.06 -48.33 61.59 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.004 0.82 . . . . 3.29 108.817 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.17 -48.42 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 118.248 -0.882 . . . . 1.95 110.469 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -54.15 -48.56 70.74 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.044 1.293 . . . . 0.57 110.957 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 26' ' ' ILE . 42.9 m-85 -70.42 -19.06 63.02 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.547 -0.721 . . . . 1.32 111.864 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -55.87 10.4 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.835 -0.802 . . . . 3.89 108.835 163.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -55.48 8.6 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.636 1.974 . . . . 2.25 111.784 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -50.73 8.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.568 1.947 . . . . 5.09 111.136 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 112.998 0.74 . . . . 4.11 112.998 178.738 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.438 -1.036 0 N-CA-C 105.373 -2.084 . . . . 2.44 105.373 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.67 169.69 17.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.606 1.162 . . . . 1.78 108.092 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -58.0 -54.61 44.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.697 -0.853 . . . . 5.5 108.697 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -49.95 -54.57 19.01 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.868 0.867 . . . . 1.88 110.062 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.465 ' NE2' HD13 ' A' ' 40' ' ' LEU . 1.2 tt0 -53.74 -62.57 1.57 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 119.146 -0.454 . . . . 4.34 110.488 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.2 m -46.74 -44.16 18.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.495 -0.764 . . . . 1.02 111.165 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -53.48 57.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.705 1.138 . . . . 0.79 109.828 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.61 -45.66 81.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.351 1.072 . . . . 3.13 110.301 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.33 -32.12 73.6 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.86 2.064 . . . . 1.63 111.684 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -43.56 63.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.678 1.126 . . . . 2.4 108.564 176.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -50.26 67.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.879 0.847 . . . . 4.24 109.199 171.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.18 -34.0 72.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.877 0.871 . . . . 3.6 112.343 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.84 -50.38 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.458 -0.777 . . . . 1.0 110.004 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -54.37 -37.05 64.54 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.949 0.499 . . . . 3.66 110.405 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -63.63 -61.47 2.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.988 0.515 . . . . 2.4 110.322 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -155.07 105.52 2.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 123.919 0.887 . . . . 2.78 109.349 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' A' ' 24' ' ' ARG . 10.9 ptt85 -63.18 -8.66 8.53 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.474 1.11 . . . . 4.28 111.724 -175.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -135.32 91.05 2.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.265 2.226 . . . . 3.13 105.064 167.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.571 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -67.36 149.13 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.438 -0.788 . . . . 1.83 109.881 -173.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.81 149.58 46.61 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.953 -1.023 . . . . 0.98 108.694 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 -55.17 -47.01 75.76 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 120.866 1.666 . . . . 4.68 110.354 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -56.07 -51.4 68.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.96 -0.385 . . . . 5.11 109.96 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.77 85.92 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.634 -0.506 . . . . 2.5 109.634 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.571 ' HG3' HD12 ' A' ' 26' ' ' ILE . 7.0 ttm180 -60.76 -43.69 97.69 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.758 0.823 . . . . 2.5 110.214 -174.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.4 -45.73 85.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 O-C-N 121.513 -0.742 . . . . 1.27 110.227 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.8 -63.04 1.28 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.999 -0.741 . . . . 1.94 108.999 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -61.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 126.099 1.76 . . . . 1.22 108.215 175.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.36 -42.84 32.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.92 0.782 . . . . 0.63 111.143 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -63.03 -55.93 21.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.539 -0.541 . . . . 1.54 109.539 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.35 70.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.174 0.59 . . . . 0.63 112.334 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -4.9 58.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.448 1.099 . . . . 1.11 108.325 -171.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.5 t 62.39 43.22 8.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.134 1.774 . . . . 1.99 112.011 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD13 ' NE2' ' A' ' 12' ' ' GLN . 8.5 tp -134.27 -147.89 0.3 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.983 1.313 . . . . 1.74 111.477 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.4 p -153.34 156.26 38.0 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.092 -1.005 . . . . 1.12 111.822 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.52 -45.29 77.13 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.251 1.02 . . . . 3.48 110.064 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.56 -54.02 46.83 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.583 1.153 . . . . 7.83 110.765 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -57.35 -50.86 71.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.35 0.66 . . . . 2.87 109.78 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.17 -44.95 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.82 110.618 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -51.07 61.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.1 0.56 . . . . 4.57 109.75 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -58.12 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 118.166 -0.921 . . . . 1.53 110.12 173.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -47.64 -48.2 28.86 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.306 -0.627 . . . . 0.71 109.306 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -54.73 32.52 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.421 1.488 . . . . 1.49 111.476 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -49.87 -46.7 51.79 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.569 0.622 . . . . 3.56 110.342 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -56.48 21.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.478 1.911 . . . . 3.57 110.592 174.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -44.46 -40.02 5.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.865 1.666 . . . . 4.16 114.641 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 2.95 112.23 177.781 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 105.286 -2.116 . . . . 2.96 105.286 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.65 163.74 20.77 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.221 -0.592 . . . . 1.05 111.058 167.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.68 -53.52 53.82 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.889 -0.782 . . . . 3.82 108.889 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.85 -48.35 75.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.156 -0.475 . . . . 2.44 110.016 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG2' HD22 ' A' ' 38' ' ' LEU . 30.0 mt-30 -56.43 -55.18 36.77 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.34 -0.985 . . . . 2.3 108.34 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -51.22 -48.85 61.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.641 0.655 . . . . 0.6 112.162 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -47.81 82.23 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.551 -0.718 . . . . 0.73 109.498 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -62.31 -41.75 98.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.447 0.699 . . . . 2.77 110.359 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.3 -38.04 79.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.716 1.207 . . . . 2.02 110.927 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -41.68 77.41 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.247 -1.533 . . . . 3.18 108.525 175.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -59.8 -35.45 74.7 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.855 -1.153 . . . . 3.35 111.22 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -62.49 -41.06 98.54 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.972 1.709 . . . . 4.08 110.35 172.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.04 -46.11 89.08 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.396 -1.335 . . . . 1.43 107.396 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -39.42 79.18 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.507 0.723 . . . . 5.3 111.527 171.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -63.67 -37.69 88.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.207 1.003 . . . . 2.03 108.679 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.449 ' ND2' HG23 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -178.21 119.43 0.09 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.822 1.649 . . . . 2.81 108.431 -175.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -56.38 -40.13 74.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.325 -0.369 . . . . 4.69 110.44 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -118.77 101.06 7.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.447 1.099 . . . . 4.66 108.484 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.449 HG23 ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.6 143.16 15.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.306 0.642 . . . . 2.87 110.337 175.588 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -57.31 152.55 13.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.755 -0.657 . . . . 0.91 109.407 161.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -56.36 -41.23 75.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.957 -0.697 . . . . 4.03 110.243 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -50.99 71.21 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.459 0.572 . . . . 3.94 111.106 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -59.58 -39.93 85.75 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.359 0.599 . . . . 2.06 109.653 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -64.7 -43.47 93.38 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.396 -0.366 . . . . 3.08 111.457 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -59.19 -49.02 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.29 0.636 . . . . 1.23 109.708 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.81 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 126.445 1.898 . . . . 2.06 108.75 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 38' ' ' LEU . 1.1 mt -54.03 -55.77 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.87 0.868 . . . . 1.19 110.787 173.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.25 18.9 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.922 1.237 . . . . 0.56 110.807 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -67.37 -59.36 3.46 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.349 0.66 . . . . 1.78 110.692 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.27 13.76 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.552 1.168 . . . . 0.61 111.298 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 ' HG2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -68.5 -15.14 63.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.277 2.231 . . . . 0.99 109.54 -175.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.7 m 75.34 51.99 0.07 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.474 1.509 . . . . 2.39 111.478 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.19 -178.98 5.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.25 -0.278 . . . . 2.86 110.25 173.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.56 135.57 48.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.597 0.237 . . . . 1.49 110.56 -173.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.12 -50.29 8.63 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.596 1.558 . . . . 4.53 112.422 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -40.45 89.76 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.135 -0.978 . . . . 9.02 111.236 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.8 -45.26 95.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 122.105 0.955 . . . . 3.09 109.983 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -47.37 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 C-N-CA 125.127 1.371 . . . . 1.94 109.244 172.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -52.99 -53.68 46.35 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.588 -0.893 . . . . 3.99 108.588 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.5 mt -59.18 -42.61 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 122.793 0.437 . . . . 2.12 110.625 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -55.8 -55.49 31.77 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.843 0.457 . . . . 0.57 110.276 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.41 -48.89 76.02 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.272 1.429 . . . . 1.25 110.227 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -46.99 80.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.474 1.11 . . . . 3.87 109.367 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -59.51 4.68 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.437 -1.32 . . . . 2.5 107.437 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -51.22 -45.7 62.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.943 1.297 . . . . 4.73 110.73 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.347 0.467 0 C-N-CA 126.817 2.047 . . . . 4.48 114.784 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 106.602 -1.629 . . . . 2.42 106.602 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 168.78 19.33 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.893 2.077 . . . . 1.23 105.876 173.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.98 46.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.487 -0.931 . . . . 5.1 108.487 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -56.25 7.94 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 124.025 0.93 . . . . 2.69 110.528 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -55.87 25.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.834 0.349 . . . . 1.9 110.669 -173.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -55.02 -45.08 75.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.284 -0.865 . . . . 0.69 111.206 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -51.48 65.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 119.925 1.238 . . . . 1.01 110.227 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -55.56 -52.97 61.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.824 0.821 . . . . 3.26 109.094 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.2 -35.76 74.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.755 -0.657 . . . . 1.17 112.722 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -38.43 71.62 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.698 0.681 . . . . 2.36 109.723 178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.68 -47.83 81.22 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.441 -0.787 . . . . 5.45 110.111 169.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.59 -41.02 80.34 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 122.727 1.251 . . . . 3.35 111.199 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -63.39 -37.84 88.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 1.21 110.588 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.96 -27.38 68.8 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.752 -0.593 . . . . 2.96 110.963 170.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -52.57 60.19 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.555 -0.905 . . . . 2.25 108.555 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.449 HD21 ' HB ' ' A' ' 26' ' ' ILE . 15.6 p30 -168.66 166.19 11.89 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 2.92 110.084 -170.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -96.35 3.62 52.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.427 1.091 . . . . 5.44 111.725 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -171.71 88.48 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.613 1.565 . . . . 3.41 108.265 -167.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -89.39 140.93 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.249 -1.019 . . . . 2.06 108.249 -173.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -56.02 151.23 12.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.732 0.696 . . . . 1.19 110.959 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.421 0.555 . . . . 4.96 110.425 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.79 85.02 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.752 0.706 . . . . 3.99 109.853 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.63 -32.71 74.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.426 0.69 . . . . 3.23 110.06 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -77.71 -35.58 51.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.425 1.09 . . . . 3.14 111.087 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.9 -46.37 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 0.96 108.71 169.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.53 -63.2 1.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.106 1.763 . . . . 1.89 109.034 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.12 -52.73 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 123.434 0.693 . . . . 1.05 111.071 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.52 -41.02 28.79 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.545 1.066 . . . . 0.53 110.595 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.19 -54.64 11.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.481 -0.327 . . . . 1.69 110.72 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.83 67.21 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 0.72 111.755 -175.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -42.21 86.36 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.027 1.731 . . . . 1.13 108.663 -175.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t 95.61 72.35 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.556 2.743 . . . . 1.58 110.102 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 tp -158.59 -162.34 1.1 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.293 1.437 . . . . 1.46 108.055 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.0 p -133.74 156.96 47.02 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 120.707 1.594 . . . . 1.03 112.347 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.51 -32.79 72.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 4.03 111.57 -173.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -64.38 -51.7 61.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.557 -1.339 . . . . 5.74 109.947 172.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.57 -51.29 67.92 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.959 1.304 . . . . 2.94 109.458 -172.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -58.62 -47.12 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 124.19 0.996 . . . . 1.04 110.652 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -55.83 -46.34 78.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 118.743 -0.646 . . . . 4.78 111.337 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.6 mt -54.86 -56.94 8.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 118.721 0.692 . . . . 1.99 109.309 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -49.86 -47.12 51.96 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.969 -0.539 . . . . 0.49 109.95 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.08 -58.13 10.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.247 0.619 . . . . 1.47 110.761 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -48.51 -43.72 35.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.065 0.946 . . . . 3.61 110.897 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -65.34 0.71 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.85 1.66 . . . . 3.24 110.149 172.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.7 tpt85 -51.85 -39.38 58.79 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.829 2.052 . . . . 4.28 114.184 -173.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 113.92 1.082 . . . . 5.6 113.92 -168.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.437 -1.098 0 CA-C-O 120.746 0.307 . . . . 2.29 110.792 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 161.09 29.86 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 1.44 111.671 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -57.83 -51.05 71.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.445 -0.946 . . . . 5.23 108.445 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.41 -47.72 62.87 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 123.451 0.7 . . . . 2.16 110.23 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.59 -56.32 18.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.061 -0.718 . . . . 1.39 109.061 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 m -56.58 -47.63 79.13 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.981 0.512 . . . . 0.63 111.403 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -48.63 79.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.113 0.565 . . . . 0.99 109.901 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -54.24 -43.32 70.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.278 1.431 . . . . 3.04 109.163 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.22 -42.11 84.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.54 1.136 . . . . 1.12 112.486 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -36.57 70.0 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.4 -1.333 . . . . 3.11 107.4 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -59.28 -48.58 81.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.731 -1.231 . . . . 3.05 110.045 170.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -56.6 -36.23 69.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.986 -1.071 . . . . 3.22 111.612 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.38 -42.76 98.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.273 -0.876 . . . . 1.01 109.043 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.76 -25.62 66.63 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 119.09 -0.481 . . . . 2.94 111.631 170.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -58.63 6.29 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 107.972 -1.121 . . . . 2.22 107.972 175.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -158.89 135.51 9.41 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.652 -1.61 . . . . 3.69 106.652 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -60.72 -19.77 59.58 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.408 0.549 . . . . 6.03 110.987 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -133.99 97.42 3.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.452 1.901 . . . . 2.65 109.617 168.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.34 155.07 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 109.004 -0.739 . . . . 2.45 109.004 165.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.75 152.92 37.98 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.429 0.691 . . . . 1.02 110.647 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.54 -52.34 65.96 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.329 -0.857 . . . . 6.19 109.911 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -40.8 -55.95 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.99 1.316 . . . . 3.71 110.129 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -70.09 -38.65 75.74 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 119.658 -0.817 . . . . 2.5 109.941 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm105 -59.82 -47.99 83.47 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.714 1.143 . . . . 4.45 111.736 -172.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.39 -56.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 122.211 1.005 . . . . 2.14 109.381 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.09 -63.05 1.27 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.179 2.592 . . . . 3.47 109.026 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -59.36 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 126.244 1.817 . . . . 1.35 108.773 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.19 -38.85 63.2 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 119.396 0.998 . . . . 0.95 110.717 -173.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.09 -60.41 3.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.169 0.918 . . . . 2.29 108.686 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.75 67.7 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.56 0.948 . . . . 0.88 113.56 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 -4.18 53.7 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 1.01 109.147 -170.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.61 40.5 4.46 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.487 1.515 . . . . 2.65 112.449 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -121.29 -140.3 0.33 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 107.68 -1.23 . . . . 1.55 107.68 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 p -151.61 168.45 24.91 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 120.773 1.624 . . . . 1.17 109.437 169.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -65.65 -39.21 91.14 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.249 1.024 . . . . 3.49 109.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -59.51 5.23 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.641 0.776 . . . . 9.05 109.018 171.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.53 -39.92 92.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.098 -0.477 . . . . 3.33 111.554 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.91 -54.61 32.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 N-CA-C 108.596 -0.89 . . . . 0.96 108.596 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -51.43 -49.02 62.48 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.546 0.612 . . . . 4.86 110.907 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.4 mt -63.19 -42.94 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.314 0.645 . . . . 1.77 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -59.03 -49.57 77.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.417 0.687 . . . . 0.6 110.114 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.59 -53.97 51.36 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.291 -1.003 . . . . 1.11 108.291 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -47.05 -54.22 10.81 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.778 -0.453 . . . . 3.64 109.778 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.78 -45.65 89.35 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.664 1.186 . . . . 2.84 108.861 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -83.74 -5.58 59.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.102 1.361 . . . . 5.4 112.091 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 . . . . . 0 CA--C 1.508 -0.662 0 N-CA-C 106.175 -1.787 . . . . 3.6 106.175 158.913 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 . . . . . 0 C--O 1.237 0.412 0 CA-C-O 122.162 0.982 . . . . 3.12 113.462 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.55 157.23 37.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.655 -0.702 . . . . 1.59 110.205 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -54.12 -52.22 61.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.386 -0.968 . . . . 4.61 108.386 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -52.79 -45.94 67.41 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.494 0.496 . . . . 2.47 110.623 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.01 -57.83 9.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.173 0.511 . . . . 1.48 110.528 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -60.3 -46.49 89.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 119.207 -0.425 . . . . 0.63 111.252 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -47.84 80.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.881 0.764 . . . . 0.62 109.216 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.1 -53.28 55.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.638 1.175 . . . . 3.04 108.572 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.346 0.658 . . . . 1.27 112.636 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.13 -47.74 64.27 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 121.02 -1.05 . . . . 2.57 108.863 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -62.9 -35.66 80.79 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.999 -1.063 . . . . 3.06 111.863 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -54.08 -49.37 69.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.468 1.107 . . . . 3.73 108.783 171.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -63.69 -42.48 98.0 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.072 0.549 . . . . 1.61 110.912 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.82 -31.11 72.04 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.03 0.532 . . . . 3.3 110.808 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.86 -50.58 68.28 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.234 -1.025 . . . . 2.83 108.234 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -169.39 162.61 10.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.632 -1.247 . . . . 2.25 107.632 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -87.66 5.91 37.35 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.767 1.025 . . . . 5.87 113.767 -170.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 177.14 104.23 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.32 1.418 . . . . 2.96 107.841 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.3 173.85 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 2.79 109.884 -161.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.26 144.39 55.65 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 119.34 0.973 . . . . 1.74 108.877 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -57.17 -44.73 83.8 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.073 0.852 . . . . 4.53 110.021 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' NH1' ' HB2' ' A' ' 33' ' ' ASP . 21.5 tpt85 -49.33 -51.72 32.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.025 0.375 . . . . 4.13 110.477 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -71.99 -35.73 69.56 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.508 0.505 . . . . 2.3 111.086 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -34.32 65.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.532 -1.355 . . . . 6.28 109.815 -177.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -59.2 -53.24 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 107.944 -1.132 . . . . 1.14 107.944 165.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.538 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.8 t70 -53.85 -62.99 1.29 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 105.625 -1.991 . . . . 2.51 105.625 -167.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 126.528 1.931 . . . . 0.85 108.957 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.91 52.79 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.894 0.77 . . . . 0.67 110.164 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -62.49 -36.39 82.35 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.057 -0.974 . . . . 2.55 110.407 -175.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.38 26.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 0.85 112.628 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -28.84 26.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.199 0.999 . . . . 0.89 108.616 -163.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t 79.55 41.12 0.08 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.629 1.571 . . . . 2.19 111.486 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.4 159.94 26.49 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 105.389 -2.078 . . . . 1.64 105.389 163.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.7 p -85.02 162.8 19.2 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 119.234 -0.987 . . . . 1.6 110.743 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.67 55.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.915 -0.772 . . . . 2.92 108.915 174.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.61 88.18 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.521 1.129 . . . . 6.04 108.977 -176.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.03 -44.55 88.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.862 -0.589 . . . . 3.25 110.899 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.8 mt -59.06 -49.62 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 119.313 0.96 . . . . 0.96 110.537 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -46.62 -56.09 6.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.007 -0.433 . . . . 3.63 110.459 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.34 -40.25 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.173 0.442 . . . . 2.02 111.738 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -58.69 -53.27 60.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.091 0.956 . . . . 0.58 108.784 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -58.37 -49.23 77.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.42 -0.355 . . . . 1.17 110.57 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 53.3 tt0 -55.73 -37.05 67.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.028 0.931 . . . . 4.23 110.778 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -69.61 -42.76 73.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.782 0.833 . . . . 2.62 109.984 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -53.21 50.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.864 0.866 . . . . 5.21 109.638 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.411 ' CD ' ' HA ' ' A' ' 50' ' ' GLN . 7.1 ptm85 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 115.385 1.624 . . . . 3.57 115.385 -166.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 110.072 -0.344 . . . . 2.79 110.072 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.45 163.75 31.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.745 2.418 . . . . 0.92 105.791 170.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -54.29 -51.34 64.91 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.271 -0.64 . . . . 4.68 109.271 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.27 -54.34 21.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.994 0.918 . . . . 1.64 110.172 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -56.66 15.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.503 0.321 . . . . 2.09 110.974 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -53.79 -41.94 67.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.538 -0.744 . . . . 0.72 111.106 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -50.11 74.93 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.516 1.053 . . . . 0.59 109.518 177.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -57.69 -45.16 86.04 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.235 0.47 . . . . 3.11 110.002 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.88 -42.0 99.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.076 0.95 . . . . 1.18 112.538 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.25 -54.12 47.49 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.1 -1.0 . . . . 3.72 109.904 170.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -56.12 -39.14 71.75 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 122.2 -0.313 . . . . 4.71 111.305 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.593 ' OE2' HD11 ' A' ' 26' ' ' ILE . 10.1 tt0 -53.95 -35.64 61.96 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.145 1.378 . . . . 4.19 111.077 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -63.68 -25.8 68.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 122.55 0.34 . . . . 1.12 110.688 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -84.17 -21.1 31.42 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.302 1.041 . . . . 3.19 111.22 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.85 -38.47 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.417 -0.957 . . . . 2.71 108.417 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 p30 173.7 174.55 0.15 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.964 2.506 . . . . 2.34 106.803 161.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -72.26 -14.46 61.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.277 0.843 . . . . 5.14 113.277 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -175.68 109.04 0.1 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 107.539 -1.282 . . . . 4.14 107.539 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.593 HD11 ' OE2' ' A' ' 19' ' ' GLU 0.271 0.0 OUTLIER -73.33 146.1 10.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 119.101 -1.039 . . . . 1.65 113.718 -168.388 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -56.36 143.87 32.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 112.867 -1.969 . . . . 1.59 109.289 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -61.34 -34.18 74.85 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.044 -0.662 . . . . 4.53 111.541 -169.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.97 -48.75 80.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.511 0.596 . . . . 4.99 109.808 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -36.38 74.8 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 122.773 1.273 . . . . 2.31 109.097 -174.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.528 ' HA ' HD12 ' A' ' 26' ' ' ILE . 11.2 ttm180 -72.2 -35.39 68.91 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.085 -0.961 . . . . 2.37 110.212 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.07 -44.76 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.466 0.575 . . . . 1.27 109.851 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -63.5 1.13 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.49 -0.559 . . . . 1.81 109.49 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 122.972 0.509 . . . . 0.82 110.548 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.58 -39.32 23.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.301 0.955 . . . . 0.55 110.447 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -65.72 -58.88 4.64 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.838 0.29 . . . . 1.13 110.333 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.01 47.01 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.754 0.787 . . . . 0.56 112.442 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -19.82 65.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.961 2.104 . . . . 0.81 108.326 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m 74.4 39.43 0.47 Allowed 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 127.128 2.171 . . . . 2.38 110.843 171.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 40' ' ' LEU . 7.1 tp -120.28 -160.93 0.85 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.317 1.847 . . . . 1.48 109.3 -176.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.06 138.48 49.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.701 1.137 . . . . 1.16 112.075 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -49.55 -45.92 48.17 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.681 1.992 . . . . 3.11 112.31 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -56.07 -50.48 70.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.439 1.495 . . . . 5.74 110.528 170.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.401 HE21 ' C ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -58.86 -43.24 90.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.104 0.562 . . . . 3.86 109.505 -177.185 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.56 -48.63 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.706 -0.479 . . . . 0.94 109.706 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -48.0 -53.11 17.26 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.254 0.479 . . . . 3.39 110.442 175.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.36 -56.81 11.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 CA-C-O 118.755 -0.64 . . . . 1.73 109.588 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -52.2 -46.48 65.63 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.294 0.497 . . . . 0.68 110.194 -170.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -62.8 -47.53 83.03 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.529 0.332 . . . . 1.25 111.542 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -56.08 -45.63 79.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 3.79 110.6 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -60.7 3.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.394 1.878 . . . . 3.07 109.497 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -49.49 -41.91 41.99 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.361 1.464 . . . . 4.1 111.072 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 . . . . . 0 CA--C 1.531 0.248 0 C-N-CA 124.8 1.24 . . . . 3.69 114.346 170.179 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 106.458 -1.682 . . . . 2.28 106.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.77 162.82 27.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.888 0.375 . . . . 1.02 110.051 158.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -55.88 -44.38 78.11 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.622 -0.51 . . . . 5.29 109.622 171.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.71 -52.02 66.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.616 0.573 . . . . 1.94 110.234 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.463 ' HG2' HD22 ' A' ' 38' ' ' LEU . 15.7 mt-30 -54.3 -46.43 72.78 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.746 -0.464 . . . . 2.12 109.746 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -57.46 -53.2 60.86 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.369 -0.824 . . . . 0.55 110.952 174.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -48.69 68.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.813 1.188 . . . . 0.6 110.528 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.595 ' CG ' HD11 ' A' ' 38' ' ' LEU . 11.4 tp10 -58.09 -50.25 74.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.391 0.676 . . . . 2.6 109.75 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.36 -37.95 76.25 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.689 0.796 . . . . 1.2 112.35 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -56.8 12.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.021 -1.844 . . . . 2.87 106.021 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.16 73.36 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 119.868 -0.733 . . . . 4.01 111.961 173.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -54.75 -34.08 62.07 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 121.067 -1.021 . . . . 3.46 111.538 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.83 -39.23 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.898 -1.047 . . . . 1.25 108.931 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -81.68 -20.43 39.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.898 0.479 . . . . 6.16 111.275 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -51.26 64.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.695 -1.224 . . . . 2.66 107.695 168.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -147.71 119.35 8.01 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.848 0.859 . . . . 2.6 109.007 -173.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -53.94 -34.5 59.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.446 0.298 . . . . 5.58 111.064 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -141.25 129.62 22.42 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 105.696 -1.964 . . . . 2.74 105.696 158.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -90.18 138.05 20.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 C-N-CA 124.336 1.054 . . . . 2.24 109.032 -165.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -54.09 144.56 19.19 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.015 -0.735 . . . . 0.87 109.015 -172.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -56.38 -35.85 68.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.369 0.986 . . . . 4.03 111.329 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -58.26 -54.45 46.8 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.934 0.788 . . . . 6.63 110.203 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HG3' HD12 ' A' ' 26' ' ' ILE . 31.2 tpt180 -58.26 -39.72 79.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.991 0.424 . . . . 1.84 110.255 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.7 ttp85 -74.14 -36.6 64.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.975 -1.078 . . . . 2.67 111.961 -175.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.8 -52.12 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.416 -0.587 . . . . 1.1 109.416 165.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -63.23 1.21 Allowed 'General case' 0 N--CA 1.46 0.056 0 N-CA-C 107.959 -1.126 . . . . 1.93 107.959 -176.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.765 HG12 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -56.75 -52.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.195 0 C-N-CA 124.242 1.017 . . . . 0.8 110.263 -178.224 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -45.59 39.04 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 119.357 0.981 . . . . 0.49 109.988 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.4 -60.14 2.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 123.88 0.738 . . . . 1.39 110.698 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.32 79.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.25 0.548 . . . . 0.72 111.896 -173.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.765 HD12 HG12 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -83.29 -24.17 32.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.169 1.788 . . . . 1.22 109.582 -170.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 84.67 56.13 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.663 1.585 . . . . 1.82 111.436 170.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.89 -164.79 1.63 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.416 -1.327 . . . . 1.47 107.416 165.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -126.92 149.0 50.02 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.849 1.659 . . . . 0.89 110.424 172.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -25.97 67.34 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.275 0.472 . . . . 3.28 112.275 -169.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -70.16 -50.52 39.51 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.981 1.712 . . . . 4.88 110.437 172.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -62.44 -40.05 95.31 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.751 -0.833 . . . . 2.92 108.751 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mt -56.66 -54.17 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.461 1.904 . . . . 0.75 110.654 168.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.94 -47.84 70.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.22 -0.925 . . . . 4.42 110.557 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mt -54.52 -57.04 7.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 N-CA-C 109.041 -0.726 . . . . 1.77 109.041 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -48.15 -46.89 34.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.42 0.554 . . . . 0.6 110.427 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.33 -48.67 78.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.439 1.496 . . . . 1.25 112.217 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -53.81 -51.54 63.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.592 1.157 . . . . 4.28 109.513 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -61.66 2.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.338 1.855 . . . . 3.26 109.496 176.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -43.81 -54.14 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.896 1.679 . . . . 4.84 111.71 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 115.044 1.498 . . . . 3.87 115.044 -176.357 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 106.694 -1.595 . . . . 2.05 106.694 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.22 166.83 21.03 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 110.242 -0.281 . . . . 1.02 110.242 162.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.3 ttt85 -64.26 -45.26 88.91 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 119.017 -1.073 . . . . 5.13 109.804 171.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -55.04 6.63 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.61 1.096 . . . . 2.46 110.077 173.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' NE2' HD13 ' A' ' 40' ' ' LEU . 3.8 mt-30 -54.34 -57.08 12.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.611 -0.514 . . . . 1.47 109.611 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 m -53.72 -39.41 65.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.534 0.734 . . . . 0.81 111.473 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -49.12 71.89 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.097 -1.446 . . . . 0.84 107.097 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.76 -50.48 70.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.693 -0.484 . . . . 2.69 109.693 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.97 -39.05 71.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.955 0.902 . . . . 1.79 112.434 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -52.96 60.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.933 1.293 . . . . 2.59 109.435 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -61.5 -32.75 72.78 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.343 -0.848 . . . . 3.12 111.281 173.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -37.47 83.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.778 -1.201 . . . . 3.24 110.3 172.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 15.5 t80 -63.71 -15.04 57.45 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.816 -1.177 . . . . 1.14 112.028 173.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -94.8 -17.38 22.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.05 1.34 . . . . 2.81 111.174 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -46.22 74.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.3 -1.741 . . . . 2.3 106.3 172.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.473 ' OD1' HG22 ' A' ' 26' ' ' ILE . 12.7 p30 -173.56 -176.37 1.27 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.768 2.027 . . . . 3.16 106.298 -172.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 5.6 ptp180 -139.55 34.06 2.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.785 0.834 . . . . 7.92 110.424 167.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -175.79 88.47 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.737 3.215 . . . . 4.17 105.611 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -105.56 150.12 8.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 124.039 0.936 . . . . 2.42 110.804 -170.019 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -64.33 147.46 52.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.556 -0.535 . . . . 1.31 109.556 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -61.93 -37.54 85.06 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 119.609 -0.836 . . . . 4.26 110.503 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -48.98 66.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.041 0.536 . . . . 4.68 109.631 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.66 -37.34 70.8 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 122.163 -0.335 . . . . 1.93 111.146 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -71.6 -40.16 70.02 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.176 -0.952 . . . . 2.75 111.547 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.61 -47.3 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.807 0.73 . . . . 1.18 109.666 173.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -63.43 1.15 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.602 1.561 . . . . 2.11 109.088 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -46.83 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 116.034 -0.53 . . . . 1.21 110.148 -178.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.79 38.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.574 0.75 . . . . 0.69 109.558 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -67.09 -58.64 4.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 124.171 0.919 . . . . 1.23 110.011 -176.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.94 84.13 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.427 0.632 . . . . 0.68 112.253 -175.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.49 -40.33 80.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.808 2.043 . . . . 1.05 109.002 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 92.85 42.99 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.074 2.55 . . . . 1.53 111.04 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.44 HD13 ' NE2' ' A' ' 12' ' ' GLN . 6.8 tp -136.1 144.69 45.26 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.214 -0.928 . . . . 1.9 108.573 174.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.42 144.51 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.709 0.803 . . . . 1.51 111.589 -168.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -48.55 -49.05 38.04 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.68 0.673 . . . . 3.07 111.807 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -43.0 68.48 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.208 0.603 . . . . 5.71 109.777 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -54.03 40.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.845 0.858 . . . . 3.86 108.696 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -54.27 -43.95 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.393 1.077 . . . . 0.95 109.573 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -57.88 -53.94 52.52 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.719 -0.613 . . . . 3.3 110.469 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.43 -43.99 95.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 117.829 0.286 . . . . 1.96 110.637 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.04 -48.29 78.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.55 1.14 . . . . 0.65 109.031 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -64.01 -49.47 72.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 122.096 -0.378 . . . . 1.42 110.609 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.22 -43.44 52.78 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.758 -0.46 . . . . 3.89 109.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.45 -59.62 3.81 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.552 -1.277 . . . . 2.25 107.552 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -50.64 -37.52 41.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 127.182 2.193 . . . . 4.17 112.909 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 . . . . . 0 N--CA 1.455 -0.19 0 C-N-CA 123.926 0.891 . . . . 4.36 111.014 177.51 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 109.512 -0.551 . . . . 2.25 109.512 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.1 158.87 33.47 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.348 0.594 . . . . 1.37 110.847 167.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -56.36 -49.23 75.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.814 -0.809 . . . . 4.31 108.814 171.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -52.62 -49.86 64.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.92 0.488 . . . . 1.97 110.666 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.449 ' HG2' ' CD2' ' A' ' 38' ' ' LEU . 2.9 mt-30 -53.83 -56.08 20.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.748 -0.834 . . . . 1.39 108.748 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 m -55.63 -46.63 77.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.35 -0.841 . . . . 0.87 110.692 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -50.78 72.71 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.19 0.905 . . . . 0.68 109.772 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.54 -44.55 72.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.401 -0.592 . . . . 2.88 109.401 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.37 -45.67 83.17 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.574 1.15 . . . . 1.18 112.854 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.0 -50.28 36.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.603 1.561 . . . . 2.93 109.082 172.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -62.06 -49.24 76.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.647 1.579 . . . . 3.04 112.032 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -33.58 56.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.835 1.654 . . . . 3.13 109.596 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.48 -27.68 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.621 -1.299 . . . . 1.07 111.348 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -70.3 -25.4 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.652 -0.655 . . . . 3.0 110.896 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.31 80.55 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.513 -0.921 . . . . 1.99 108.513 173.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.19 146.2 3.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.917 0.487 . . . . 3.24 111.35 -170.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -76.52 -21.4 55.79 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.545 0.738 . . . . 4.7 112.318 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -145.49 142.49 29.28 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 105.505 -2.035 . . . . 2.8 105.505 164.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.443 HG22 ' HB3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -85.04 147.52 5.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 113.526 0.936 . . . . 1.87 113.526 -175.215 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -70.22 148.78 48.2 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.344 1.457 . . . . 1.18 109.14 173.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.12 -46.5 68.79 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 120.923 1.692 . . . . 3.63 111.365 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -55.94 -46.64 78.45 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.692 0.397 . . . . 4.5 110.89 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HB3' HG22 ' A' ' 26' ' ' ILE . 26.4 tpt180 -74.06 -33.91 63.85 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.92 0.39 . . . . 2.18 110.506 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 ttp-105 -68.54 -44.64 74.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 121.549 -0.72 . . . . 3.75 109.824 -172.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.7 -49.84 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.669 -0.493 . . . . 1.99 109.669 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.24 -62.93 1.34 Allowed 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 125.158 1.383 . . . . 2.21 107.804 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.5 mm -50.41 -62.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 124.526 1.13 . . . . 1.4 111.301 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.97 -37.39 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.44 0.696 . . . . 0.54 110.836 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -73.33 -65.77 0.77 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.689 0.618 . . . . 1.97 110.598 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.48 84.76 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.994 0.902 . . . . 0.8 110.659 -167.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -86.25 -4.35 59.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.406 2.282 . . . . 1.15 109.511 179.625 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m 44.44 62.15 2.13 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 126.363 1.865 . . . . 2.0 112.786 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 tp -124.63 -152.47 0.52 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 106.027 -1.842 . . . . 1.49 106.027 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -152.38 152.99 32.72 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 121.343 1.883 . . . . 0.93 112.032 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -49.85 -49.83 47.72 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 2.92 113.412 -170.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.14 -50.0 72.33 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.421 -0.585 . . . . 6.07 109.421 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -51.34 68.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.526 -0.916 . . . . 3.67 108.526 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.6 mt -53.77 -56.74 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 1.55 109.429 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -47.28 -53.72 12.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.605 0.639 . . . . 3.5 110.022 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.67 -38.39 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.1 -0.476 . . . . 2.23 111.522 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.49 -53.12 60.64 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.896 0.771 . . . . 0.61 109.87 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CE1' HD11 ' A' ' 26' ' ' ILE . 17.5 m-85 -59.77 -45.31 92.67 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 108.621 -0.881 . . . . 1.12 108.621 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.62 51.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.338 -0.245 . . . . 4.03 110.338 174.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -58.24 -46.25 86.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.561 1.144 . . . . 2.33 108.658 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -50.67 59.35 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.957 1.303 . . . . 4.05 110.772 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.489 0 N-CA-C 113.362 0.875 . . . . 5.05 113.362 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.429 -1.499 0 N-CA-C 108.274 -1.01 . . . . 2.35 108.274 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.42 162.69 35.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.111 -2.181 . . . . 1.67 105.111 -172.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -58.42 -39.31 79.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 120.44 1.473 . . . . 5.73 109.926 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.77 -61.63 2.18 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.364 0.666 . . . . 1.95 109.744 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -48.82 70.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.843 0.83 . . . . 1.73 110.385 -173.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.5 m -65.41 -29.33 70.01 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 117.631 -1.176 . . . . 0.86 111.365 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.84 87.72 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.607 2.003 . . . . 0.71 108.24 172.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -52.23 61.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 106.535 -1.654 . . . . 2.51 106.535 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.637 HD12 ' CE3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -61.72 -44.8 96.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.728 1.211 . . . . 2.59 112.098 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.4 -51.36 59.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.563 -1.336 . . . . 4.32 111.036 171.581 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -65.42 -34.13 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.134 -0.979 . . . . 3.84 111.478 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -53.78 -41.81 67.62 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.19 0.996 . . . . 4.57 110.312 169.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.74 -47.15 82.21 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.562 -0.711 . . . . 1.21 110.161 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.61 -27.84 68.06 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.523 -0.308 . . . . 2.72 111.437 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.96 -66.26 0.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.956 1.302 . . . . 2.77 108.908 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -157.64 131.23 7.89 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.864 -0.791 . . . . 3.22 108.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.73 -29.61 64.89 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.489 0.716 . . . . 4.77 111.981 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -130.74 120.52 23.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.222 -1.399 . . . . 2.69 107.222 170.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.433 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -93.15 151.18 3.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 108.552 -0.907 . . . . 1.52 108.552 174.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.12 149.64 49.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.007 -1.108 . . . . 1.27 108.007 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -61.17 -38.89 88.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 120.661 1.573 . . . . 4.38 110.967 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -54.57 -53.24 57.16 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.606 0.639 . . . . 4.93 109.938 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -67.18 -40.5 86.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.893 0.378 . . . . 2.16 110.549 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HG3' HD12 ' A' ' 26' ' ' ILE . 3.2 ttm105 -65.25 -43.4 91.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.832 -0.803 . . . . 2.66 108.832 -177.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.1 -47.97 89.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 118.7 0.682 . . . . 1.2 109.934 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.04 -63.66 1.07 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 108.35 -0.982 . . . . 1.96 108.35 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -57.25 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.49 -0.777 . . . . 1.14 110.056 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.97 -39.32 59.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.575 0.75 . . . . 0.68 110.935 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -68.04 -48.18 66.35 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.504 -0.554 . . . . 1.62 109.504 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.99 93.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.036 0.384 . . . . 0.63 112.036 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -30.79 32.54 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.758 1.223 . . . . 0.94 109.571 -170.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 t 84.99 54.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 128.092 2.557 . . . . 2.12 110.231 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -160.38 1.07 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 2.05 109.275 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -146.52 164.52 32.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.511 1.505 . . . . 1.5 112.332 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.92 -36.82 77.83 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 122.612 0.365 . . . . 3.72 110.463 169.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.89 -54.74 43.71 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.282 -0.636 . . . . 5.83 109.282 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.65 -57.74 10.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.263 -0.575 . . . . 4.01 110.319 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.402 HG23 ' CE1' ' A' ' 49' ' ' PHE . 67.7 mt -54.61 -45.49 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 110.053 -0.351 . . . . 1.26 110.053 -172.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -48.4 -58.5 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.172 -0.677 . . . . 3.28 109.172 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -44.64 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 122.961 0.504 . . . . 2.01 111.512 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.637 ' CE3' HD12 ' A' ' 16' ' ' LEU . 33.7 t90 -57.9 -48.68 79.17 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 108.862 -0.792 . . . . 0.58 108.862 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.402 ' CE1' HG23 ' A' ' 45' ' ' ILE . 7.1 m-85 -67.18 -36.26 81.41 Favored 'General case' 0 C--O 1.232 0.134 0 O-C-N 121.637 -0.665 . . . . 1.44 110.71 -178.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.57 -54.92 30.53 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.584 -0.895 . . . . 4.11 108.584 171.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -59.6 -43.57 93.69 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.934 1.294 . . . . 2.49 109.128 -175.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -77.52 -35.95 52.92 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.152 -0.927 . . . . 6.12 110.768 -170.392 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 . . . . . 0 N--CA 1.449 -0.485 0 C-N-CA 119.207 -0.997 . . . . 3.58 108.586 174.589 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.852 0.358 . . . . 1.94 110.37 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.33 170.25 12.69 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.465 1.506 . . . . 1.03 109.765 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -57.81 -49.81 75.39 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 4.3 109.908 172.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.13 -53.68 54.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.95 -0.759 . . . . 1.46 108.95 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.469 ' NE2' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -53.95 -48.45 70.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.8 0.333 . . . . 1.69 110.33 -177.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.1 m -60.29 -42.07 94.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 118.747 -0.644 . . . . 0.71 110.64 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -53.19 59.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.182 0.901 . . . . 0.62 109.307 173.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.63 -40.74 72.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.041 0.448 . . . . 2.5 110.384 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.66 -40.98 65.92 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.871 0.868 . . . . 1.25 113.286 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -51.6 58.72 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.522 -1.361 . . . . 3.53 109.509 165.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -56.06 -35.51 67.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.56 1.144 . . . . 3.4 111.312 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.614 ' OE2' HD11 ' A' ' 26' ' ' ILE . 9.3 tt0 -63.17 -41.23 99.2 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 124.435 1.094 . . . . 4.38 111.039 173.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -63.56 -40.33 96.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.138 -0.69 . . . . 1.14 109.138 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -37.12 79.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.737 0.415 . . . . 5.54 111.392 168.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.47 -39.08 93.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.998 0.919 . . . . 2.45 109.023 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 p30 173.04 166.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.166 2.186 . . . . 2.4 109.108 159.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -68.59 -15.97 63.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.759 1.022 . . . . 4.2 113.759 -170.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.73 104.5 0.25 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.036 0.935 . . . . 4.16 108.49 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.614 HD11 ' OE2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -64.47 168.33 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 113.964 1.098 . . . . 1.58 113.964 -171.615 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -72.71 148.19 44.92 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.265 1.026 . . . . 1.33 108.535 164.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.94 -36.4 76.97 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 119.071 -1.052 . . . . 4.54 111.131 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -50.7 68.45 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.773 1.169 . . . . 3.81 110.302 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.48 69.47 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.857 0.837 . . . . 2.11 110.673 -176.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.558 ' HA ' HD12 ' A' ' 26' ' ' ILE . 3.5 ttm-85 -81.83 -34.39 30.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.817 -0.552 . . . . 3.05 110.685 -173.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.64 -49.99 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.874 0.869 . . . . 1.03 108.753 163.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.38 -63.1 1.26 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.701 1.2 . . . . 1.97 109.058 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -53.87 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-O 118.21 -0.9 . . . . 0.81 110.715 175.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.11 -35.83 12.14 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 120.114 1.325 . . . . 0.59 111.228 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -68.2 -64.98 0.75 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.144 -0.687 . . . . 1.34 109.144 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -32.1 67.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.52 0.933 . . . . 0.9 113.52 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 -5.09 52.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.095 2.158 . . . . 0.83 110.058 -175.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 p 51.86 53.85 11.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.362 1.465 . . . . 1.97 112.892 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.469 HD13 ' NE2' ' A' ' 12' ' ' GLN . 7.7 tp -132.02 -152.68 0.51 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.804 1.242 . . . . 1.29 109.512 173.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.7 p -150.77 161.45 42.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.197 1.362 . . . . 1.17 110.972 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.37 -33.55 76.1 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.472 -0.299 . . . . 4.15 111.523 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -56.29 -54.66 42.76 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.43 -0.952 . . . . 5.32 108.43 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -57.93 -53.88 53.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.727 0.811 . . . . 3.1 110.265 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.1 mt -59.65 -40.61 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.014 0.526 . . . . 0.78 110.011 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -51.79 66.48 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.373 -0.602 . . . . 3.8 109.373 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.18 -48.51 88.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.142 0.977 . . . . 1.76 110.045 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -55.42 -43.82 75.68 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.694 0.759 . . . . 0.61 110.069 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.45 -40.56 91.61 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 120.789 -1.194 . . . . 1.67 111.0 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.01 -45.74 90.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.078 0.861 . . . . 3.54 110.27 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -42.42 -47.95 5.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.587 1.555 . . . . 2.7 111.818 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -58.82 2.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.881 -1.054 . . . . 5.81 111.398 -164.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.341 0.233 0 C-N-CA 128.901 2.88 . . . . 3.6 117.401 175.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 106.499 -1.667 . . . . 2.59 106.499 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 165.18 24.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.403 0.621 . . . . 1.31 111.776 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -57.74 -53.41 58.49 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.556 -0.905 . . . . 4.46 108.556 172.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.86 -54.72 17.72 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.81 0.844 . . . . 1.51 110.042 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.524 ' NE2' ' CD1' ' A' ' 40' ' ' LEU . 3.1 mt-30 -53.95 -52.41 60.72 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.252 0.549 . . . . 2.8 109.617 -175.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -56.43 -49.41 74.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.381 -0.819 . . . . 0.77 110.814 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.08 69.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.522 1.055 . . . . 0.64 110.314 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.38 -48.49 76.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.604 -0.887 . . . . 2.75 108.604 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.08 -42.31 98.27 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.595 -0.691 . . . . 1.43 112.61 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -45.2 69.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.006 1.322 . . . . 4.17 111.503 168.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -51.71 63.81 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.722 -0.844 . . . . 4.43 108.722 169.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.13 -33.97 67.91 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.288 0.635 . . . . 3.63 110.237 -171.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.22 -24.39 67.86 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.921 -0.487 . . . . 1.18 111.407 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -83.98 -21.02 31.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.313 0.645 . . . . 3.17 111.369 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -54.9 4.47 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.731 -1.581 . . . . 2.76 106.731 -175.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -137.66 135.88 36.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.976 1.31 . . . . 2.19 108.914 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.46 -39.05 62.77 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.63 -0.669 . . . . 4.97 110.506 175.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -128.45 123.77 34.53 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 104.357 -2.46 . . . . 3.09 104.357 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -70.65 149.11 10.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 120.825 1.648 . . . . 1.49 112.123 177.489 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -59.49 144.63 46.66 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.234 -1.348 . . . . 0.91 108.898 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -53.1 -42.74 66.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.273 0.942 . . . . 4.11 111.555 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.86 16.2 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.945 -0.761 . . . . 4.63 108.945 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -58.74 -35.05 72.1 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.356 -0.238 . . . . 3.45 110.356 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -73.22 -40.04 65.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.856 -0.592 . . . . 2.4 111.426 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.42 -45.74 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 119.048 0.84 . . . . 1.05 109.025 171.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -63.27 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.556 1.143 . . . . 2.22 108.288 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.81 -53.18 40.53 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 124.099 0.96 . . . . 1.22 110.394 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.0 -38.73 17.72 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.865 -1.147 . . . . 0.49 110.353 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -71.02 -70.72 0.29 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.596 0.236 . . . . 1.33 110.677 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.32 80.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.78 0.832 . . . . 0.84 113.017 -170.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.45 -4.12 59.12 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.699 2.4 . . . . 1.15 109.905 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 p 52.01 63.65 2.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.677 1.591 . . . . 2.54 113.814 173.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -139.75 -175.71 4.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.105 1.362 . . . . 1.74 109.505 171.048 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 100.0 p -110.53 161.54 15.6 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 119.308 0.958 . . . . 1.17 111.695 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.88 -43.53 98.65 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.411 -0.589 . . . . 3.41 109.411 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -47.08 -58.12 4.35 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 123.991 0.917 . . . . 7.1 110.244 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -58.96 -60.48 3.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.862 -0.792 . . . . 4.38 108.862 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.08 -46.58 88.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 120.769 0.319 . . . . 0.8 110.672 -169.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -53.41 -51.73 61.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.99 0.916 . . . . 3.58 109.29 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.22 -51.37 73.34 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 120.253 -0.579 . . . . 1.7 109.879 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -51.12 -53.3 35.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.151 -0.928 . . . . 0.82 109.844 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -58.76 -39.05 79.86 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.041 0.837 . . . . 1.16 111.295 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -47.3 86.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.353 -0.61 . . . . 4.16 109.353 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -53.98 47.74 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 125.987 1.715 . . . . 3.28 111.4 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.29 -23.93 62.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 126.279 1.832 . . . . 6.17 113.083 -171.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 . . . . . 0 CA--C 1.53 0.21 0 O-C-N 121.908 -0.495 . . . . 2.93 111.377 167.846 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 41.0 mmm . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 107.239 -1.393 . . . . 30.14 107.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -64.45 162.19 15.67 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.926 0.766 . . . . 25.25 109.665 171.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 t -161.49 179.68 8.04 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.122 1.369 . . . . 22.44 107.917 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 166.08 -20.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.631 1.972 . . . . 22.57 112.081 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 34.29 89.6 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.827 2.051 . . . . 22.78 114.969 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.6 p 50.4 93.38 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.55 1.54 . . . . 13.66 113.726 159.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -75.59 -35.48 60.56 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.621 -0.718 . . . . 14.78 110.291 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -119.58 -178.78 3.7 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 128.904 2.882 . . . . 6.78 106.469 173.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.402 ' O ' HD13 ' A' ' 40' ' ' LEU 0.262 1.2 p 71.62 150.67 0.1 Allowed 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 126.92 2.088 . . . . 2.92 114.768 175.256 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -143.65 162.54 35.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.545 1.138 . . . . 2.43 108.67 -166.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.08 169.94 16.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.257 1.823 . . . . 1.25 108.276 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -54.67 -50.29 68.58 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 109.274 -0.639 . . . . 5.23 109.274 171.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.91 -56.95 13.95 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.55 0.74 . . . . 2.11 109.785 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.56 HE22 HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -53.87 -52.83 59.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.574 0.702 . . . . 1.48 109.671 -175.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 m -58.02 -39.04 77.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 118.092 -0.956 . . . . 0.59 110.663 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -50.04 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 120.519 1.509 . . . . 0.71 109.377 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.45 -45.0 89.44 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.423 0.63 . . . . 3.73 109.971 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.76 -47.98 78.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.562 0.745 . . . . 1.54 111.372 174.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.05 -48.97 78.48 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.525 1.13 . . . . 3.71 111.417 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -7.62 49.25 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.419 0.896 . . . . 3.97 113.419 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -87.39 -39.92 14.86 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 122.195 0.998 . . . . 3.98 109.3 163.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.18 -44.3 95.79 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.756 -0.59 . . . . 1.27 110.394 -172.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -17.38 64.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 119.93 -0.708 . . . . 4.49 112.111 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -54.82 5.7 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.708 -1.219 . . . . 3.38 107.708 176.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -144.18 88.16 1.94 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.583 1.553 . . . . 2.56 109.251 -168.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -55.96 -24.13 36.5 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.598 -0.689 . . . . 5.3 111.396 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -120.19 109.8 15.85 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.457 1.903 . . . . 2.45 106.021 160.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.501 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -73.74 156.5 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.444 0.64 . . . . 1.88 109.421 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.13 147.2 53.43 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.069 -1.456 . . . . 1.04 107.069 167.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -61.11 -38.63 86.99 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 118.355 -1.338 . . . . 3.73 110.222 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -52.46 -55.45 21.84 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 117.967 0.349 . . . . 6.15 110.329 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -64.65 -41.53 96.07 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 120.399 -0.52 . . . . 1.96 110.039 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HG3' HD12 ' A' ' 26' ' ' ILE . 2.2 ttp-105 -62.49 -41.03 98.52 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.735 -0.603 . . . . 4.89 109.807 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.89 -49.17 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 118.544 0.611 . . . . 0.97 109.777 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -53.47 -63.56 1.11 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.961 0.905 . . . . 1.91 109.102 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -49.26 -53.33 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 123.636 0.774 . . . . 1.09 109.941 174.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.88 -27.31 51.31 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.972 -1.08 . . . . 0.98 112.23 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -80.89 -62.24 1.73 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.722 0.809 . . . . 1.38 109.994 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.81 58.44 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.987 0.915 . . . . 0.62 111.951 -171.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -43.39 95.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 106.821 -1.548 . . . . 1.18 106.821 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.8 m 74.58 72.95 0.11 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 127.683 2.393 . . . . 2.49 111.545 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.56 HD13 HE22 ' A' ' 12' ' ' GLN . 30.9 tp -152.72 139.55 19.0 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 106.01 -1.848 . . . . 1.89 106.01 166.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.8 p -69.48 154.63 41.72 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 113.465 0.913 . . . . 0.97 113.465 -159.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.64 -44.04 37.05 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 124.605 1.162 . . . . 3.37 110.783 172.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.07 -50.06 73.94 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 124.831 1.252 . . . . 7.94 108.684 176.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.451 ' HG3' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -62.23 -54.18 44.6 Favored 'General case' 0 N--CA 1.439 -0.98 0 N-CA-C 107.824 -1.176 . . . . 3.42 107.824 -173.01 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mt -61.48 -39.37 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 118.586 -0.721 . . . . 0.88 110.447 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -51.53 -58.61 5.81 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 118.855 -1.138 . . . . 3.19 109.43 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.56 -42.62 88.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 118.461 0.573 . . . . 2.03 112.219 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.83 -52.37 66.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.454 1.101 . . . . 0.65 108.719 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.81 -39.41 90.86 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.664 -0.648 . . . . 1.59 110.643 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.93 -43.61 98.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.156 0.982 . . . . 4.36 110.005 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -52.98 61.55 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 124.727 1.211 . . . . 2.71 108.808 177.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' A' ' 52' ' ' ARG . 3.0 tpt180 -47.63 -45.03 27.36 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.098 1.359 . . . . 4.23 112.117 -165.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -29.92 -49.85 0.11 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.698 1.599 . . . . 2.98 112.678 172.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -122.09 37.67 4.32 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 124.668 1.187 . . . . 6.26 109.233 -172.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -82.85 46.22 1.07 Allowed 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.128 -1.608 . . . . 5.39 112.672 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.5 m 33.95 46.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 130.415 3.486 . . . . 5.39 113.67 160.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -175.22 -51.19 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 128.006 2.523 . . . . 6.29 105.331 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -85.53 45.62 1.21 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.169 -0.678 . . . . 8.51 109.169 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -145.33 -75.3 0.22 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.602 1.161 . . . . 7.0 109.516 -162.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -87.48 67.05 9.29 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.337 0.589 . . . . 9.67 111.217 -159.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -72.0 75.31 0.92 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.147 0.975 . . . . 11.0 108.975 169.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 tt -50.88 108.3 0.23 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.441 1.896 . . . . 13.87 110.014 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t0 48.48 45.99 20.8 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 123.64 1.686 . . . . 18.2 109.416 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.6 m 58.08 17.8 4.74 Favored 'General case' 0 N--CA 1.436 -1.166 0 C-N-CA 127.377 2.271 . . . . 17.81 114.91 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 65.8 p -77.39 150.45 79.87 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 119.195 0.907 . . . . 17.06 109.597 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.6 80.34 2.8 Favored 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 122.259 1.973 . . . . 18.3 109.331 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.87 -26.26 46.31 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 122.808 0.443 . . . . 18.97 111.436 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 p80 . . . . . 0 CA--C 1.534 0.341 0 C-N-CA 127.141 2.176 . . . . 21.88 112.103 173.562 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 107.669 -1.234 . . . . 30.9 107.669 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . 0.401 ' OD2' ' NH2' ' A' ' 5' ' ' ARG . 12.7 t0 -66.34 162.48 20.2 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.739 0.78 . . . . 25.85 109.49 164.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.5 p -58.49 71.88 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 128.87 2.868 . . . . 21.58 110.461 165.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -64.28 73.34 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.823 1.649 . . . . 23.08 110.84 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.1 tpp85 88.04 166.55 0.06 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.159 2.584 . . . . 23.41 107.858 -165.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p 52.63 93.54 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.918 2.087 . . . . 14.78 112.16 -177.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.401 ' NH2' ' OD2' ' A' ' 0' ' ' ASP . 0.1 OUTLIER -92.01 164.67 13.54 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.89 -1.152 . . . . 17.28 107.89 168.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.29 164.32 16.2 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.3 -0.63 . . . . 8.5 109.3 173.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.8 p -73.86 179.08 4.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.868 1.267 . . . . 3.6 110.904 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 85.64 146.0 0.06 Allowed 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 130.925 3.69 . . . . 2.64 112.838 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.6 164.59 15.3 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.572 -173.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.71 -48.66 78.28 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.492 -0.929 . . . . 5.09 108.492 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -47.57 -54.23 12.35 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 123.767 0.827 . . . . 1.88 109.932 170.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.58 -53.26 54.25 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 123.3 0.64 . . . . 1.43 110.36 -177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 m -58.15 -45.34 87.57 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 118.119 -0.943 . . . . 0.59 110.047 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -50.55 70.67 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 119.744 1.156 . . . . 0.63 109.856 177.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.12 -52.49 63.1 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.653 0.781 . . . . 3.67 109.404 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.88 -38.27 78.45 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.632 1.573 . . . . 1.27 112.71 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.72 -49.94 54.73 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.707 -1.96 . . . . 2.88 105.707 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -54.77 -48.64 72.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.629 0.772 . . . . 4.85 109.948 172.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -39.43 72.38 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.445 -0.576 . . . . 3.53 109.445 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -63.68 -39.84 95.33 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.112 -1.618 . . . . 1.32 110.67 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.44 -33.25 71.04 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 122.036 -0.415 . . . . 3.06 110.473 171.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -52.37 59.69 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.572 0.749 . . . . 2.27 110.54 172.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -143.52 121.49 12.06 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.883 1.273 . . . . 2.12 109.616 -162.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -63.74 -28.96 70.24 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.869 -1.144 . . . . 4.98 111.375 172.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -143.26 123.77 13.99 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.418 -1.697 . . . . 2.34 106.418 167.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.4 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -68.69 152.07 9.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.106 0.479 . . . . 1.72 110.404 -178.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.77 144.38 56.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.361 -1.348 . . . . 1.03 107.361 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -54.88 -41.66 71.14 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.898 1.226 . . . . 4.22 110.673 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -63.21 -50.69 69.27 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.827 0.74 . . . . 7.72 110.998 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -57.58 -42.13 82.52 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 121.366 0.603 . . . . 1.87 109.713 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' HG3' HD12 ' A' ' 26' ' ' ILE . 14.8 ttm180 -65.28 -39.97 93.25 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 121.568 -0.707 . . . . 2.62 110.043 -176.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.65 -49.72 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 123.288 0.635 . . . . 1.03 109.84 171.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.33 -63.09 1.26 Allowed 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.218 -1.03 . . . . 2.03 108.218 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -56.59 -50.23 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.113 0 C-N-CA 124.403 1.081 . . . . 0.79 110.358 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.6 -47.63 39.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 O-C-N 120.97 -1.081 . . . . 0.49 109.569 175.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -63.73 -58.27 7.4 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.184 -0.462 . . . . 1.35 110.739 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.24 -53.5 10.72 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.836 0.827 . . . . 0.83 112.08 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -22.96 67.13 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.463 1.905 . . . . 0.74 108.943 -175.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.2 m 80.81 57.67 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.524 1.93 . . . . 1.86 110.765 168.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tp -139.57 -177.65 5.04 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.139 1.775 . . . . 1.59 107.49 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.2 p -110.98 158.33 18.9 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 121.17 1.804 . . . . 1.15 111.537 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -52.13 61.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.108 -1.071 . . . . 3.4 108.108 175.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.5 ttm-85 -49.03 -61.88 1.83 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.116 1.366 . . . . 5.56 111.503 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -58.23 -47.49 83.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.52 -0.548 . . . . 3.55 109.52 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -54.24 -46.57 68.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 119.189 -0.434 . . . . 0.73 109.89 176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -53.4 42.18 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.579 1.081 . . . . 3.26 109.46 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.6 -41.97 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.685 0.394 . . . . 1.73 111.098 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.3 t90 -61.13 -48.62 80.81 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 122.978 0.511 . . . . 0.7 110.153 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -67.73 -28.53 67.72 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.286 -0.884 . . . . 1.21 110.765 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -62.28 -44.29 96.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.836 -0.54 . . . . 3.59 110.366 168.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.28 -45.59 46.66 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.253 1.021 . . . . 2.56 110.047 -171.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -59.82 3.25 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.012 2.125 . . . . 5.17 111.005 -173.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 31.42 42.7 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.614 1.966 . . . . 4.26 116.003 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.5 ptp 35.48 57.4 0.87 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.601 1.161 . . . . 12.09 112.022 -171.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -72.88 26.57 0.06 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.284 1.433 . . . . 6.81 113.207 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 m 33.88 50.52 0.33 Allowed 'General case' 0 C--N 1.344 0.358 0 C-N-CA 127.556 2.342 . . . . 8.88 113.244 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -168.05 -35.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 113.47 -1.695 . . . . 8.76 107.629 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -113.0 60.77 0.64 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 105.207 -2.146 . . . . 11.0 105.207 158.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -175.74 -52.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 127.028 2.131 . . . . 11.26 106.337 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.92 174.0 11.3 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 103.453 -2.795 . . . . 14.42 103.453 158.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.0 m 53.74 65.85 1.4 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.179 1.391 . . . . 14.73 112.149 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.3 tp -70.17 147.17 50.17 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 107.862 -1.162 . . . . 21.07 107.862 161.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -87.18 -134.26 0.08 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.435 1.494 . . . . 22.66 107.35 170.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.7 t -124.63 116.68 22.79 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 105.102 -2.184 . . . . 25.97 105.102 165.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.419 ' HB3' ' HD3' ' A' ' 66' ' ' PRO 0.276 21.1 t -158.11 -69.71 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 115.398 1.629 . . . . 28.4 115.398 -158.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 65' ' ' SER . 92.7 Cg_endo -71.11 69.68 2.39 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 124.878 3.719 . . . . 28.41 110.945 -177.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 46.19 93.86 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.11 2.164 . . . . 35.38 110.578 -164.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 m80 . . . . . 0 N--CA 1.436 -1.158 0 C-N-CA 127.189 2.196 . . . . 33.38 111.624 -159.882 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 106.45 -1.685 . . . . 29.45 106.45 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . 0.434 ' OD2' ' NZ ' ' A' ' 2' ' ' LYS . 5.5 p-10 -167.75 34.72 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 O-C-N 123.872 0.732 . . . . 23.29 109.512 -158.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.8 m -49.74 109.2 0.26 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.133 1.773 . . . . 20.08 114.042 -166.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' NZ ' ' OD2' ' A' ' 0' ' ' ASP . 1.3 mppt? -68.21 77.19 0.25 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 108.079 -1.082 . . . . 20.32 108.079 165.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -72.96 60.13 0.52 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.048 1.339 . . . . 19.45 111.813 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.7 p -153.85 94.07 1.72 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.746 1.619 . . . . 13.23 106.813 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -93.92 127.62 39.78 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.424 -0.954 . . . . 10.68 108.424 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.27 156.23 41.8 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 105.498 -2.038 . . . . 6.48 105.498 176.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.4 p -101.21 -177.81 3.56 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.625 1.17 . . . . 3.25 110.773 -172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -137.82 175.25 9.76 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.319 1.847 . . . . 2.11 106.112 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.42 163.37 30.63 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.635 1.174 . . . . 1.31 108.967 172.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -56.68 -54.96 40.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.748 -0.834 . . . . 5.69 108.748 174.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -49.88 -55.7 13.33 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.138 0.575 . . . . 1.52 110.106 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG2' ' CD2' ' A' ' 38' ' ' LEU . 16.9 mt-30 -56.97 -52.28 65.87 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 110.059 -0.349 . . . . 2.45 110.059 -173.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 m -51.05 -50.23 59.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.391 0.677 . . . . 0.74 111.627 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -49.81 75.96 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 118.813 0.733 . . . . 0.85 109.245 -177.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -35.53 79.06 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 121.852 -0.53 . . . . 2.51 110.037 -175.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.76 -36.83 84.35 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.254 0.621 . . . . 1.41 111.745 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -50.49 73.74 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.099 0.559 . . . . 2.53 110.139 171.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -44.9 70.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.784 -0.45 . . . . 3.91 109.784 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -61.16 -40.0 92.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 122.255 -0.278 . . . . 3.7 110.915 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.155 -0.966 . . . . 1.27 109.728 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -67.29 -17.63 64.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.93 -0.557 . . . . 5.96 112.448 173.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.53 -54.42 5.68 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.367 0.985 . . . . 2.83 108.527 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -138.97 119.3 13.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.28 1.432 . . . . 2.13 110.182 -164.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -60.31 -34.21 73.46 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.573 -0.704 . . . . 5.48 110.758 171.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -142.77 119.57 11.2 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.183 2.193 . . . . 3.18 106.154 167.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.504 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -65.4 162.92 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 118.42 0.554 . . . . 1.41 111.926 178.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -63.49 146.83 52.86 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.464 -1.31 . . . . 0.98 107.464 166.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -58.8 -43.88 90.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.012 0.824 . . . . 6.21 110.619 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -57.5 -51.68 68.46 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.86 -0.422 . . . . 5.41 109.86 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.89 -41.34 97.78 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.02 -0.733 . . . . 1.71 109.02 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.504 ' HG3' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -64.31 -44.29 92.06 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 121.724 -0.61 . . . . 2.71 111.211 -176.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.41 -45.98 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 118.443 0.565 . . . . 1.14 109.823 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.47 -63.42 1.15 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.718 0.77 . . . . 2.31 109.393 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.559 HG12 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.59 -52.77 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 C-N-CA 125.118 1.367 . . . . 0.93 110.114 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.65 -49.35 14.48 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.35 -0.844 . . . . 0.59 109.856 174.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.36 -55.7 19.38 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 123.421 0.45 . . . . 2.05 111.19 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.45 22.09 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.344 0.657 . . . . 0.71 111.822 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD12 HG12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -67.93 -30.07 69.29 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.559 1.943 . . . . 1.45 108.824 -177.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 90.79 48.03 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.31 1.844 . . . . 1.55 111.849 163.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.18 -177.82 4.3 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 107.031 -1.47 . . . . 1.46 107.031 170.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.1 p -100.43 156.74 17.09 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 121.519 1.963 . . . . 1.14 110.728 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -53.52 -48.32 69.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.122 0.969 . . . . 3.41 108.996 175.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 75.4 mmt-85 -59.7 -54.12 50.08 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 125.291 1.437 . . . . 7.69 110.829 176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -61.6 -38.89 89.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 121.798 -0.564 . . . . 2.89 110.554 -175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.5 mt -57.54 -50.78 76.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.402 0.681 . . . . 0.78 109.794 172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -51.72 -49.1 63.16 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.972 -0.455 . . . . 3.68 111.011 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.77 -43.98 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 118.108 0.413 . . . . 1.74 111.203 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -56.2 -49.91 72.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.55 0.74 . . . . 0.62 109.488 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -61.62 -47.39 85.63 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.764 -0.458 . . . . 1.42 109.764 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -53.59 -38.76 64.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 111.434 0.161 . . . . 3.55 111.434 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -66.18 0.55 Allowed 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.853 0.861 . . . . 2.22 109.177 168.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -51.19 -35.97 38.99 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.036 0.934 . . . . 4.37 113.358 -172.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -50.62 -47.1 58.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.914 -1.041 . . . . 3.62 111.081 173.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 66.0 mtm -147.37 81.68 1.53 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.663 1.585 . . . . 4.94 109.7 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . 0.321 78.0 tttt -91.76 -106.36 0.1 Allowed 'General case' 0 C--N 1.348 0.523 0 N-CA-C 114.975 1.472 . . . . 5.5 114.975 -168.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.7 t -132.76 62.26 1.66 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 123.531 1.634 . . . . 6.66 108.005 168.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -152.53 -36.07 0.12 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.058 -2.337 . . . . 6.05 107.289 162.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -97.68 56.81 1.31 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.653 -1.24 . . . . 7.14 107.653 174.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.94 -71.52 0.11 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.532 1.133 . . . . 10.55 109.428 -158.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 66.15 54.01 1.01 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.533 1.133 . . . . 12.98 108.992 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.282 3.8 t 51.95 -176.99 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.869 2.067 . . . . 16.2 113.591 -169.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 46.3 tp -67.88 134.97 51.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.161 -0.927 . . . . 21.28 110.513 -172.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -85.48 -133.79 0.06 Allowed 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 126.716 2.006 . . . . 22.18 107.761 171.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.7 m -140.8 45.36 1.8 Allowed 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 120.757 -1.214 . . . . 25.68 108.131 160.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m 79.85 148.25 0.11 Allowed Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 126.417 1.887 . . . . 26.9 108.695 -159.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -74.31 174.16 12.98 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.263 1.975 . . . . 26.65 109.398 172.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 tm-20 -70.59 -26.3 63.45 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.925 0.49 . . . . 30.28 111.318 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 105.696 -1.964 . . . . 32.42 105.696 176.857 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 107.379 -1.341 . . . . 24.7 107.379 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.73 156.56 38.81 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 123.582 0.551 . . . . 19.35 110.39 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t -84.54 61.13 6.49 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.451 -1.314 . . . . 16.12 107.451 173.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.34 30.09 0.44 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.381 2.272 . . . . 17.99 114.854 -176.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.06 54.49 8.84 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.248 0.931 . . . . 19.21 110.568 -168.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.284 4.6 p 81.48 104.83 0.06 Allowed 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 130.23 3.412 . . . . 11.36 112.824 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.84 141.78 31.78 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.511 -0.743 . . . . 9.73 109.682 159.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -77.66 145.0 36.94 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.23 -0.656 . . . . 6.72 109.23 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.8 p -91.23 132.34 36.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 106.274 -1.751 . . . . 2.57 106.274 158.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -73.69 144.03 45.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.444 -0.576 . . . . 2.27 109.444 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.1 168.64 13.09 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.003 0.521 . . . . 1.09 109.964 170.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -58.85 -51.33 70.47 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.306 -0.628 . . . . 5.14 109.306 171.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.64 -57.03 9.2 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 108.81 -0.811 . . . . 1.74 108.81 174.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.464 HE22 HD13 ' A' ' 40' ' ' LEU . 3.9 tt0 -53.83 -55.16 29.15 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 122.841 0.456 . . . . 1.59 110.197 -175.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 83.5 m -54.61 -40.91 69.37 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.276 0.63 . . . . 0.72 110.927 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.99 -50.74 72.94 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.1 0.864 . . . . 0.74 109.169 175.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -61.05 -40.81 95.05 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.421 -0.511 . . . . 2.61 110.791 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.4 -37.27 85.16 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.795 0.838 . . . . 1.86 111.98 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -51.55 68.77 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.685 -1.259 . . . . 2.71 109.576 171.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.39 -35.58 63.02 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.086 -1.009 . . . . 5.55 110.893 172.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -64.31 -39.66 94.35 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.293 1.437 . . . . 4.18 110.573 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -47.94 79.99 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 106.604 -1.628 . . . . 1.56 106.604 177.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.2 -33.98 69.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 122.618 0.367 . . . . 3.41 111.22 172.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -56.59 14.27 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.845 0.748 . . . . 2.52 109.426 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -152.81 136.35 15.98 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.165 -1.421 . . . . 2.68 107.165 173.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -55.66 -31.04 62.03 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 117.697 0.226 . . . . 4.88 111.585 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -144.6 117.6 8.84 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 106.48 -1.674 . . . . 3.4 106.48 163.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.499 HD13 HG21 ' A' ' 26' ' ' ILE 0.268 0.0 OUTLIER -64.21 149.94 10.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 114.682 1.364 . . . . 1.85 114.682 -178.216 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -56.63 143.79 34.63 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 113.462 -1.699 . . . . 1.14 109.28 167.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.9 ttt-85 -59.57 -38.46 81.21 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.846 -0.742 . . . . 4.04 111.13 -170.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -47.96 83.98 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.876 -0.73 . . . . 3.9 109.63 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -31.56 70.24 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.526 0.679 . . . . 1.88 109.716 -176.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HG3' HD12 ' A' ' 26' ' ' ILE . 1.8 ttm105 -76.94 -36.81 56.28 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.918 -0.489 . . . . 2.34 111.041 -175.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.7 mt -55.72 -51.84 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.139 -0.689 . . . . 0.96 109.139 165.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.55 -63.37 1.17 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.529 1.532 . . . . 2.28 109.845 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.3 -48.25 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 123.788 0.835 . . . . 1.16 110.387 176.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.2 -38.09 56.88 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 119.805 1.184 . . . . 0.5 110.66 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -64.66 -51.43 62.59 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.616 0.246 . . . . 1.48 110.36 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.01 -56.42 4.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 122.329 1.061 . . . . 0.64 112.019 -175.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.23 -20.61 66.16 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.606 2.762 . . . . 1.0 109.177 -176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 m 77.65 61.13 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.262 1.825 . . . . 2.06 110.453 166.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD13 HE22 ' A' ' 12' ' ' GLN . 4.2 tp -142.78 -148.18 0.23 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.194 1.398 . . . . 1.52 108.17 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -145.7 148.0 32.56 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 119.896 1.225 . . . . 1.04 110.264 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -48.86 -46.93 43.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.744 2.018 . . . . 3.35 112.46 -173.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -71.71 -45.37 62.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.776 0.831 . . . . 5.88 110.246 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.58 -40.27 82.68 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.695 -0.628 . . . . 2.94 110.864 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.6 mt -55.8 -47.14 79.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.121 0.569 . . . . 0.91 109.93 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -54.08 -48.64 70.44 Favored 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.781 -0.574 . . . . 4.42 109.988 174.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.03 -47.02 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 118.627 -0.701 . . . . 2.02 110.712 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -54.29 -50.39 67.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.673 1.124 . . . . 0.82 109.685 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.6 -50.11 68.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.452 0.701 . . . . 1.46 110.508 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -55.22 -45.42 75.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.847 1.259 . . . . 3.38 110.13 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -61.06 2.5 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 125.101 1.36 . . . . 2.58 110.103 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -56.36 -47.04 79.68 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.059 0.944 . . . . 4.78 110.819 -172.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -77.42 9.24 3.38 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.547 0.943 . . . . 4.47 113.547 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 21.9 ttt -144.06 31.09 1.27 Allowed 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.305 1.042 . . . . 6.38 108.809 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -84.19 46.41 1.2 Allowed 'General case' 0 C--O 1.236 0.352 0 O-C-N 120.681 -1.262 . . . . 5.76 113.407 -163.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.4 t 54.06 37.49 27.02 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 124.556 1.142 . . . . 6.82 110.063 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -151.71 -38.62 0.12 Allowed 'General case' 0 C--O 1.231 0.114 0 C-N-CA 124.568 1.147 . . . . 5.29 109.679 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.54 50.12 0.81 Allowed 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 121.133 -0.98 . . . . 8.05 108.479 161.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -170.11 -89.6 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.019 1.728 . . . . 9.73 106.608 -167.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -88.71 170.04 11.14 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.105 0.962 . . . . 12.09 110.637 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.2 t -166.24 158.21 13.93 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.702 1.601 . . . . 11.76 108.209 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.77 3.06 3.48 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.098 1.359 . . . . 15.61 111.198 158.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -175.85 75.51 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.814 2.446 . . . . 15.23 109.119 174.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.9 t 48.73 27.63 1.6 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.302 1.041 . . . . 13.81 113.087 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m 156.58 159.06 0.01 OUTLIER Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 129.623 3.169 . . . . 16.46 106.068 -163.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -80.63 -151.36 0.04 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.465 2.776 . . . . 17.93 106.81 161.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -83.7 138.16 33.43 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.056 -2.201 . . . . 22.24 105.056 159.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 129.165 2.986 . . . . 22.66 108.866 -159.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 40.3 tpp . . . . . 0 N--CA 1.472 0.64 0 N-CA-C 106.025 -1.843 . . . . 32.03 106.025 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -146.8 164.81 31.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.106 1.362 . . . . 28.92 107.409 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t 61.71 -160.23 0.31 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.132 0.973 . . . . 25.25 110.868 167.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.89 33.96 21.1 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.074 1.35 . . . . 24.79 111.357 174.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -76.85 78.11 3.44 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.217 0.607 . . . . 21.78 109.701 -173.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.9 p 52.05 94.17 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.13 1.772 . . . . 15.79 113.257 164.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 50.9 ttp85 -45.6 -36.96 5.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.728 1.211 . . . . 12.46 112.025 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.18 -173.44 3.63 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.171 -1.048 . . . . 8.6 108.171 -173.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 p -73.56 -173.88 1.56 Allowed 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 126.84 2.056 . . . . 3.7 109.754 173.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 82.06 175.45 0.09 Allowed 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 130.458 3.503 . . . . 2.36 110.201 -172.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.08 165.77 29.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.77 1.628 . . . . 1.34 108.258 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -56.03 -51.29 68.34 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.019 -0.734 . . . . 7.68 109.019 171.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -50.92 -54.43 24.19 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.21 0.604 . . . . 2.01 110.289 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.737 ' HG2' HD22 ' A' ' 38' ' ' LEU . 9.4 mt-30 -57.62 -52.06 66.95 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 109.567 -0.531 . . . . 1.74 109.567 -173.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 m -52.06 -48.23 64.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.571 -0.741 . . . . 1.11 110.237 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -47.41 80.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.465 -0.779 . . . . 1.35 110.654 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -63.82 -44.54 92.93 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 119.709 1.14 . . . . 3.14 109.828 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD22 ' CE3' ' A' ' 48' ' ' TRP . 2.7 mt -54.65 -46.15 73.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.919 0.39 . . . . 1.4 111.885 176.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -46.06 85.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.797 0.839 . . . . 2.42 110.801 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -53.94 -49.81 67.85 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.147 -0.971 . . . . 3.37 109.289 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.61 -38.99 79.19 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.67 1.188 . . . . 3.39 110.758 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.62 -43.11 97.82 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.795 -0.565 . . . . 1.05 110.883 174.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -62.35 -32.05 72.78 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.866 -0.522 . . . . 2.88 110.49 173.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -47.81 79.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 108.699 -0.852 . . . . 2.45 108.699 176.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -165.66 154.01 11.3 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 122.763 0.425 . . . . 3.2 110.645 -172.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -82.41 -19.42 39.07 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.863 0.465 . . . . 4.22 111.442 176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -137.93 125.17 21.68 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.164 1.785 . . . . 2.67 106.568 172.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.521 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -81.1 155.04 4.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 118.619 0.645 . . . . 1.77 109.834 178.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -67.29 146.75 53.81 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 106.744 -1.576 . . . . 1.15 106.744 169.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -63.19 -35.98 82.11 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 117.97 -1.492 . . . . 3.81 110.837 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -55.74 16.63 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 109.049 -0.722 . . . . 4.9 109.049 174.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -65.68 -39.48 91.35 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.562 -0.455 . . . . 2.2 110.483 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.521 ' HG3' HD12 ' A' ' 26' ' ' ILE . 22.3 ttm105 -64.25 -44.35 92.06 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 120.483 -1.386 . . . . 2.81 110.534 -172.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.44 -47.16 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.759 -0.46 . . . . 0.94 109.759 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.52 -62.85 1.39 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.769 1.628 . . . . 1.73 109.316 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -64.84 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 C-N-CA 126.698 1.999 . . . . 1.7 107.725 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.77 -45.81 14.84 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 119.8 1.182 . . . . 0.66 110.991 -175.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -64.75 -52.54 56.45 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.653 -1.158 . . . . 1.5 110.138 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.22 -33.43 75.74 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.821 0.448 . . . . 0.85 111.999 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.737 HD22 ' HG2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -81.74 -27.5 33.82 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 106.749 -1.574 . . . . 1.46 106.749 -163.149 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t 79.97 44.81 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.867 2.067 . . . . 2.15 109.021 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.535 HD22 ' NE2' ' A' ' 12' ' ' GLN . 17.7 tp -156.66 141.49 17.02 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 108.089 -1.078 . . . . 1.71 108.089 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.7 p -77.33 155.26 32.1 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.105 0.78 . . . . 1.11 113.105 -159.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -59.1 -39.98 83.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.069 -0.715 . . . . 3.17 109.069 172.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -51.85 -58.58 6.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.108 0.963 . . . . 5.37 110.117 171.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -54.31 -49.81 68.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.874 0.47 . . . . 3.4 110.69 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mt -59.45 -48.19 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 123.833 0.853 . . . . 0.79 110.879 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -50.86 -50.97 55.81 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.897 0.879 . . . . 3.3 109.277 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mp -62.43 -54.98 26.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-O 118.203 -0.903 . . . . 1.51 109.555 173.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.43 ' CE3' HD22 ' A' ' 16' ' ' LEU . 46.0 t90 -47.89 -49.43 29.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 119.806 1.185 . . . . 0.85 110.572 -171.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 26' ' ' ILE . 16.8 m-85 -64.42 -40.18 95.26 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.546 0.738 . . . . 1.21 112.0 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -62.17 -42.1 98.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.45 1.1 . . . . 4.12 110.954 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 127.279 2.232 . . . . 2.98 109.605 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -46.61 -54.54 9.28 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.473 1.909 . . . . 4.0 111.278 -167.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -54.88 -18.22 4.63 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.875 1.065 . . . . 2.94 113.875 -175.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.7 ptm -141.06 31.19 1.78 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.373 0.669 . . . . 5.28 111.106 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -80.25 45.93 0.79 Allowed 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.266 -0.897 . . . . 5.16 112.794 -172.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 m 34.12 46.6 0.16 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 127.939 2.495 . . . . 6.91 114.474 172.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.65 -51.98 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 105.246 -2.131 . . . . 7.92 105.246 -178.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -81.43 49.29 1.27 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 107.883 -1.154 . . . . 6.54 107.883 159.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -163.94 -96.02 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.866 2.466 . . . . 7.67 104.839 -175.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.3 99.31 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.633 1.573 . . . . 10.38 108.819 -178.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -66.58 78.52 0.11 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.152 0.977 . . . . 11.91 112.37 -169.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.0 tp -163.24 160.02 23.46 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 127.383 2.273 . . . . 13.8 106.936 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -164.8 120.65 1.45 Allowed 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 103.224 -2.88 . . . . 16.1 103.224 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 p 48.56 -133.79 1.36 Allowed 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 112.761 0.652 . . . . 18.45 112.761 -159.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.545 ' H ' ' HD2' ' A' ' 66' ' ' PRO . 4.2 m -157.43 -48.73 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 117.202 2.297 . . . . 21.06 117.202 -174.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.545 ' HD2' ' H ' ' A' ' 65' ' ' SER . 98.9 Cg_endo -80.84 75.97 4.76 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.727 2.285 . . . . 24.57 110.195 -164.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.74 -26.29 61.61 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.341 1.056 . . . . 26.93 111.542 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 CA--C 1.536 0.407 0 C-N-CA 128.746 2.818 . . . . 32.7 108.47 -176.713 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 108.619 -0.882 . . . . 24.83 108.619 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -61.36 121.52 12.83 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.372 0.669 . . . . 21.39 110.28 -178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.6 m -74.1 5.71 4.11 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.228 0.825 . . . . 19.89 113.228 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -54.82 -69.57 0.13 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.164 -1.421 . . . . 17.77 107.164 158.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 33.29 73.0 0.07 Allowed 'General case' 0 C--N 1.342 0.272 0 C-N-CA 126.89 2.076 . . . . 21.96 111.738 172.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.8 p 44.92 93.31 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 126.639 1.976 . . . . 13.34 111.922 -175.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -103.95 72.06 1.08 Allowed 'General case' 0 C--O 1.227 -0.096 0 CA-C-O 121.85 0.833 . . . . 13.18 108.956 175.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -179.51 0.55 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.235 1.414 . . . . 7.4 110.083 172.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.04 172.57 11.45 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 126.182 1.793 . . . . 3.24 111.681 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -123.73 145.6 48.89 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 104.462 -2.421 . . . . 2.29 104.462 159.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.99 169.83 12.33 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.766 1.626 . . . . 1.57 107.489 170.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -48.96 79.58 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.143 -1.058 . . . . 5.87 108.143 173.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -50.94 -57.29 8.91 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 118.407 0.548 . . . . 1.53 110.378 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.609 ' NE2' HD12 ' A' ' 40' ' ' LEU . 2.3 mt-30 -54.15 -57.71 10.11 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.68 0.752 . . . . 1.77 109.032 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -53.19 -34.18 55.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 117.465 -1.255 . . . . 0.69 112.62 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.05 -47.92 69.87 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 121.393 1.906 . . . . 0.8 108.601 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.5 tp10 -61.97 -40.06 94.29 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.563 0.697 . . . . 3.09 109.662 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.44 -49.71 75.74 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.094 0.957 . . . . 1.51 111.559 172.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.9 -57.94 3.03 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.409 2.284 . . . . 3.99 111.495 173.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -61.87 -44.78 96.13 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.206 -0.598 . . . . 3.85 111.315 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.78 -37.77 80.01 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-O 121.529 0.68 . . . . 3.89 110.221 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -63.39 -46.03 88.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.96 -0.462 . . . . 1.16 110.435 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.62 -34.61 69.49 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 110.514 -0.18 . . . . 2.83 110.514 172.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.87 -51.22 65.6 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.585 0.754 . . . . 2.59 110.33 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.54 110.99 0.67 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.212 1.005 . . . . 2.25 110.325 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' A' ' 24' ' ' ARG . 12.1 ptt85 -65.61 -10.47 35.95 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.216 1.406 . . . . 4.17 112.19 -173.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -125.18 95.88 4.64 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 105.635 -1.987 . . . . 2.82 105.635 166.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.578 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -69.21 151.01 10.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.278 -0.569 . . . . 1.83 110.688 -171.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -62.08 149.02 42.36 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.886 -1.153 . . . . 1.23 107.886 170.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -54.32 -49.12 70.43 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.816 0.734 . . . . 5.02 109.981 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -52.66 -57.95 8.42 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 108.863 -0.792 . . . . 4.45 108.863 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpt85 -57.33 -36.84 71.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.609 0.568 . . . . 2.32 110.24 -175.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.578 ' HG3' HD12 ' A' ' 26' ' ' ILE . 8.5 ttm180 -71.83 -49.96 33.78 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.726 -0.609 . . . . 3.24 111.261 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.13 -41.78 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 119.488 1.04 . . . . 2.09 109.16 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -63.05 1.27 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.901 1.28 . . . . 1.91 107.569 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.421 ' CD1' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.43 -51.89 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 C-N-CA 122.328 0.251 . . . . 1.25 110.667 -178.677 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.96 -38.81 24.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.142 0.428 . . . . 0.58 110.345 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -72.85 -68.73 0.46 Allowed 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 123.272 0.357 . . . . 1.47 110.18 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.36 80.13 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.138 0.975 . . . . 0.72 112.581 -169.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 15' ' ' GLU . 2.4 tt -78.76 -15.07 58.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.522 1.529 . . . . 0.93 109.855 -178.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 t 59.76 73.81 0.47 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.448 1.099 . . . . 1.79 109.933 -172.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.609 HD12 ' NE2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -139.79 -149.54 0.29 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 106.582 -1.636 . . . . 1.41 106.582 166.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.2 p -154.19 165.06 37.44 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 120.741 1.61 . . . . 1.21 110.514 172.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.48 -46.65 66.15 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.531 1.132 . . . . 5.6 112.561 -159.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -62.73 -40.55 97.55 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.173 -0.677 . . . . 7.15 109.173 176.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.39 -50.66 73.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.923 0.889 . . . . 4.05 109.238 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 mt -59.61 -45.34 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 0.73 110.552 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -52.88 -51.36 61.43 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.236 -1.024 . . . . 3.75 108.236 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.4 mt -60.2 -46.19 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.656 0.782 . . . . 2.06 111.274 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -58.83 -51.37 70.3 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 118.898 0.772 . . . . 0.65 109.195 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.96 -33.75 76.53 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.542 1.137 . . . . 1.36 111.805 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -61.47 -47.9 83.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.567 0.747 . . . . 4.12 109.603 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -69.87 -44.44 69.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.127 1.371 . . . . 2.41 108.782 -174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 tpt85 -49.31 -39.42 31.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 128.322 2.649 . . . . 4.32 112.413 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -49.75 -29.65 8.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.065 0.946 . . . . 2.97 112.153 176.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.8 ttp -123.87 49.19 1.77 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.814 1.246 . . . . 6.3 110.688 168.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -117.02 -106.52 0.39 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 105.058 -2.201 . . . . 7.96 105.058 158.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 m -84.62 60.72 6.27 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 122.323 1.059 . . . . 10.06 108.844 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.01 -19.48 0.1 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 126.337 1.855 . . . . 9.82 110.442 162.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -88.86 45.4 1.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.145 -1.057 . . . . 9.44 108.145 161.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -107.96 -63.64 1.3 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 126.974 2.11 . . . . 9.72 109.239 -174.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.6 ttp85 -142.23 152.99 43.62 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.339 1.056 . . . . 17.23 108.888 173.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.65 159.94 17.94 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.004 0.922 . . . . 11.55 110.548 -176.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.7 tp -53.59 143.74 19.24 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.411 -0.959 . . . . 17.62 108.411 164.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -154.04 173.9 15.4 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.961 -1.496 . . . . 18.67 106.961 -170.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.8 t -161.02 -163.89 1.1 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.528 0.731 . . . . 22.62 109.575 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.348 45.9 t 128.63 -72.73 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.234 0 C-N-CA 130.305 3.442 . . . . 26.81 107.911 -172.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.83 63.91 3.97 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.587 2.858 . . . . 26.4 108.821 164.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -68.09 -25.61 65.41 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.2 0.524 . . . . 28.73 109.717 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 104.167 -2.531 . . . . 33.43 104.167 159.245 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 33.5 ttm . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 107.003 -1.48 . . . . 28.85 107.003 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 37.32 42.65 0.32 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.103 1.761 . . . . 23.09 114.743 158.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m -83.27 51.22 1.92 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.873 0.869 . . . . 23.4 110.543 -171.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -168.4 47.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.436 0.694 . . . . 23.26 110.544 -164.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.57 127.97 18.89 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.695 0.798 . . . . 21.74 109.262 174.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.7 p -153.99 106.79 2.87 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 103.968 -2.604 . . . . 14.04 103.968 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.28 149.67 3.86 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.708 1.603 . . . . 10.81 111.122 -168.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -65.01 161.54 18.5 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.844 -0.428 . . . . 6.13 109.844 176.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.344 0.1 OUTLIER 64.08 135.58 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 127.051 2.14 . . . . 3.59 112.773 -169.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -117.07 142.87 46.43 Favored 'General case' 0 C--O 1.231 0.098 0 N-CA-C 108.324 -0.991 . . . . 2.06 108.324 -163.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.48 163.42 23.42 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.772 0.796 . . . . 1.17 112.224 -177.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -54.51 -47.97 72.45 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.596 -0.729 . . . . 5.38 109.273 169.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -63.48 -45.65 89.76 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-O 118.858 -0.592 . . . . 2.81 110.168 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.574 ' NE2' HD13 ' A' ' 40' ' ' LEU . 7.1 mt-30 -53.84 -51.04 64.84 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.114 -0.699 . . . . 1.48 109.114 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.6 m -59.83 -44.44 94.04 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.251 0.621 . . . . 0.72 111.597 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -47.68 81.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.396 0.998 . . . . 0.8 110.032 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.457 ' HG2' ' HG ' ' A' ' 38' ' ' LEU . 37.7 tp10 -53.92 -48.77 69.85 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 124.365 1.066 . . . . 2.91 108.207 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -42.17 98.83 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.826 0.85 . . . . 1.22 112.139 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -65.59 -46.6 78.76 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.88 -1.137 . . . . 2.91 111.452 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -32.29 73.88 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.836 -1.165 . . . . 3.3 110.245 175.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -59.58 -37.89 79.71 Favored 'General case' 0 C--O 1.225 -0.193 0 O-C-N 121.327 -0.858 . . . . 3.58 110.451 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -44.77 94.19 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 107.782 -1.192 . . . . 1.74 107.782 176.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.51 -34.93 73.23 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 122.016 -0.428 . . . . 2.88 111.297 172.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -63.9 -44.71 92.18 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.82 0.848 . . . . 2.08 109.736 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -170.45 148.39 3.13 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.598 1.159 . . . . 3.0 109.209 -175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -69.15 -29.94 68.07 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.446 -0.784 . . . . 4.64 111.163 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -145.47 141.84 28.71 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.457 1.503 . . . . 3.32 107.044 171.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.557 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -87.88 162.02 2.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.547 0.689 . . . . 1.48 112.615 -165.74 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.65 146.2 55.1 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.104 -1.443 . . . . 1.28 107.104 165.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -63.89 -36.05 82.67 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 118.544 -1.263 . . . . 4.55 110.762 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -54.82 -52.17 63.54 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.322 0.51 . . . . 4.84 110.406 173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -64.66 -45.48 86.56 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.113 -0.699 . . . . 2.23 109.113 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HG3' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -59.31 -40.9 87.72 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 122.126 -0.359 . . . . 2.79 110.731 -177.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.58 -46.75 94.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 C-N-CA 123.287 0.635 . . . . 1.32 110.366 173.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -63.03 1.28 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 108.55 -0.907 . . . . 2.31 108.55 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.431 HG23 HD12 ' A' ' 38' ' ' LEU . 1.7 mm -40.14 -67.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 125.835 1.654 . . . . 1.27 110.542 169.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.82 -42.5 7.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.161 -0.962 . . . . 0.99 111.685 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -69.57 -45.7 68.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.67 0.388 . . . . 1.81 111.654 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.99 -51.04 5.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.881 1.324 . . . . 1.11 110.414 -172.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HG ' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -69.37 -14.29 62.83 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 128.227 2.611 . . . . 1.1 109.867 -177.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m 66.91 37.36 4.0 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 124.793 1.237 . . . . 1.75 111.603 165.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD13 ' NE2' ' A' ' 12' ' ' GLN . 4.8 tp -117.69 -163.96 0.97 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.649 -0.871 . . . . 1.21 108.649 163.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 p -144.2 148.82 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.933 1.242 . . . . 1.06 110.826 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -48.56 -49.16 37.6 Favored 'General case' 0 C--N 1.342 0.272 0 C-N-CA 123.596 0.758 . . . . 3.38 112.777 -171.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -56.76 -47.99 78.85 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 123.905 0.882 . . . . 4.92 110.777 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -48.9 79.93 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.291 1.036 . . . . 4.55 108.387 -176.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 30.8 mt -64.08 -46.92 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 C-N-CA 124.971 1.309 . . . . 0.83 110.355 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -51.79 -53.0 44.75 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.94 -0.763 . . . . 4.6 108.94 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.64 -46.71 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.103 0.561 . . . . 1.61 110.414 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -55.56 -50.53 69.79 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.156 0.889 . . . . 0.75 109.812 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -56.67 -48.51 77.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.486 -0.561 . . . . 1.34 109.486 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -49.86 -55.01 15.93 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 124.035 0.834 . . . . 4.82 109.615 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.37 -46.13 46.76 Favored 'General case' 0 CA--C 1.527 0.087 0 C-N-CA 125.906 1.682 . . . . 2.65 111.325 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.91 -33.62 62.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.497 1.519 . . . . 4.65 110.9 -171.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -34.62 -61.37 0.4 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.461 1.104 . . . . 4.58 111.863 -176.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 60.4 mtp -120.63 68.06 0.86 Allowed 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.015 -1.105 . . . . 6.42 108.015 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -62.14 -20.91 64.59 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.234 -0.439 . . . . 4.84 110.806 168.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . 0.271 66.4 m 57.68 40.21 26.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 122.393 1.092 . . . . 5.55 112.28 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 -42.18 0.09 Allowed 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 113.244 -1.798 . . . . 5.98 108.396 158.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -81.01 49.06 1.18 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 107.081 -1.452 . . . . 8.84 107.081 162.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 t0 174.69 -122.65 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.759 2.823 . . . . 7.28 104.245 -158.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.2 mmt-85 -48.64 126.63 12.14 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.509 1.524 . . . . 9.64 111.81 -174.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.3 m -145.6 140.21 27.22 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.817 -1.549 . . . . 10.94 106.817 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 tp -165.05 -170.01 1.82 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.033 -2.21 . . . . 13.71 105.033 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.11 166.36 11.13 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.067 -1.457 . . . . 18.26 107.067 166.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -153.97 64.82 0.71 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.035 -1.098 . . . . 19.17 108.035 159.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.436 ' CB ' ' CD ' ' A' ' 66' ' ' PRO 0.301 15.0 m -145.29 -86.53 0.0 OUTLIER Pre-proline 0 CA--C 1.54 0.576 0 CA-C-O 118.114 -0.946 . . . . 23.1 112.517 178.224 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 65' ' ' SER . 75.9 Cg_endo -71.21 72.3 2.2 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.939 3.093 . . . . 24.29 111.728 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.41 73.44 0.72 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 106.304 -1.739 . . . . 27.98 106.304 162.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 36.1 m80 . . . . . 0 N--CA 1.436 -1.141 0 C-N-CA 126.306 1.843 . . . . 30.28 110.983 -160.739 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 123.097 1.427 . . . . 24.93 109.566 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.87 65.83 8.49 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 123.139 1.447 . . . . 20.11 110.933 -158.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.1 t -81.27 61.23 4.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.321 -1.308 . . . . 21.24 108.144 166.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -140.97 -57.67 0.5 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.148 0.579 . . . . 19.43 110.29 -175.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 164.33 145.35 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 128.966 2.906 . . . . 21.81 103.741 -167.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.9 p 44.15 93.15 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 126.846 2.058 . . . . 13.34 111.958 169.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.43 97.84 10.1 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.458 -0.792 . . . . 13.71 109.726 -169.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.42 ' NE2' ' H ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -66.87 162.43 21.73 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.234 0.613 . . . . 7.01 109.524 173.204 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.42 ' H ' ' NE2' ' A' ' 6' ' ' GLN . 7.2 p -74.15 -173.65 1.71 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.594 1.958 . . . . 4.39 110.203 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 m-30 87.65 164.85 0.07 Allowed 'General case' 0 N--CA 1.434 -1.254 0 C-N-CA 130.597 3.559 . . . . 2.6 111.296 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.63 170.75 15.33 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.718 1.607 . . . . 1.26 108.319 178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.17 -56.16 20.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.605 -0.887 . . . . 3.99 108.605 170.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -51.41 -55.5 18.34 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.033 0.533 . . . . 1.51 110.004 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.568 HE22 HD13 ' A' ' 40' ' ' LEU . 2.0 tt0 -53.97 -52.48 60.55 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.912 0.387 . . . . 1.45 110.697 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 m -58.87 -43.48 90.87 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.611 -0.709 . . . . 0.7 110.697 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -46.32 90.0 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.808 1.185 . . . . 0.68 109.295 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -53.82 -54.79 33.44 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.094 -1.076 . . . . 3.51 108.094 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.78 -33.68 73.35 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.828 1.651 . . . . 1.19 112.594 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.99 -51.64 30.81 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 107.927 -1.138 . . . . 2.32 107.927 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.6 51.31 0.89 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.794 1.283 . . . . 3.47 111.236 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' HG3' ' CD1' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -156.45 -38.81 0.08 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 129.759 3.224 . . . . 3.11 105.609 -172.22 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -63.15 -33.57 75.76 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 120.708 -1.245 . . . . 0.92 109.408 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -66.18 -30.9 71.45 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.963 -1.086 . . . . 3.54 111.337 169.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -64.99 -61.41 2.17 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.422 1.489 . . . . 2.07 110.044 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.63 108.08 0.09 Allowed 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 124.292 1.037 . . . . 2.47 109.019 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -56.31 23.69 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-O 121.371 0.605 . . . . 6.96 110.88 -168.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -78.07 90.55 4.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.609 -1.626 . . . . 2.44 106.609 167.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.553 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -63.56 151.09 9.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.884 0.373 . . . . 1.76 110.856 -171.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -57.48 144.31 37.26 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 107.428 -1.323 . . . . 1.2 107.428 173.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -56.82 -43.85 81.43 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.372 0.987 . . . . 7.53 110.195 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -61.53 -47.7 84.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.625 -0.43 . . . . 6.29 110.157 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -60.41 -43.74 96.41 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 109.509 -0.552 . . . . 2.17 109.509 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.553 ' HG3' HD12 ' A' ' 26' ' ' ILE . 11.9 ttm180 -63.77 -41.95 97.89 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 121.771 -0.581 . . . . 2.71 109.457 -175.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.44 -49.49 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 118.655 0.661 . . . . 1.29 110.243 172.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -63.0 1.29 Allowed 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 124.361 1.064 . . . . 2.0 108.134 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -53.63 -53.53 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 C-N-CA 124.348 1.059 . . . . 1.04 110.74 178.328 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.44 18.92 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.952 0.796 . . . . 0.68 110.138 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -68.66 -69.5 0.32 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.706 -0.679 . . . . 1.24 110.381 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.02 79.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.172 0.989 . . . . 0.52 112.853 -170.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.36 -8.35 59.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.274 1.83 . . . . 0.86 110.078 -177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 p 51.99 63.93 2.05 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.449 1.499 . . . . 1.95 113.016 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.568 HD13 HE22 ' A' ' 12' ' ' GLN . 15.4 tp -147.02 157.53 43.64 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 108.548 -0.908 . . . . 1.61 108.548 166.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 p -83.02 147.87 27.9 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 119.36 0.982 . . . . 1.0 109.988 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -39.83 90.9 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 124.856 1.262 . . . . 4.71 110.65 -175.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.53 -51.81 67.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.505 0.722 . . . . 5.33 109.826 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.58 -42.95 97.75 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.835 0.854 . . . . 4.06 109.983 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.3 mt -55.57 -51.98 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.163 1.385 . . . . 0.88 110.418 169.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -51.06 -48.33 61.59 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.004 0.82 . . . . 3.29 108.817 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.17 -48.42 82.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 118.248 -0.882 . . . . 1.95 110.469 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -54.15 -48.56 70.74 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.044 1.293 . . . . 0.57 110.957 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 26' ' ' ILE . 42.9 m-85 -70.42 -19.06 63.02 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.547 -0.721 . . . . 1.32 111.864 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -55.87 10.4 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.835 -0.802 . . . . 3.89 108.835 163.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -55.48 8.6 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.636 1.974 . . . . 2.25 111.784 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.31 -50.73 8.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.568 1.947 . . . . 5.09 111.136 -174.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -49.81 -38.28 33.99 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.998 0.74 . . . . 4.11 112.998 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 51.1 mtm -135.22 43.98 2.62 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.158 0.583 . . . . 5.02 111.067 -171.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -79.0 46.38 0.69 Allowed 'General case' 0 CA--C 1.537 0.442 0 O-C-N 120.927 -1.108 . . . . 5.69 111.798 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' ARG . 49.4 m 63.54 83.53 0.16 Allowed 'General case' 0 C--O 1.21 -1.008 0 C-N-CA 126.089 1.756 . . . . 6.36 111.274 171.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER 58.07 23.85 10.53 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.046 1.338 . . . . 6.67 111.636 -166.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt 41.11 34.0 0.27 Allowed 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.811 2.044 . . . . 8.83 111.51 -159.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -173.34 -78.28 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.146 0 C-N-CA 122.993 0.517 . . . . 12.08 109.794 -160.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -162.37 108.86 1.27 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 107.879 -1.156 . . . . 15.35 107.879 -173.429 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.3 t -85.36 -172.78 4.33 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.203 0.525 . . . . 12.61 111.683 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -95.25 107.5 19.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.069 1.747 . . . . 15.97 106.438 166.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -103.62 14.98 29.99 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 128.385 2.674 . . . . 19.95 111.299 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 p 58.95 -148.33 0.48 Allowed 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.794 1.638 . . . . 21.77 111.35 -175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.4 t -174.98 81.0 0.32 Allowed Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 124.814 1.245 . . . . 26.06 108.182 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.25 173.68 14.09 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.239 1.959 . . . . 28.72 109.885 176.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.01 -134.09 0.12 Allowed 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 106.794 -1.558 . . . . 35.13 106.794 175.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 68.0 m80 . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 120.082 1.31 . . . . 39.72 109.953 167.397 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.9 ptp . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 108.621 -0.881 . . . . 26.41 108.621 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.33 40.04 3.78 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 121.06 0.457 . . . . 20.57 112.106 -158.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.4 m -72.93 66.07 0.77 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.499 0.72 . . . . 16.35 109.22 168.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' C ' ' HE ' ' A' ' 3' ' ' ARG . 47.5 mttm -75.06 64.12 1.33 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.026 0.93 . . . . 18.72 110.786 -173.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.409 ' HE ' ' C ' ' A' ' 2' ' ' LYS . 0.2 OUTLIER 51.57 -172.06 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 128.992 2.917 . . . . 19.63 112.072 -166.248 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.1 p 44.11 93.29 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 126.844 2.058 . . . . 11.39 112.85 -174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -79.0 -39.8 33.19 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.636 0.774 . . . . 11.94 110.91 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -67.44 154.87 40.36 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.737 0.78 . . . . 7.25 112.25 -161.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.8 p -93.55 166.03 12.45 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.677 1.991 . . . . 3.41 114.185 -162.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -135.23 159.53 41.26 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 127.228 2.211 . . . . 2.44 105.373 159.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.67 169.69 17.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.606 1.162 . . . . 1.78 108.092 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -58.0 -54.61 44.94 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.697 -0.853 . . . . 5.5 108.697 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -49.95 -54.57 19.01 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.868 0.867 . . . . 1.88 110.062 176.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' NE2' HD13 ' A' ' 40' ' ' LEU . 1.2 tt0 -53.74 -62.57 1.57 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 119.146 -0.454 . . . . 4.34 110.488 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.2 m -46.74 -44.16 18.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 118.495 -0.764 . . . . 1.02 111.165 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -53.48 57.78 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 119.705 1.138 . . . . 0.79 109.828 176.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.61 -45.66 81.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 122.351 1.072 . . . . 3.13 110.301 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.33 -32.12 73.6 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 126.86 2.064 . . . . 1.63 111.684 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -43.56 63.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.678 1.126 . . . . 2.4 108.564 176.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -50.26 67.74 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.879 0.847 . . . . 4.24 109.199 171.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.18 -34.0 72.99 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.877 0.871 . . . . 3.6 112.343 175.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.84 -50.38 69.11 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.458 -0.777 . . . . 1.0 110.004 176.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -54.37 -37.05 64.54 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.949 0.499 . . . . 3.66 110.405 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -63.63 -61.47 2.3 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.988 0.515 . . . . 2.4 110.322 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -155.07 105.52 2.54 Favored 'General case' 0 C--O 1.228 -0.067 0 C-N-CA 123.919 0.887 . . . . 2.78 109.349 -177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' H ' ' HG2' ' A' ' 24' ' ' ARG . 10.9 ptt85 -63.18 -8.66 8.53 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.474 1.11 . . . . 4.28 111.724 -175.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -135.32 91.05 2.69 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 127.265 2.226 . . . . 3.13 105.064 167.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.571 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -67.36 149.13 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.438 -0.788 . . . . 1.83 109.881 -173.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.81 149.58 46.61 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 117.953 -1.023 . . . . 0.98 108.694 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 -55.17 -47.01 75.76 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 120.866 1.666 . . . . 4.68 110.354 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -56.07 -51.4 68.0 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.96 -0.385 . . . . 5.11 109.96 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -46.77 85.92 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 109.634 -0.506 . . . . 2.5 109.634 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.571 ' HG3' HD12 ' A' ' 26' ' ' ILE . 7.0 ttm180 -60.76 -43.69 97.69 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.758 0.823 . . . . 2.5 110.214 -174.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.8 mt -67.4 -45.73 85.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.196 0 O-C-N 121.513 -0.742 . . . . 1.27 110.227 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.8 -63.04 1.28 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.999 -0.741 . . . . 1.94 108.999 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -47.82 -61.32 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 126.099 1.76 . . . . 1.22 108.215 175.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.36 -42.84 32.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.92 0.782 . . . . 0.63 111.143 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -63.03 -55.93 21.42 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.539 -0.541 . . . . 1.54 109.539 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.97 -32.35 70.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.174 0.59 . . . . 0.63 112.334 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.59 -4.9 58.94 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.448 1.099 . . . . 1.11 108.325 -171.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.5 t 62.39 43.22 8.26 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 126.134 1.774 . . . . 1.99 112.011 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD13 ' NE2' ' A' ' 12' ' ' GLN . 8.5 tp -134.27 -147.89 0.3 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.983 1.313 . . . . 1.74 111.477 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.4 p -153.34 156.26 38.0 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 121.092 -1.005 . . . . 1.12 111.822 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.52 -45.29 77.13 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.251 1.02 . . . . 3.48 110.064 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -54.56 -54.02 46.83 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.583 1.153 . . . . 7.83 110.765 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -57.35 -50.86 71.61 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.35 0.66 . . . . 2.87 109.78 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -57.17 -44.95 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.82 110.618 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.54 -51.07 61.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.1 0.56 . . . . 4.57 109.75 -178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.16 -58.12 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 CA-C-O 118.166 -0.921 . . . . 1.53 110.12 173.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.0 t90 -47.64 -48.2 28.86 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 109.306 -0.627 . . . . 0.71 109.306 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -63.31 -54.73 32.52 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 125.421 1.488 . . . . 1.49 111.476 176.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -49.87 -46.7 51.79 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.569 0.622 . . . . 3.56 110.342 -177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -56.48 21.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.478 1.911 . . . . 3.57 110.592 174.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 tpt85 -44.46 -40.02 5.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.865 1.666 . . . . 4.16 114.641 -172.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.58 -36.07 73.39 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.487 0.715 . . . . 2.95 112.23 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 65.2 mtt -118.47 58.37 0.83 Allowed 'General case' 0 C--O 1.235 0.322 0 C-N-CA 126.771 2.028 . . . . 4.96 107.6 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.54 -99.76 0.07 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.783 -1.192 . . . . 5.27 107.783 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 m -83.94 60.1 5.63 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 121.773 0.797 . . . . 8.16 110.388 -173.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' NZ ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -161.62 -38.29 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.456 1.902 . . . . 7.2 108.581 158.513 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -81.61 44.21 0.8 Allowed 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 125.438 1.495 . . . . 8.2 110.683 159.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' OD1' ' NZ ' ' A' ' 57' ' ' LYS . 13.4 p30 -105.17 -44.37 4.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 130.367 3.467 . . . . 8.6 107.702 172.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -175.73 105.76 0.08 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 128.569 2.748 . . . . 11.1 106.828 164.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.2 t -84.26 -167.1 1.63 Allowed 'General case' 0 C--N 1.345 0.409 0 N-CA-C 112.917 0.71 . . . . 9.14 112.917 -171.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.5 tp -139.69 159.66 41.66 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.027 2.131 . . . . 15.17 106.709 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t0 56.01 66.1 1.28 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 127.409 2.283 . . . . 17.25 108.464 -174.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 m -76.32 75.64 3.11 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 113.465 -1.698 . . . . 17.65 109.994 -172.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.256 14.5 m -145.33 -71.32 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 125.547 1.539 . . . . 20.45 110.457 168.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.7 64.92 6.68 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 124.17 3.247 . . . . 21.34 109.785 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -67.53 -26.51 66.36 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.403 2.001 . . . . 20.39 116.403 -158.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . 0.35 37.1 p-80 . . . . . 0 N--CA 1.466 0.36 0 C-N-CA 127.735 2.414 . . . . 23.19 115.354 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 104.354 -2.461 . . . . 29.91 104.354 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -141.9 -168.79 2.77 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.116 0.885 . . . . 23.34 111.018 -158.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t -170.14 171.17 7.02 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 104.616 -2.365 . . . . 20.15 104.616 -171.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -78.2 62.03 2.82 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.503 0.592 . . . . 20.08 110.313 -176.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 34.75 -103.2 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 128.115 2.566 . . . . 20.4 112.164 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 p -153.71 101.74 2.49 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.238 1.815 . . . . 12.47 106.857 177.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 68.08 0.3 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.939 1.295 . . . . 10.73 109.894 176.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 159.12 0.78 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.507 0.723 . . . . 6.4 110.85 -172.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p 72.61 152.64 0.13 Allowed 'General case' 0 N--CA 1.42 -1.949 0 C-N-CA 128.078 2.551 . . . . 3.57 110.509 -158.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -134.23 151.29 51.22 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.286 -2.116 . . . . 2.96 105.286 -176.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.65 163.74 20.77 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.221 -0.592 . . . . 1.05 111.058 167.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -54.68 -53.52 53.82 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.889 -0.782 . . . . 3.82 108.889 169.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.85 -48.35 75.67 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.156 -0.475 . . . . 2.44 110.016 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG2' HD22 ' A' ' 38' ' ' LEU . 30.0 mt-30 -56.43 -55.18 36.77 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 108.34 -0.985 . . . . 2.3 108.34 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -51.22 -48.85 61.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.641 0.655 . . . . 0.6 112.162 176.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -47.81 82.23 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.551 -0.718 . . . . 0.73 109.498 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -62.31 -41.75 98.79 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.447 0.699 . . . . 2.77 110.359 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.3 -38.04 79.24 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.716 1.207 . . . . 2.02 110.927 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -41.68 77.41 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.247 -1.533 . . . . 3.18 108.525 175.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -59.8 -35.45 74.7 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.855 -1.153 . . . . 3.35 111.22 174.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -62.49 -41.06 98.54 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.972 1.709 . . . . 4.08 110.35 172.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.04 -46.11 89.08 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.396 -1.335 . . . . 1.43 107.396 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -39.42 79.18 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.507 0.723 . . . . 5.3 111.527 171.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -63.67 -37.69 88.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.207 1.003 . . . . 2.03 108.679 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.449 ' ND2' HG23 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -178.21 119.43 0.09 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.822 1.649 . . . . 2.81 108.431 -175.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -56.38 -40.13 74.08 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 119.325 -0.369 . . . . 4.69 110.44 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -118.77 101.06 7.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.447 1.099 . . . . 4.66 108.484 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.449 HG23 ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.6 143.16 15.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 C-N-CA 123.306 0.642 . . . . 2.87 110.337 175.588 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -57.31 152.55 13.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.755 -0.657 . . . . 0.91 109.407 161.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -56.36 -41.23 75.81 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 119.957 -0.697 . . . . 4.03 110.243 174.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -50.99 71.21 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 118.459 0.572 . . . . 3.94 111.106 178.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -59.58 -39.93 85.75 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.359 0.599 . . . . 2.06 109.653 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -64.7 -43.47 93.38 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.396 -0.366 . . . . 3.08 111.457 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.1 mt -59.19 -49.02 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 123.29 0.636 . . . . 1.23 109.708 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -53.81 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 126.445 1.898 . . . . 2.06 108.75 -176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 38' ' ' LEU . 1.1 mt -54.03 -55.77 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.87 0.868 . . . . 1.19 110.787 173.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.94 -43.25 18.9 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.922 1.237 . . . . 0.56 110.807 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -67.37 -59.36 3.46 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.349 0.66 . . . . 1.78 110.692 -177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.73 -52.27 13.76 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.552 1.168 . . . . 0.61 111.298 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 ' HG2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -68.5 -15.14 63.44 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 127.277 2.231 . . . . 0.99 109.54 -175.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.7 m 75.34 51.99 0.07 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.474 1.509 . . . . 2.39 111.478 165.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.19 -178.98 5.98 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.25 -0.278 . . . . 2.86 110.25 173.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.56 135.57 48.79 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.597 0.237 . . . . 1.49 110.56 -173.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.12 -50.29 8.63 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.596 1.558 . . . . 4.53 112.422 176.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -40.45 89.76 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 121.135 -0.978 . . . . 9.02 111.236 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.8 -45.26 95.1 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 122.105 0.955 . . . . 3.09 109.983 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -47.37 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 C-N-CA 125.127 1.371 . . . . 1.94 109.244 172.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -52.99 -53.68 46.35 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.588 -0.893 . . . . 3.99 108.588 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.5 mt -59.18 -42.61 87.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 122.793 0.437 . . . . 2.12 110.625 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 68.0 t90 -55.8 -55.49 31.77 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 122.843 0.457 . . . . 0.57 110.276 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -56.41 -48.89 76.02 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.272 1.429 . . . . 1.25 110.227 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.59 -46.99 80.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.474 1.11 . . . . 3.87 109.367 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -59.51 4.68 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.437 -1.32 . . . . 2.5 107.437 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -51.22 -45.7 62.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.943 1.297 . . . . 4.73 110.73 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.81 -57.3 0.04 OUTLIER 'General case' 0 C--N 1.347 0.467 0 C-N-CA 126.817 2.047 . . . . 4.48 114.784 175.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 42.0 mtt -138.96 45.58 1.99 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.972 0.909 . . . . 6.52 109.051 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -118.37 -105.53 0.39 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 105.652 -1.981 . . . . 6.59 105.652 164.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -83.88 65.51 8.65 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 122.305 1.05 . . . . 8.11 108.92 177.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -150.91 -47.57 0.12 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.09 1.756 . . . . 11.82 107.903 163.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -77.14 50.4 0.75 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.883 0.873 . . . . 11.4 108.874 166.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.66 -72.64 0.13 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.896 1.678 . . . . 8.52 111.661 -161.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.43 114.01 4.53 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.181 -0.463 . . . . 13.53 111.462 -159.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.267 6.0 t 45.53 44.01 9.5 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.565 1.546 . . . . 12.39 111.407 -171.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.66 152.69 49.74 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 125.271 1.429 . . . . 12.39 107.175 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -105.09 164.73 11.59 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 103.909 -2.626 . . . . 13.96 103.909 158.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -164.59 63.94 0.14 Allowed 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.65 -1.241 . . . . 15.2 107.65 168.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 p -53.57 114.83 6.77 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 105.497 -2.038 . . . . 18.31 105.497 167.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.55 95.46 0.46 Allowed 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 122.462 2.108 . . . . 21.19 114.928 -158.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.11 -26.57 61.29 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 108.109 -1.071 . . . . 23.47 108.109 158.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.439 -1.02 0 C-N-CA 130.602 3.561 . . . . 24.48 104.999 158.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 106.831 -1.544 . . . . 22.44 106.831 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -165.23 170.44 14.81 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 107.486 -1.302 . . . . 17.96 107.486 -168.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 m -70.9 51.8 0.15 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.17 0.988 . . . . 15.07 111.073 168.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 34.16 46.26 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.223 1.809 . . . . 17.99 113.8 -178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 58.95 40.62 22.26 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 126.277 1.831 . . . . 20.73 113.552 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -153.76 111.8 3.57 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 104.61 -2.367 . . . . 11.44 104.61 171.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.14 81.45 0.12 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.512 1.925 . . . . 10.41 111.356 174.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -62.05 155.85 22.93 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 121.721 -0.612 . . . . 7.57 109.696 167.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -81.97 -173.83 4.71 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.095 1.358 . . . . 2.96 113.016 -172.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -132.11 166.03 22.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 127.57 2.348 . . . . 2.42 106.602 161.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 168.78 19.33 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.893 2.077 . . . . 1.23 105.876 173.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.98 46.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.487 -0.931 . . . . 5.1 108.487 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.87 -56.25 7.94 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 124.025 0.93 . . . . 2.69 110.528 173.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -55.87 25.39 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.834 0.349 . . . . 1.9 110.669 -173.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -55.02 -45.08 75.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.284 -0.865 . . . . 0.69 111.206 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -51.48 65.52 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 119.925 1.238 . . . . 1.01 110.227 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -55.56 -52.97 61.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.824 0.821 . . . . 3.26 109.094 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.2 -35.76 74.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.755 -0.657 . . . . 1.17 112.722 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.35 -38.43 71.62 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 118.698 0.681 . . . . 2.36 109.723 178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.68 -47.83 81.22 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 121.441 -0.787 . . . . 5.45 110.111 169.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.59 -41.02 80.34 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 122.727 1.251 . . . . 3.35 111.199 176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -63.39 -37.84 88.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 1.21 110.588 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -64.96 -27.38 68.8 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.752 -0.593 . . . . 2.96 110.963 170.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -52.57 60.19 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.555 -0.905 . . . . 2.25 108.555 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.449 HD21 ' HB ' ' A' ' 26' ' ' ILE . 15.6 p30 -168.66 166.19 11.89 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.354 0.661 . . . . 2.92 110.084 -170.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -96.35 3.62 52.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.427 1.091 . . . . 5.44 111.725 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -171.71 88.48 0.1 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.613 1.565 . . . . 3.41 108.265 -167.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -89.39 140.93 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 108.249 -1.019 . . . . 2.06 108.249 -173.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -56.02 151.23 12.3 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.732 0.696 . . . . 1.19 110.959 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -52.43 -49.91 63.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.421 0.555 . . . . 4.96 110.425 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -45.79 85.02 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.752 0.706 . . . . 3.99 109.853 -178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.63 -32.71 74.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.426 0.69 . . . . 3.23 110.06 -177.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -77.71 -35.58 51.88 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.425 1.09 . . . . 3.14 111.087 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.8 mt -61.9 -46.37 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.276 -0.89 . . . . 0.96 108.71 169.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -53.53 -63.2 1.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.106 1.763 . . . . 1.89 109.034 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 tt -53.12 -52.73 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.252 0 C-N-CA 123.434 0.693 . . . . 1.05 111.071 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.52 -41.02 28.79 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.545 1.066 . . . . 0.53 110.595 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.19 -54.64 11.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.481 -0.327 . . . . 1.69 110.72 -174.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.39 -44.83 67.21 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.16 0.584 . . . . 0.72 111.755 -175.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -42.21 86.36 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 126.027 1.731 . . . . 1.13 108.663 -175.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 t 95.61 72.35 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 128.556 2.743 . . . . 1.58 110.102 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 tp -158.59 -162.34 1.1 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.293 1.437 . . . . 1.46 108.055 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.0 p -133.74 156.96 47.02 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 120.707 1.594 . . . . 1.03 112.347 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.51 -32.79 72.85 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 4.03 111.57 -173.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -64.38 -51.7 61.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 120.557 -1.339 . . . . 5.74 109.947 172.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.57 -51.29 67.92 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.959 1.304 . . . . 2.94 109.458 -172.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mt -58.62 -47.12 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 124.19 0.996 . . . . 1.04 110.652 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -55.83 -46.34 78.16 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 118.743 -0.646 . . . . 4.78 111.337 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.6 mt -54.86 -56.94 8.18 Favored 'Isoleucine or valine' 0 C--N 1.34 0.165 0 CA-C-N 118.721 0.692 . . . . 1.99 109.309 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -49.86 -47.12 51.96 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 118.969 -0.539 . . . . 0.49 109.95 -174.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.08 -58.13 10.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.247 0.619 . . . . 1.47 110.761 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -48.51 -43.72 35.42 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.065 0.946 . . . . 3.61 110.897 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -65.34 0.71 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.85 1.66 . . . . 3.24 110.149 172.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.7 tpt85 -51.85 -39.38 58.79 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 126.829 2.052 . . . . 4.28 114.184 -173.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -13.81 61.36 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 113.92 1.082 . . . . 5.6 113.92 -168.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -155.06 54.33 0.64 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.33 -1.359 . . . . 6.22 107.33 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -83.68 -73.16 0.43 Allowed 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 116.257 1.947 . . . . 4.78 116.257 -165.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -152.07 40.22 0.62 Allowed 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.746 -1.205 . . . . 5.11 107.746 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -168.54 -24.08 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.055 -0.975 . . . . 7.78 111.816 -166.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.25 34.07 5.35 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 120.011 1.278 . . . . 7.92 112.27 171.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -157.64 -55.3 0.07 Allowed 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 108.406 -0.961 . . . . 9.16 108.406 -162.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -129.33 166.8 18.77 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.857 2.463 . . . . 11.25 104.863 162.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 m 48.23 51.4 14.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.49 0.662 . . . . 8.7 109.764 -176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.11 110.57 1.24 Allowed 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.793 -0.817 . . . . 13.44 108.793 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.86 145.8 25.19 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 104.475 -2.417 . . . . 13.45 104.475 -176.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.48 135.89 0.19 Allowed 'General case' 0 N--CA 1.436 -1.168 0 O-C-N 124.26 0.975 . . . . 17.02 108.738 158.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -63.23 3.89 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 117.992 0.36 . . . . 20.5 110.401 160.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -77.3 69.01 7.32 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 123.648 2.898 . . . . 21.21 109.225 171.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -98.15 -136.19 0.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 106.693 -1.595 . . . . 23.25 106.693 164.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.611 0 N-CA-C 105.742 -1.947 . . . . 25.44 105.742 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 92.7 mtp . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 106.253 -1.758 . . . . 28.4 106.253 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -160.88 151.94 18.78 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 106.512 -1.662 . . . . 23.56 106.512 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.0 m 47.44 78.8 0.07 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.631 1.573 . . . . 23.03 111.285 174.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.0 mttt 75.98 -47.0 0.56 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.768 1.627 . . . . 26.05 112.415 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.12 -83.38 0.07 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.989 2.115 . . . . 26.8 109.164 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.74 107.84 1.95 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.514 1.126 . . . . 17.17 107.974 175.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -72.54 -50.46 25.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.332 1.453 . . . . 13.98 110.52 -171.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.84 -173.51 0.6 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 127.186 2.194 . . . . 9.44 105.743 -167.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -73.35 -173.75 1.45 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 125.178 1.391 . . . . 4.12 109.424 168.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 72.54 141.0 0.06 Allowed 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 129.291 3.036 . . . . 2.29 110.792 -173.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.87 161.09 29.86 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.105 0.955 . . . . 1.44 111.671 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -57.83 -51.05 71.19 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.445 -0.946 . . . . 5.23 108.445 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -51.41 -47.72 62.87 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 123.451 0.7 . . . . 2.16 110.23 174.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -53.59 -56.32 18.18 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.061 -0.718 . . . . 1.39 109.061 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.6 m -56.58 -47.63 79.13 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.981 0.512 . . . . 0.63 111.403 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -48.63 79.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.113 0.565 . . . . 0.99 109.901 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -54.24 -43.32 70.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.278 1.431 . . . . 3.04 109.163 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.22 -42.11 84.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 124.54 1.136 . . . . 1.12 112.486 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -36.57 70.0 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.4 -1.333 . . . . 3.11 107.4 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -59.28 -48.58 81.09 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.731 -1.231 . . . . 3.05 110.045 170.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -56.6 -36.23 69.15 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 120.986 -1.071 . . . . 3.22 111.612 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -63.38 -42.76 98.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.273 -0.876 . . . . 1.01 109.043 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.76 -25.62 66.63 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 119.09 -0.481 . . . . 2.94 111.631 170.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -58.63 6.29 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 107.972 -1.121 . . . . 2.22 107.972 175.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -158.89 135.51 9.41 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.652 -1.61 . . . . 3.69 106.652 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -60.72 -19.77 59.58 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.408 0.549 . . . . 6.03 110.987 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -133.99 97.42 3.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.452 1.901 . . . . 2.65 109.617 168.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.34 155.07 6.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 N-CA-C 109.004 -0.739 . . . . 2.45 109.004 165.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -63.75 152.92 37.98 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.429 0.691 . . . . 1.02 110.647 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -59.54 -52.34 65.96 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.329 -0.857 . . . . 6.19 109.911 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -40.8 -55.95 2.31 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.99 1.316 . . . . 3.71 110.129 174.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -70.09 -38.65 75.74 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 119.658 -0.817 . . . . 2.5 109.941 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm105 -59.82 -47.99 83.47 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 119.714 1.143 . . . . 4.45 111.736 -172.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.39 -56.76 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-O 122.211 1.005 . . . . 2.14 109.381 174.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.09 -63.05 1.27 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.179 2.592 . . . . 3.47 109.026 -172.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -59.36 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 C-N-CA 126.244 1.817 . . . . 1.35 108.773 173.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.19 -38.85 63.2 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 119.396 0.998 . . . . 0.95 110.717 -173.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -62.09 -60.41 3.64 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.169 0.918 . . . . 2.29 108.686 176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.19 -29.75 67.7 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.56 0.948 . . . . 0.88 113.56 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 -4.18 53.7 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.253 1.421 . . . . 1.01 109.147 -170.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t 65.61 40.5 4.46 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 125.487 1.515 . . . . 2.65 112.449 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tp -121.29 -140.3 0.33 Allowed 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 107.68 -1.23 . . . . 1.55 107.68 169.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 p -151.61 168.45 24.91 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 120.773 1.624 . . . . 1.17 109.437 169.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -65.65 -39.21 91.14 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.249 1.024 . . . . 3.49 109.926 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -59.51 5.23 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 123.641 0.776 . . . . 9.05 109.018 171.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.53 -39.92 92.78 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 119.098 -0.477 . . . . 3.33 111.554 -171.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mt -60.91 -54.61 32.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 N-CA-C 108.596 -0.89 . . . . 0.96 108.596 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -51.43 -49.02 62.48 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.546 0.612 . . . . 4.86 110.907 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 56.4 mt -63.19 -42.94 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 123.314 0.645 . . . . 1.77 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -59.03 -49.57 77.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.417 0.687 . . . . 0.6 110.114 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.59 -53.97 51.36 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.291 -1.003 . . . . 1.11 108.291 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -47.05 -54.22 10.81 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.778 -0.453 . . . . 3.64 109.778 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.78 -45.65 89.35 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.664 1.186 . . . . 2.84 108.861 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -83.74 -5.58 59.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.102 1.361 . . . . 5.4 112.091 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -77.73 -68.46 0.62 Allowed 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.175 -1.787 . . . . 3.6 106.175 158.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 30.5 ttm -81.8 43.89 0.79 Allowed 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 124.087 0.867 . . . . 5.3 109.182 -168.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -83.63 22.3 1.11 Allowed 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 120.849 -1.157 . . . . 5.87 111.918 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.2 m 33.48 50.64 0.29 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 126.665 1.986 . . . . 6.83 111.302 -159.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.57 -36.18 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 112.65 0.611 . . . . 6.74 112.65 175.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.75 34.5 0.72 Allowed 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.422 0.63 . . . . 7.63 110.875 159.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -179.95 -115.37 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.445 3.098 . . . . 8.98 104.692 -158.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.8 mtp85 -94.13 54.06 1.84 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.337 -1.477 . . . . 11.77 112.316 -159.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.7 m 33.29 61.67 0.42 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.844 1.794 . . . . 8.9 115.844 158.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.2 tp -136.76 -133.98 0.14 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.17 0.988 . . . . 13.33 109.975 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -105.32 -147.19 0.39 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.689 1.996 . . . . 16.11 110.769 -161.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 t -162.83 53.47 0.19 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.747 0.819 . . . . 17.58 109.32 164.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.5 t 90.5 143.38 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 104.378 -2.453 . . . . 21.06 104.378 -158.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.69 72.5 3.09 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.831 2.354 . . . . 21.97 110.637 -176.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.36 176.06 6.7 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 126.145 1.778 . . . . 25.14 108.154 167.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 125.175 1.39 . . . . 26.02 109.619 174.123 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 10.4 ptp . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 106.847 -1.538 . . . . 31.76 106.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -68.69 71.22 0.2 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.77 1.168 . . . . 30.06 108.111 164.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.8 m 53.88 -119.76 1.54 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 107.699 -1.223 . . . . 27.04 107.699 -159.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.44 64.57 1.63 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.157 1.383 . . . . 25.98 112.35 170.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -150.57 145.52 25.98 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 106.479 -1.675 . . . . 26.05 106.479 169.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.3 p -153.81 97.22 2.07 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.962 0.905 . . . . 17.2 108.748 -170.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.66 118.91 8.28 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 106.261 -1.755 . . . . 14.7 106.261 164.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -177.98 0.22 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.25 0.62 . . . . 10.56 110.61 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.1 -174.22 1.85 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.568 1.947 . . . . 5.07 111.385 175.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 72.44 140.84 0.06 Allowed 'General case' 0 C--O 1.237 0.412 0 C-N-CA 129.141 2.976 . . . . 3.12 113.462 175.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.55 157.23 37.11 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.655 -0.702 . . . . 1.59 110.205 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -54.12 -52.22 61.72 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.386 -0.968 . . . . 4.61 108.386 171.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -52.79 -45.94 67.41 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.494 0.496 . . . . 2.47 110.623 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -54.01 -57.83 9.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.173 0.511 . . . . 1.48 110.528 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.9 m -60.3 -46.49 89.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 119.207 -0.425 . . . . 0.63 111.252 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -47.84 80.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 118.881 0.764 . . . . 0.62 109.216 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -54.1 -53.28 55.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.638 1.175 . . . . 3.04 108.572 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -34.83 72.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.346 0.658 . . . . 1.27 112.636 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -69.13 -47.74 64.27 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 121.02 -1.05 . . . . 2.57 108.863 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -62.9 -35.66 80.79 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.999 -1.063 . . . . 3.06 111.863 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -54.08 -49.37 69.23 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.468 1.107 . . . . 3.73 108.783 171.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -63.69 -42.48 98.0 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.072 0.549 . . . . 1.61 110.912 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -62.82 -31.11 72.04 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.03 0.532 . . . . 3.3 110.808 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.86 -50.58 68.28 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.234 -1.025 . . . . 2.83 108.234 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -169.39 162.61 10.38 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.632 -1.247 . . . . 2.25 107.632 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -87.66 5.91 37.35 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 113.767 1.025 . . . . 5.87 113.767 -170.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 177.14 104.23 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 120.32 1.418 . . . . 2.96 107.841 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.3 173.85 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 2.79 109.884 -161.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -62.26 144.39 55.65 Favored 'General case' 0 C--N 1.343 0.306 0 CA-C-N 119.34 0.973 . . . . 1.74 108.877 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 ttm-85 -57.17 -44.73 83.8 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.073 0.852 . . . . 4.53 110.021 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' NH1' ' HB2' ' A' ' 33' ' ' ASP . 21.5 tpt85 -49.33 -51.72 32.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.025 0.375 . . . . 4.13 110.477 175.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -71.99 -35.73 69.56 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.508 0.505 . . . . 2.3 111.086 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -34.32 65.87 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 120.532 -1.355 . . . . 6.28 109.815 -177.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.8 mt -59.2 -53.24 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.121 0 N-CA-C 107.944 -1.132 . . . . 1.14 107.944 165.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.538 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 6.8 t70 -53.85 -62.99 1.29 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 105.625 -1.991 . . . . 2.51 105.625 -167.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.47 -60.52 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 126.528 1.931 . . . . 0.85 108.957 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.2 -43.91 52.79 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.894 0.77 . . . . 0.67 110.164 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -62.49 -36.39 82.35 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.057 -0.974 . . . . 2.55 110.407 -175.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.97 -34.38 26.45 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.667 0.787 . . . . 0.85 112.628 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -28.84 26.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.199 0.999 . . . . 0.89 108.616 -163.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t 79.55 41.12 0.08 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.629 1.571 . . . . 2.19 111.486 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.4 159.94 26.49 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 105.389 -2.078 . . . . 1.64 105.389 163.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.7 p -85.02 162.8 19.2 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 119.234 -0.987 . . . . 1.6 110.743 -170.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.23 -53.67 55.51 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.915 -0.772 . . . . 2.92 108.915 174.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -46.61 88.18 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 124.521 1.129 . . . . 6.04 108.977 -176.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.03 -44.55 88.76 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 118.862 -0.589 . . . . 3.25 110.899 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.8 mt -59.06 -49.62 82.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 119.313 0.96 . . . . 0.96 110.537 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -46.62 -56.09 6.63 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.007 -0.433 . . . . 3.63 110.459 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.34 -40.25 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.173 0.442 . . . . 2.02 111.738 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.2 t90 -58.69 -53.27 60.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.091 0.956 . . . . 0.58 108.784 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -58.37 -49.23 77.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.42 -0.355 . . . . 1.17 110.57 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 53.3 tt0 -55.73 -37.05 67.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.028 0.931 . . . . 4.23 110.778 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -69.61 -42.76 73.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.782 0.833 . . . . 2.62 109.984 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -53.21 50.38 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.864 0.866 . . . . 5.21 109.638 -178.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.411 ' CD ' ' HA ' ' A' ' 50' ' ' GLN . 7.1 ptm85 -71.75 2.78 4.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 115.385 1.624 . . . . 3.57 115.385 -166.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.0 ptm -141.79 31.41 1.63 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.645 0.657 . . . . 5.89 109.653 167.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -4.18 5.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 122.041 -0.412 . . . . 5.47 112.103 174.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 m 60.91 31.85 19.99 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.396 1.078 . . . . 8.13 111.04 166.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -146.69 -46.36 0.19 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 105.343 -2.095 . . . . 6.86 105.343 159.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -83.27 39.22 0.64 Allowed 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.494 -0.754 . . . . 7.87 110.736 174.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -161.42 -82.36 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.27 1.028 . . . . 10.24 109.994 -170.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.67 173.32 6.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 106.01 -1.848 . . . . 12.14 106.01 159.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.8 m -156.05 116.04 3.65 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 107.749 -1.204 . . . . 10.37 107.749 170.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.9 tp -100.62 3.21 42.39 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.576 0.75 . . . . 14.27 110.992 166.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 33.12 64.09 0.3 Allowed 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 129.946 3.298 . . . . 13.8 109.574 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -63.84 126.94 29.26 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.012 -1.449 . . . . 15.96 110.717 -158.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 t 67.36 68.32 0.55 Allowed Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 124.658 1.183 . . . . 18.81 110.495 -173.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -78.98 -170.37 0.99 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.939 2.426 . . . . 20.68 109.157 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -94.1 160.86 14.51 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 106.169 -1.789 . . . . 24.58 106.169 165.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 . . . . . 0 C--N 1.324 -0.505 0 C-N-CA 126.054 1.742 . . . . 29.19 110.35 -178.371 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 108.675 -0.861 . . . . 29.2 108.675 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -89.28 51.7 2.19 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.603 0.715 . . . . 22.63 110.437 -165.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.5 p -73.5 53.46 0.42 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.802 1.241 . . . . 20.84 110.851 175.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -139.38 71.62 1.38 Allowed 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 125.006 1.322 . . . . 21.51 107.5 -171.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 163.25 4.65 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.558 -0.746 . . . . 17.52 111.725 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.0 p 47.35 93.65 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 126.884 2.074 . . . . 11.13 112.561 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 -145.13 0.09 Allowed 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.391 -0.596 . . . . 12.17 109.391 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -79.95 164.31 23.6 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.566 -0.709 . . . . 7.65 112.117 -173.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 p -86.65 -174.5 5.01 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 126.955 2.102 . . . . 3.11 111.731 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -137.92 165.67 25.95 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.174 1.79 . . . . 2.79 110.072 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.45 163.75 31.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 127.745 2.418 . . . . 0.92 105.791 170.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -54.29 -51.34 64.91 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.271 -0.64 . . . . 4.68 109.271 175.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -50.27 -54.34 21.98 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.994 0.918 . . . . 1.64 110.172 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -56.66 15.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.503 0.321 . . . . 2.09 110.974 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.4 m -53.79 -41.94 67.79 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.538 -0.744 . . . . 0.72 111.106 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -50.11 74.93 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.516 1.053 . . . . 0.59 109.518 177.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -57.69 -45.16 86.04 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.235 0.47 . . . . 3.11 110.002 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.88 -42.0 99.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.076 0.95 . . . . 1.18 112.538 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.25 -54.12 47.49 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.1 -1.0 . . . . 3.72 109.904 170.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -56.12 -39.14 71.75 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 122.2 -0.313 . . . . 4.71 111.305 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.593 ' OE2' HD11 ' A' ' 26' ' ' ILE . 10.1 tt0 -53.95 -35.64 61.96 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 125.145 1.378 . . . . 4.19 111.077 176.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -63.68 -25.8 68.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 122.55 0.34 . . . . 1.12 110.688 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -84.17 -21.1 31.42 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.302 1.041 . . . . 3.19 111.22 171.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -63.85 -38.47 91.2 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.417 -0.957 . . . . 2.71 108.417 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.3 p30 173.7 174.55 0.15 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.964 2.506 . . . . 2.34 106.803 161.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -72.26 -14.46 61.78 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.277 0.843 . . . . 5.14 113.277 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -175.68 109.04 0.1 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 107.539 -1.282 . . . . 4.14 107.539 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.593 HD11 ' OE2' ' A' ' 19' ' ' GLU 0.271 0.0 OUTLIER -73.33 146.1 10.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 119.101 -1.039 . . . . 1.65 113.718 -168.388 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -56.36 143.87 32.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 112.867 -1.969 . . . . 1.59 109.289 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -61.34 -34.18 74.85 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.044 -0.662 . . . . 4.53 111.541 -169.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.97 -48.75 80.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.511 0.596 . . . . 4.99 109.808 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -36.38 74.8 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-O 122.773 1.273 . . . . 2.31 109.097 -174.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.528 ' HA ' HD12 ' A' ' 26' ' ' ILE . 11.2 ttm180 -72.2 -35.39 68.91 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.085 -0.961 . . . . 2.37 110.212 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.6 mt -63.07 -44.76 99.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.466 0.575 . . . . 1.27 109.851 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.43 -63.5 1.13 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 109.49 -0.559 . . . . 1.81 109.49 177.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 122.972 0.509 . . . . 0.82 110.548 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.58 -39.32 23.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.301 0.955 . . . . 0.55 110.447 175.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -65.72 -58.88 4.64 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.838 0.29 . . . . 1.13 110.333 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.01 47.01 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.754 0.787 . . . . 0.56 112.442 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.99 -19.82 65.44 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.961 2.104 . . . . 0.81 108.326 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m 74.4 39.43 0.47 Allowed 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 127.128 2.171 . . . . 2.38 110.843 171.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 40' ' ' LEU . 7.1 tp -120.28 -160.93 0.85 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.317 1.847 . . . . 1.48 109.3 -176.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.06 138.48 49.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.701 1.137 . . . . 1.16 112.075 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -49.55 -45.92 48.17 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.681 1.992 . . . . 3.11 112.31 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -56.07 -50.48 70.88 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.439 1.495 . . . . 5.74 110.528 170.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.401 HE21 ' C ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -58.86 -43.24 90.79 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.104 0.562 . . . . 3.86 109.505 -177.185 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.56 -48.63 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 109.706 -0.479 . . . . 0.94 109.706 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -48.0 -53.11 17.26 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.254 0.479 . . . . 3.39 110.442 175.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.36 -56.81 11.5 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 CA-C-O 118.755 -0.64 . . . . 1.73 109.588 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -52.2 -46.48 65.63 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 118.294 0.497 . . . . 0.68 110.194 -170.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -62.8 -47.53 83.03 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.529 0.332 . . . . 1.25 111.542 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -56.08 -45.63 79.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.26 0.552 . . . . 3.79 110.6 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -60.7 3.44 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.394 1.878 . . . . 3.07 109.497 174.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -49.49 -41.91 41.99 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.361 1.464 . . . . 4.1 111.072 -174.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -33.66 -45.74 0.18 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.8 1.24 . . . . 3.69 114.346 170.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.4 ttp -163.55 94.37 0.78 Allowed 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.837 -1.172 . . . . 5.41 107.837 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.17 -106.88 0.28 Allowed 'General case' 0 C--O 1.223 -0.292 0 CA-C-O 117.974 -1.012 . . . . 8.47 112.047 170.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.0 p -103.42 17.17 24.68 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 120.814 1.643 . . . . 7.11 113.1 -163.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -118.86 -51.4 2.36 Favored 'General case' 0 N--CA 1.434 -1.254 0 C-N-CA 127.35 2.26 . . . . 8.58 106.047 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.82 50.42 1.53 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 108.552 -0.907 . . . . 10.15 108.552 169.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.06 -71.82 0.33 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.788 2.035 . . . . 10.35 106.076 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 60' ' ' ARG 0.527 8.0 mmp_? 5.3 60.37 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 118.234 2.679 . . . . 12.09 118.234 -158.578 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.9 t -105.6 -177.17 3.29 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 106.775 -1.565 . . . . 14.02 106.775 158.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.26 30.45 0.24 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.017 1.327 . . . . 19.18 109.409 -176.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -82.59 52.64 2.13 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.885 1.674 . . . . 21.37 109.705 -175.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -63.87 101.91 0.42 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.399 0.679 . . . . 24.45 109.644 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.262 21.3 t -157.57 -71.84 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 113.612 0.967 . . . . 27.98 113.612 -168.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.85 -165.49 0.26 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 124.034 3.156 . . . . 27.86 110.76 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -69.34 -25.69 64.32 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.466 -0.771 . . . . 31.69 112.401 171.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.1 m80 . . . . . 0 N--CA 1.446 -0.639 0 C-N-CA 128.875 2.87 . . . . 29.39 111.735 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 107.258 -1.386 . . . . 20.21 107.258 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -74.16 69.96 1.56 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.483 -0.932 . . . . 16.97 108.483 173.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.1 m 41.26 -126.63 0.53 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.073 1.349 . . . . 18.02 108.933 -164.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.1 25.43 11.14 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 109.865 -0.42 . . . . 17.26 109.865 158.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.7 tpp85 -67.52 -45.91 74.38 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.454 -1.313 . . . . 19.65 107.454 164.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 p 44.65 93.21 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.69 1.996 . . . . 11.21 112.039 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -110.94 65.46 0.62 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.761 1.224 . . . . 14.98 109.753 -159.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.49 -176.24 4.34 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 123.97 0.908 . . . . 6.16 109.024 167.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 p 65.03 174.69 0.21 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 126.492 1.917 . . . . 2.93 113.6 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -151.62 148.9 28.53 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.392 1.877 . . . . 2.28 106.458 -172.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.77 162.82 27.85 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.888 0.375 . . . . 1.02 110.051 158.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -55.88 -44.38 78.11 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.622 -0.51 . . . . 5.29 109.622 171.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -60.71 -52.02 66.89 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.616 0.573 . . . . 1.94 110.234 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.463 ' HG2' HD22 ' A' ' 38' ' ' LEU . 15.7 mt-30 -54.3 -46.43 72.78 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.746 -0.464 . . . . 2.12 109.746 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 m -57.46 -53.2 60.86 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-O 118.369 -0.824 . . . . 0.55 110.952 174.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.5 -48.69 68.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.813 1.188 . . . . 0.6 110.528 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.595 ' CG ' HD11 ' A' ' 38' ' ' LEU . 11.4 tp10 -58.09 -50.25 74.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 123.391 0.676 . . . . 2.6 109.75 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.36 -37.95 76.25 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.689 0.796 . . . . 1.2 112.35 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -56.8 12.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.021 -1.844 . . . . 2.87 106.021 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -32.16 73.36 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 119.868 -0.733 . . . . 4.01 111.961 173.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -54.75 -34.08 62.07 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 121.067 -1.021 . . . . 3.46 111.538 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -62.83 -39.23 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.898 -1.047 . . . . 1.25 108.931 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -81.68 -20.43 39.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.898 0.479 . . . . 6.16 111.275 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -51.26 64.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.695 -1.224 . . . . 2.66 107.695 168.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -147.71 119.35 8.01 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.848 0.859 . . . . 2.6 109.007 -173.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -53.94 -34.5 59.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 122.446 0.298 . . . . 5.58 111.064 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -141.25 129.62 22.42 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 105.696 -1.964 . . . . 2.74 105.696 158.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -90.18 138.05 20.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 C-N-CA 124.336 1.054 . . . . 2.24 109.032 -165.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -54.09 144.56 19.19 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.015 -0.735 . . . . 0.87 109.015 -172.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -56.38 -35.85 68.2 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.369 0.986 . . . . 4.03 111.329 -177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -58.26 -54.45 46.8 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.934 0.788 . . . . 6.63 110.203 173.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HG3' HD12 ' A' ' 26' ' ' ILE . 31.2 tpt180 -58.26 -39.72 79.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.991 0.424 . . . . 1.84 110.255 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.496 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.7 ttp85 -74.14 -36.6 64.17 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 120.975 -1.078 . . . . 2.67 111.961 -175.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.1 mt -57.8 -52.12 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.416 -0.587 . . . . 1.1 109.416 165.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -63.23 1.21 Allowed 'General case' 0 N--CA 1.46 0.056 0 N-CA-C 107.959 -1.126 . . . . 1.93 107.959 -176.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.765 HG12 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -56.75 -52.03 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.195 0 C-N-CA 124.242 1.017 . . . . 0.8 110.263 -178.224 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -45.59 39.04 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 119.357 0.981 . . . . 0.49 109.988 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -67.4 -60.14 2.82 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 123.88 0.738 . . . . 1.39 110.698 -174.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.86 -40.32 79.41 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.25 0.548 . . . . 0.72 111.896 -173.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.765 HD12 HG12 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -83.29 -24.17 32.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.169 1.788 . . . . 1.22 109.582 -170.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.2 t 84.67 56.13 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.663 1.585 . . . . 1.82 111.436 170.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.89 -164.79 1.63 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 107.416 -1.327 . . . . 1.47 107.416 165.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -126.92 149.0 50.02 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.849 1.659 . . . . 0.89 110.424 172.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -25.97 67.34 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.275 0.472 . . . . 3.28 112.275 -169.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -70.16 -50.52 39.51 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 125.981 1.712 . . . . 4.88 110.437 172.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -62.44 -40.05 95.31 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.751 -0.833 . . . . 2.92 108.751 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 mt -56.66 -54.17 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.461 1.904 . . . . 0.75 110.654 168.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -53.94 -47.84 70.85 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.22 -0.925 . . . . 4.42 110.557 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mt -54.52 -57.04 7.33 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.3 0 N-CA-C 109.041 -0.726 . . . . 1.77 109.041 170.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -48.15 -46.89 34.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.42 0.554 . . . . 0.6 110.427 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.33 -48.67 78.79 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.439 1.496 . . . . 1.25 112.217 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -53.81 -51.54 63.17 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.592 1.157 . . . . 4.28 109.513 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -61.66 2.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.338 1.855 . . . . 3.26 109.496 176.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -43.81 -54.14 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.896 1.679 . . . . 4.84 111.71 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -63.56 -5.93 4.54 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 115.044 1.498 . . . . 3.87 115.044 -176.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -125.7 4.4 7.47 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.344 0.975 . . . . 7.28 112.576 169.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -82.7 -66.17 0.92 Allowed 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.194 0.907 . . . . 5.56 110.667 -165.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 60' ' ' ARG . 0.5 OUTLIER -83.44 42.04 0.81 Allowed 'General case' 0 C--O 1.206 -1.22 0 N-CA-C 107.654 -1.239 . . . . 7.4 107.654 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.334 5.2 mtmp? 44.11 12.33 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.405 0 N-CA-C 115.397 1.629 . . . . 7.71 115.397 -159.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.59 41.75 17.94 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.227 -1.027 . . . . 7.66 108.227 -162.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -175.01 -67.14 0.01 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.459 0.704 . . . . 8.95 110.576 -159.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' SER . 67.9 ttt180 -70.88 74.66 0.62 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.754 0.788 . . . . 12.7 109.66 173.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.6 m -80.3 58.81 3.2 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.095 1.758 . . . . 12.99 109.908 -170.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 tp -78.25 3.2 16.0 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.275 0.843 . . . . 15.91 113.275 -168.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -103.94 13.39 32.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.877 1.271 . . . . 19.91 110.765 168.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 t 49.74 -149.42 0.24 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.518 -0.739 . . . . 19.49 109.955 -172.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -145.53 102.03 4.31 Favored Pre-proline 0 N--CA 1.453 -0.302 0 N-CA-C 106.32 -1.733 . . . . 23.28 106.32 159.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.48 71.55 4.57 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.588 2.192 . . . . 26.24 108.05 177.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -109.52 51.44 0.75 Allowed 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 126.156 1.782 . . . . 27.76 108.673 -165.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 . . . . . 0 N--CA 1.447 -0.592 0 C-N-CA 128.417 2.687 . . . . 30.66 105.513 -166.326 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 122.53 1.157 . . . . 19.77 108.403 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.78 58.48 3.83 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.917 2.487 . . . . 17.71 110.105 -158.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.0 p -102.31 129.44 48.74 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.993 2.117 . . . . 15.04 107.646 -169.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -69.54 -47.89 62.21 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 122.052 -0.405 . . . . 17.86 109.934 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -121.49 164.2 17.56 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.736 1.614 . . . . 20.72 108.184 176.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.7 p 56.44 93.95 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.623 1.969 . . . . 11.67 111.416 174.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.59 -43.24 10.32 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 123.92 0.888 . . . . 13.24 111.947 -161.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -102.29 156.03 17.84 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.701 -1.592 . . . . 6.95 106.701 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -78.7 152.36 31.64 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.098 0.959 . . . . 2.73 108.428 172.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.29 134.03 55.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.694 -1.595 . . . . 2.05 106.694 167.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.22 166.83 21.03 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 110.242 -0.281 . . . . 1.02 110.242 162.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.407 HH11 ' C ' ' A' ' 68' ' ' HIS . 23.3 ttt85 -64.26 -45.26 88.91 Favored 'General case' 0 C--O 1.219 -0.506 0 C-N-CA 119.017 -1.073 . . . . 5.13 109.804 171.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -55.04 6.63 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.61 1.096 . . . . 2.46 110.077 173.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' NE2' HD13 ' A' ' 40' ' ' LEU . 3.8 mt-30 -54.34 -57.08 12.61 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.611 -0.514 . . . . 1.47 109.611 179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 m -53.72 -39.41 65.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.534 0.734 . . . . 0.81 111.473 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -49.12 71.89 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.097 -1.446 . . . . 0.84 107.097 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.76 -50.48 70.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.693 -0.484 . . . . 2.69 109.693 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.97 -39.05 71.21 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.955 0.902 . . . . 1.79 112.434 174.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -52.96 60.42 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.933 1.293 . . . . 2.59 109.435 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -61.5 -32.75 72.78 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.343 -0.848 . . . . 3.12 111.281 173.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -37.47 83.1 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.778 -1.201 . . . . 3.24 110.3 172.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CE1' ' HB3' ' A' ' 24' ' ' ARG . 15.5 t80 -63.71 -15.04 57.45 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.816 -1.177 . . . . 1.14 112.028 173.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -94.8 -17.38 22.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.05 1.34 . . . . 2.81 111.174 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -46.22 74.13 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.3 -1.741 . . . . 2.3 106.3 172.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.473 ' OD1' HG22 ' A' ' 26' ' ' ILE . 12.7 p30 -173.56 -176.37 1.27 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.768 2.027 . . . . 3.16 106.298 -172.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.416 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 5.6 ptp180 -139.55 34.06 2.04 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 123.785 0.834 . . . . 7.92 110.424 167.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -175.79 88.47 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 129.737 3.215 . . . . 4.17 105.611 -174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -105.56 150.12 8.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 124.039 0.936 . . . . 2.42 110.804 -170.019 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -64.33 147.46 52.48 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.556 -0.535 . . . . 1.31 109.556 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -61.93 -37.54 85.06 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 119.609 -0.836 . . . . 4.26 110.503 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.79 -48.98 66.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.041 0.536 . . . . 4.68 109.631 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.66 -37.34 70.8 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 122.163 -0.335 . . . . 1.93 111.146 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -71.6 -40.16 70.02 Favored 'General case' 0 C--O 1.219 -0.532 0 O-C-N 121.176 -0.952 . . . . 2.75 111.547 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.61 -47.3 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 118.807 0.73 . . . . 1.18 109.666 173.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.57 -63.43 1.15 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.602 1.561 . . . . 2.11 109.088 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -46.83 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 116.034 -0.53 . . . . 1.21 110.148 -178.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.79 38.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.574 0.75 . . . . 0.69 109.558 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -67.09 -58.64 4.51 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 124.171 0.919 . . . . 1.23 110.011 -176.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.94 84.13 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.427 0.632 . . . . 0.68 112.253 -175.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.49 -40.33 80.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 126.808 2.043 . . . . 1.05 109.002 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 t 92.85 42.99 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.074 2.55 . . . . 1.53 111.04 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.44 HD13 ' NE2' ' A' ' 12' ' ' GLN . 6.8 tp -136.1 144.69 45.26 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 121.214 -0.928 . . . . 1.9 108.573 174.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.42 144.51 35.8 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.709 0.803 . . . . 1.51 111.589 -168.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -48.55 -49.05 38.04 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 118.68 0.673 . . . . 3.07 111.807 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -43.0 68.48 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.208 0.603 . . . . 5.71 109.777 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.97 -54.03 40.91 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.845 0.858 . . . . 3.86 108.696 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -54.27 -43.95 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.393 1.077 . . . . 0.95 109.573 -178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -57.88 -53.94 52.52 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.719 -0.613 . . . . 3.3 110.469 178.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.43 -43.99 95.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 117.829 0.286 . . . . 1.96 110.637 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -57.04 -48.29 78.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.55 1.14 . . . . 0.65 109.031 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -64.01 -49.47 72.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 122.096 -0.378 . . . . 1.42 110.609 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.22 -43.44 52.78 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.758 -0.46 . . . . 3.89 109.758 178.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.45 -59.62 3.81 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.552 -1.277 . . . . 2.25 107.552 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.5 tpt85 -50.64 -37.52 41.06 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 127.182 2.193 . . . . 4.17 112.909 -175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -51.93 -31.27 28.03 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.926 0.891 . . . . 4.36 111.014 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -155.34 57.19 0.64 Allowed 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 122.757 0.423 . . . . 5.12 110.666 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -70.07 -9.19 54.59 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.501 0.926 . . . . 5.95 113.501 -172.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m 52.85 49.07 21.06 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.656 -0.868 . . . . 5.55 108.656 -162.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 tppm? -163.35 -45.54 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 125.039 1.336 . . . . 7.99 110.724 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -105.58 33.55 3.68 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 127.49 2.316 . . . . 10.21 115.077 -177.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -165.79 -51.68 0.03 OUTLIER 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.412 1.885 . . . . 6.74 108.67 -163.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.2 mtm-85 -132.08 150.35 52.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.401 1.88 . . . . 9.34 107.712 173.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.265 13.7 t 51.09 -167.53 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.504 1.921 . . . . 10.52 113.032 -177.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.3 27.43 0.06 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.157 0.983 . . . . 15.41 110.982 -168.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -76.65 53.2 0.87 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.495 1.918 . . . . 16.9 110.168 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.9 m -79.47 56.61 2.2 Favored 'General case' 0 C--N 1.334 -0.079 0 N-CA-C 115.309 1.596 . . . . 19.57 115.309 -162.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . 0.254 19.5 m -77.09 -54.29 1.57 Allowed Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 111.993 0.368 . . . . 22.93 111.993 158.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -83.18 54.37 4.69 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.976 3.118 . . . . 22.1 109.694 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -176.12 5.85 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.848 -1.908 . . . . 25.14 105.848 161.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.407 ' C ' HH11 ' A' ' 10' ' ' ARG . 5.1 m-70 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 107.593 -1.262 . . . . 27.16 107.593 174.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 107.189 -1.411 . . . . 26.68 107.189 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.5 52.97 1.8 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 113.358 0.873 . . . . 22.48 113.358 -158.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -16.65 60.92 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.865 1.666 . . . . 19.39 112.127 168.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -29.62 59.24 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.351 0.871 . . . . 24.43 113.351 -174.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -73.96 47.17 0.26 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.575 0.75 . . . . 19.87 111.519 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.7 p 43.88 93.51 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.159 2.184 . . . . 13.29 112.527 -172.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 82.8 0.99 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.338 -0.616 . . . . 12.39 109.338 175.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -66.66 169.31 7.98 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 109.353 -0.61 . . . . 6.2 109.353 161.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.6 p 59.52 124.34 0.01 OUTLIER 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 128.541 2.737 . . . . 2.93 112.912 -169.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.12 141.02 45.18 Favored 'General case' 0 CA--C 1.52 -0.203 0 O-C-N 121.404 -0.81 . . . . 2.25 109.512 -165.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.1 158.87 33.47 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.348 0.594 . . . . 1.37 110.847 167.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -56.36 -49.23 75.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.814 -0.809 . . . . 4.31 108.814 171.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -52.62 -49.86 64.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.92 0.488 . . . . 1.97 110.666 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' HG2' ' CD2' ' A' ' 38' ' ' LEU . 2.9 mt-30 -53.83 -56.08 20.85 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 108.748 -0.834 . . . . 1.39 108.748 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 m -55.63 -46.63 77.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.35 -0.841 . . . . 0.87 110.692 -178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -50.78 72.71 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.19 0.905 . . . . 0.68 109.772 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.54 -44.55 72.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.401 -0.592 . . . . 2.88 109.401 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.37 -45.67 83.17 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.574 1.15 . . . . 1.18 112.854 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.0 -50.28 36.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.603 1.561 . . . . 2.93 109.082 172.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -62.06 -49.24 76.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.647 1.579 . . . . 3.04 112.032 174.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.78 -33.58 56.35 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.835 1.654 . . . . 3.13 109.596 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.48 -27.68 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.621 -1.299 . . . . 1.07 111.348 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -70.3 -25.4 63.3 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.652 -0.655 . . . . 3.0 110.896 171.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -47.31 80.55 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 108.513 -0.921 . . . . 1.99 108.513 173.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.19 146.2 3.53 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.917 0.487 . . . . 3.24 111.35 -170.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ttp-105 -76.52 -21.4 55.79 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.545 0.738 . . . . 4.7 112.318 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -145.49 142.49 29.28 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 105.505 -2.035 . . . . 2.8 105.505 164.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.443 HG22 ' HB3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -85.04 147.52 5.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 113.526 0.936 . . . . 1.87 113.526 -175.215 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 p -70.22 148.78 48.2 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 125.344 1.457 . . . . 1.18 109.14 173.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -53.12 -46.5 68.79 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 120.923 1.692 . . . . 3.63 111.365 178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -55.94 -46.64 78.45 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.692 0.397 . . . . 4.5 110.89 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HB3' HG22 ' A' ' 26' ' ' ILE . 26.4 tpt180 -74.06 -33.91 63.85 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.92 0.39 . . . . 2.18 110.506 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 ttp-105 -68.54 -44.64 74.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 121.549 -0.72 . . . . 3.75 109.824 -172.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.7 -49.84 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.669 -0.493 . . . . 1.99 109.669 173.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -53.24 -62.93 1.34 Allowed 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 125.158 1.383 . . . . 2.21 107.804 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.5 mm -50.41 -62.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 124.526 1.13 . . . . 1.4 111.301 175.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.97 -37.39 14.45 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.44 0.696 . . . . 0.54 110.836 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -73.33 -65.77 0.77 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.689 0.618 . . . . 1.97 110.598 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.48 84.76 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.994 0.902 . . . . 0.8 110.659 -167.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' CD2' ' HG2' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -86.25 -4.35 59.15 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.406 2.282 . . . . 1.15 109.511 179.625 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.0 m 44.44 62.15 2.13 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 126.363 1.865 . . . . 2.0 112.786 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 tp -124.63 -152.47 0.52 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 106.027 -1.842 . . . . 1.49 106.027 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 p -152.38 152.99 32.72 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 121.343 1.883 . . . . 0.93 112.032 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -49.85 -49.83 47.72 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 2.92 113.412 -170.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -56.14 -50.0 72.33 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.421 -0.585 . . . . 6.07 109.421 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -51.34 68.0 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.526 -0.916 . . . . 3.67 108.526 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.6 mt -53.77 -56.74 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 C-N-CA 123.593 0.757 . . . . 1.55 109.429 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -47.28 -53.72 12.76 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.605 0.639 . . . . 3.5 110.022 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.67 -38.39 82.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 119.1 -0.476 . . . . 2.23 111.522 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -61.49 -53.12 60.64 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.896 0.771 . . . . 0.61 109.87 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CE1' HD11 ' A' ' 26' ' ' ILE . 17.5 m-85 -59.77 -45.31 92.67 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 108.621 -0.881 . . . . 1.12 108.621 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.62 51.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.338 -0.245 . . . . 4.03 110.338 174.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -58.24 -46.25 86.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.561 1.144 . . . . 2.33 108.658 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -50.67 59.35 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.957 1.303 . . . . 4.05 110.772 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.56 1.19 20.3 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.362 0.875 . . . . 5.05 113.362 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.0 ttt -131.7 39.14 3.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.192 0.997 . . . . 5.93 109.441 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -92.46 18.99 7.68 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 122.012 -0.43 . . . . 5.13 111.387 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . 0.254 22.5 m 41.43 39.78 1.12 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 127.064 2.145 . . . . 6.22 113.297 -178.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -150.04 -57.21 0.18 Allowed 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 127.753 2.421 . . . . 5.7 106.504 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -100.17 55.2 0.91 Allowed 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 107.035 -1.468 . . . . 7.57 107.035 173.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -163.72 -79.32 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.722 -0.844 . . . . 8.49 108.722 -158.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.8 ptt85 -73.31 154.66 40.04 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.916 -0.401 . . . . 9.66 109.916 -173.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 m 50.75 95.48 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 126.87 2.068 . . . . 11.34 112.169 175.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.12 164.54 0.85 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 114.056 1.132 . . . . 17.5 114.056 -166.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t0 52.58 37.81 24.19 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.904 2.082 . . . . 17.54 109.608 -162.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.4 t 50.29 37.76 15.94 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.349 1.46 . . . . 15.19 111.813 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -75.35 140.92 72.96 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 118.282 0.492 . . . . 17.55 110.444 -164.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.69 63.28 8.52 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.302 2.668 . . . . 17.86 111.876 -168.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -76.27 71.23 2.96 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.384 -0.599 . . . . 20.49 109.384 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 116.757 -1.592 . . . . 20.76 107.502 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 110.152 -0.314 . . . . 23.69 110.152 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.74 154.68 41.65 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.938 -0.393 . . . . 21.95 109.938 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.8 m -82.13 -150.33 0.09 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.32 2.248 . . . . 18.53 108.417 177.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 60.8 -64.33 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.642 1.977 . . . . 22.61 114.327 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.02 -1.54 36.75 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.26 1.824 . . . . 23.24 110.782 168.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p 44.64 93.17 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 127.377 2.271 . . . . 14.36 112.379 165.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -118.96 160.65 21.58 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.663 0.785 . . . . 15.67 109.547 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.0 161.86 1.12 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.646 1.978 . . . . 7.76 114.385 -170.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.4 p -73.5 -173.81 1.52 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.364 1.865 . . . . 3.29 109.327 159.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 77.0 162.09 0.23 Allowed 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 129.84 3.256 . . . . 2.35 108.274 -161.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.42 162.69 35.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.111 -2.181 . . . . 1.67 105.111 -172.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -58.42 -39.31 79.42 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 120.44 1.473 . . . . 5.73 109.926 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -53.77 -61.63 2.18 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.364 0.666 . . . . 1.95 109.744 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -48.82 70.2 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.843 0.83 . . . . 1.73 110.385 -173.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.5 m -65.41 -29.33 70.01 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 117.631 -1.176 . . . . 0.86 111.365 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -43.84 87.72 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 121.607 2.003 . . . . 0.71 108.24 172.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -52.23 61.15 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 106.535 -1.654 . . . . 2.51 106.535 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.637 HD12 ' CE3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER -61.72 -44.8 96.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.728 1.211 . . . . 2.59 112.098 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' A' ' 52' ' ' ARG . 0.6 OUTLIER -52.4 -51.36 59.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.563 -1.336 . . . . 4.32 111.036 171.581 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -65.42 -34.13 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.134 -0.979 . . . . 3.84 111.478 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -53.78 -41.81 67.62 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.19 0.996 . . . . 4.57 110.312 169.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -63.74 -47.15 82.21 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.562 -0.711 . . . . 1.21 110.161 175.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -60.61 -27.84 68.06 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.523 -0.308 . . . . 2.72 111.437 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.96 -66.26 0.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.956 1.302 . . . . 2.77 108.908 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -157.64 131.23 7.89 Favored 'General case' 0 C--O 1.226 -0.147 0 N-CA-C 108.864 -0.791 . . . . 3.22 108.864 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -57.73 -29.61 64.89 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.489 0.716 . . . . 4.77 111.981 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -130.74 120.52 23.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.222 -1.399 . . . . 2.69 107.222 170.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.433 HD12 ' HG3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -93.15 151.18 3.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 N-CA-C 108.552 -0.907 . . . . 1.52 108.552 174.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -65.12 149.64 49.54 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.007 -1.108 . . . . 1.27 108.007 173.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -61.17 -38.89 88.1 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-N 120.661 1.573 . . . . 4.38 110.967 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -54.57 -53.24 57.16 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.606 0.639 . . . . 4.93 109.938 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -67.18 -40.5 86.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.893 0.378 . . . . 2.16 110.549 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' HG3' HD12 ' A' ' 26' ' ' ILE . 3.2 ttm105 -65.25 -43.4 91.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 108.832 -0.803 . . . . 2.66 108.832 -177.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.1 -47.97 89.85 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 118.7 0.682 . . . . 1.2 109.934 172.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.04 -63.66 1.07 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 108.35 -0.982 . . . . 1.96 108.35 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -57.25 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.49 -0.777 . . . . 1.14 110.056 178.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.97 -39.32 59.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.575 0.75 . . . . 0.68 110.935 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -68.04 -48.18 66.35 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.504 -0.554 . . . . 1.62 109.504 -177.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.99 93.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.036 0.384 . . . . 0.63 112.036 176.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.67 -30.79 32.54 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.758 1.223 . . . . 0.94 109.571 -170.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.2 t 84.99 54.25 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 128.092 2.557 . . . . 2.12 110.231 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -160.38 1.07 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.368 1.867 . . . . 2.05 109.275 -174.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.6 p -146.52 164.52 32.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.511 1.505 . . . . 1.5 112.332 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.92 -36.82 77.83 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 122.612 0.365 . . . . 3.72 110.463 169.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.89 -54.74 43.71 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.282 -0.636 . . . . 5.83 109.282 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -54.65 -57.74 10.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.263 -0.575 . . . . 4.01 110.319 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.402 HG23 ' CE1' ' A' ' 49' ' ' PHE . 67.7 mt -54.61 -45.49 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 110.053 -0.351 . . . . 1.26 110.053 -172.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -48.4 -58.5 4.53 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.172 -0.677 . . . . 3.28 109.172 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.23 -44.64 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 122.961 0.504 . . . . 2.01 111.512 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.637 ' CE3' HD12 ' A' ' 16' ' ' LEU . 33.7 t90 -57.9 -48.68 79.17 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 108.862 -0.792 . . . . 0.58 108.862 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.402 ' CE1' HG23 ' A' ' 45' ' ' ILE . 7.1 m-85 -67.18 -36.26 81.41 Favored 'General case' 0 C--O 1.232 0.134 0 O-C-N 121.637 -0.665 . . . . 1.44 110.71 -178.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.57 -54.92 30.53 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 108.584 -0.895 . . . . 4.11 108.584 171.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -59.6 -43.57 93.69 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.934 1.294 . . . . 2.49 109.128 -175.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -77.52 -35.95 52.92 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.152 -0.927 . . . . 6.12 110.768 -170.392 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -70.6 -53.22 16.8 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 119.207 -0.997 . . . . 3.58 108.586 174.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 43.6 mtt -87.82 58.62 4.95 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.572 0.701 . . . . 5.8 109.111 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -2.42 23.2 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.336 -0.847 . . . . 7.19 112.777 -177.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.8 p 48.85 44.5 22.06 Favored 'General case' 0 CA--C 1.529 0.161 0 O-C-N 121.156 -0.965 . . . . 5.92 111.47 -172.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -155.42 -55.95 0.09 Allowed 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.298 -1.741 . . . . 5.78 106.298 173.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.32 44.56 1.21 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.216 -1.401 . . . . 7.28 107.216 174.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -168.09 -84.99 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.019 0.377 . . . . 8.38 112.019 -158.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -79.49 105.99 11.2 Favored 'General case' 0 CA--C 1.527 0.081 0 N-CA-C 108.933 -0.766 . . . . 13.82 108.933 -178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.263 12.6 t 52.59 -164.1 0.08 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.837 1.655 . . . . 10.56 111.795 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.6 tp -129.24 104.43 7.52 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.075 1.35 . . . . 12.81 108.734 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -89.98 18.37 5.85 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 126.526 1.93 . . . . 13.12 111.193 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 m 49.72 -134.09 1.49 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.062 0.945 . . . . 14.91 110.183 -172.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 m -149.76 151.07 32.0 Favored Pre-proline 0 N--CA 1.456 -0.125 0 N-CA-C 106.752 -1.573 . . . . 17.65 106.752 168.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.78 163.98 37.15 Favored 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 122.154 1.903 . . . . 19.61 109.032 169.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -148.94 -133.76 0.06 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.393 1.477 . . . . 24.66 107.101 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 126.018 1.727 . . . . 27.23 106.83 176.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 107.658 -1.238 . . . . 24.99 107.658 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.34 76.96 0.38 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.921 0.888 . . . . 19.43 110.963 -175.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.3 t -48.25 143.92 4.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.89 1.276 . . . . 16.75 112.374 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -64.42 -25.0 67.82 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 118.752 -0.642 . . . . 17.98 111.218 171.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -130.18 169.02 15.91 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.324 1.05 . . . . 17.58 111.248 -172.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.9 p 44.5 93.48 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 127.483 2.313 . . . . 10.32 113.609 169.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -116.85 61.94 0.73 Allowed 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 125.502 1.521 . . . . 14.85 109.009 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 55.81 172.58 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 127.769 2.428 . . . . 6.71 112.895 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 p -142.46 132.21 24.1 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.226 2.21 . . . . 2.76 106.969 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -79.06 178.01 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.352 1.061 . . . . 1.94 110.37 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.33 170.25 12.69 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 125.465 1.506 . . . . 1.03 109.765 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -57.81 -49.81 75.39 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 4.3 109.908 172.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.13 -53.68 54.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.95 -0.759 . . . . 1.46 108.95 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' NE2' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -53.95 -48.45 70.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.8 0.333 . . . . 1.69 110.33 -177.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.1 m -60.29 -42.07 94.73 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 118.747 -0.644 . . . . 0.71 110.64 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -53.19 59.63 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 119.182 0.901 . . . . 0.62 109.307 173.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -55.63 -40.74 72.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.041 0.448 . . . . 2.5 110.384 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -72.66 -40.98 65.92 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.871 0.868 . . . . 1.25 113.286 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -51.6 58.72 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.522 -1.361 . . . . 3.53 109.509 165.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -56.06 -35.51 67.01 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.56 1.144 . . . . 3.4 111.312 174.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.614 ' OE2' HD11 ' A' ' 26' ' ' ILE . 9.3 tt0 -63.17 -41.23 99.2 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 124.435 1.094 . . . . 4.38 111.039 173.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -63.56 -40.33 96.7 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.138 -0.69 . . . . 1.14 109.138 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -37.12 79.19 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 122.737 0.415 . . . . 5.54 111.392 168.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -63.47 -39.08 93.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.998 0.919 . . . . 2.45 109.023 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 p30 173.04 166.85 0.13 Allowed 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 127.166 2.186 . . . . 2.4 109.108 159.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -68.59 -15.97 63.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.759 1.022 . . . . 4.2 113.759 -170.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.73 104.5 0.25 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.036 0.935 . . . . 4.16 108.49 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.614 HD11 ' OE2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -64.47 168.33 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 113.964 1.098 . . . . 1.58 113.964 -171.615 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 p -72.71 148.19 44.92 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.265 1.026 . . . . 1.33 108.535 164.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -59.94 -36.4 76.97 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 119.071 -1.052 . . . . 4.54 111.131 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -50.7 68.45 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 119.773 1.169 . . . . 3.81 110.302 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.48 69.47 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.857 0.837 . . . . 2.11 110.673 -176.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.558 ' HA ' HD12 ' A' ' 26' ' ' ILE . 3.5 ttm-85 -81.83 -34.39 30.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.817 -0.552 . . . . 3.05 110.685 -173.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.64 -49.99 80.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.874 0.869 . . . . 1.03 108.753 163.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.38 -63.1 1.26 Allowed 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.701 1.2 . . . . 1.97 109.058 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -53.87 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-O 118.21 -0.9 . . . . 0.81 110.715 175.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.11 -35.83 12.14 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 120.114 1.325 . . . . 0.59 111.228 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -68.2 -64.98 0.75 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.144 -0.687 . . . . 1.34 109.144 177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -32.1 67.3 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.52 0.933 . . . . 0.9 113.52 -175.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.6 -5.09 52.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.095 2.158 . . . . 0.83 110.058 -175.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.1 p 51.86 53.85 11.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.362 1.465 . . . . 1.97 112.892 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD13 ' NE2' ' A' ' 12' ' ' GLN . 7.7 tp -132.02 -152.68 0.51 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.804 1.242 . . . . 1.29 109.512 173.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.7 p -150.77 161.45 42.61 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 120.197 1.362 . . . . 1.17 110.972 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -64.37 -33.55 76.1 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 119.472 -0.299 . . . . 4.15 111.523 -177.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.4 tpp85 -56.29 -54.66 42.76 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.43 -0.952 . . . . 5.32 108.43 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -57.93 -53.88 53.19 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 123.727 0.811 . . . . 3.1 110.265 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.1 mt -59.65 -40.61 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.014 0.526 . . . . 0.78 110.011 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -51.79 66.48 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 109.373 -0.602 . . . . 3.8 109.373 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.18 -48.51 88.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 124.142 0.977 . . . . 1.76 110.045 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -55.42 -43.82 75.68 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 121.694 0.759 . . . . 0.61 110.069 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.45 -40.56 91.61 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 120.789 -1.194 . . . . 1.67 111.0 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.01 -45.74 90.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 O-C-N 124.078 0.861 . . . . 3.54 110.27 176.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -42.42 -47.95 5.08 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.587 1.555 . . . . 2.7 111.818 170.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -58.82 2.49 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.881 -1.054 . . . . 5.81 111.398 -164.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 24.59 42.14 0.0 OUTLIER 'General case' 0 C--N 1.341 0.233 0 C-N-CA 128.901 2.88 . . . . 3.6 117.401 175.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 37.0 mtm 44.96 68.62 0.53 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.986 0.914 . . . . 10.9 110.172 -170.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -54.95 11.54 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 129.726 3.21 . . . . 6.02 117.293 -168.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.2 p 54.2 13.63 0.63 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 127.768 2.427 . . . . 7.54 113.209 -167.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -163.37 39.48 0.1 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.159 2.184 . . . . 6.55 107.852 168.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -168.89 45.96 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 128.568 2.747 . . . . 10.12 107.268 158.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -121.69 -50.9 2.06 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 129.525 3.13 . . . . 9.77 107.977 -173.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -61.27 126.56 27.79 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.06 -1.089 . . . . 10.75 108.06 168.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -68.82 152.2 45.61 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.377 -0.601 . . . . 16.12 109.377 168.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.83 -179.43 7.28 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.961 -1.126 . . . . 17.78 107.961 160.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.7 t0 52.81 66.34 1.25 Allowed 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.518 1.927 . . . . 22.46 108.973 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.6 m -75.74 67.28 2.16 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 113.967 -1.47 . . . . 21.52 112.928 -159.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 m 61.22 65.72 1.83 Allowed Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 124.659 1.183 . . . . 25.33 112.4 173.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -69.68 177.13 5.83 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.458 2.105 . . . . 27.85 110.493 171.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -138.78 160.08 40.55 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 105.433 -2.062 . . . . 33.04 105.433 170.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 . . . . . 0 CA--C 1.531 0.237 0 C-N-CA 124.505 1.122 . . . . 34.9 109.644 -177.425 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 108.496 -0.928 . . . . 21.88 108.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -33.34 169.74 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 130.128 3.371 . . . . 17.76 113.848 158.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 m 72.6 95.26 0.07 Allowed 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.904 1.282 . . . . 15.9 113.965 164.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -68.54 -31.62 70.98 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.831 -0.622 . . . . 20.64 110.459 168.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -124.56 96.98 5.1 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.977 1.311 . . . . 20.18 111.072 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.2 p 43.6 93.4 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.348 1.859 . . . . 12.09 114.385 158.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -146.92 -26.96 0.4 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.616 0.766 . . . . 11.38 112.321 -173.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.77 142.72 54.85 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.576 -1.268 . . . . 6.31 107.576 160.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -74.06 172.04 12.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.627 0.771 . . . . 2.92 110.184 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.09 134.4 42.23 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.499 -1.667 . . . . 2.59 106.499 176.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.78 165.18 24.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.403 0.621 . . . . 1.31 111.776 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -57.74 -53.41 58.49 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.556 -0.905 . . . . 4.46 108.556 172.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.86 -54.72 17.72 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 123.81 0.844 . . . . 1.51 110.042 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.524 ' NE2' ' CD1' ' A' ' 40' ' ' LEU . 3.1 mt-30 -53.95 -52.41 60.72 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.252 0.549 . . . . 2.8 109.617 -175.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.2 m -56.43 -49.41 74.63 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 118.381 -0.819 . . . . 0.77 110.814 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -50.08 69.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.522 1.055 . . . . 0.64 110.314 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.38 -48.49 76.77 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.604 -0.887 . . . . 2.75 108.604 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.08 -42.31 98.27 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.595 -0.691 . . . . 1.43 112.61 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.45 -45.2 69.41 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.006 1.322 . . . . 4.17 111.503 168.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -51.71 63.81 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.722 -0.844 . . . . 4.43 108.722 169.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.13 -33.97 67.91 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.288 0.635 . . . . 3.63 110.237 -171.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.22 -24.39 67.86 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.921 -0.487 . . . . 1.18 111.407 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -83.98 -21.02 31.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.313 0.645 . . . . 3.17 111.369 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.3 -54.9 4.47 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.731 -1.581 . . . . 2.76 106.731 -175.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -137.66 135.88 36.93 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.976 1.31 . . . . 2.19 108.914 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -74.46 -39.05 62.77 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.63 -0.669 . . . . 4.97 110.506 175.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -128.45 123.77 34.53 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 104.357 -2.46 . . . . 3.09 104.357 164.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -70.65 149.11 10.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 120.825 1.648 . . . . 1.49 112.123 177.489 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -59.49 144.63 46.66 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.234 -1.348 . . . . 0.91 108.898 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 -53.1 -42.74 66.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.273 0.942 . . . . 4.11 111.555 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -56.86 16.2 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 108.945 -0.761 . . . . 4.63 108.945 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -58.74 -35.05 72.1 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.356 -0.238 . . . . 3.45 110.356 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -73.22 -40.04 65.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.856 -0.592 . . . . 2.4 111.426 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.42 -45.74 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 119.048 0.84 . . . . 1.05 109.025 171.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -63.27 1.2 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.556 1.143 . . . . 2.22 108.288 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -55.81 -53.18 40.53 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 124.099 0.96 . . . . 1.22 110.394 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.0 -38.73 17.72 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 120.865 -1.147 . . . . 0.49 110.353 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -71.02 -70.72 0.29 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.596 0.236 . . . . 1.33 110.677 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.43 -35.32 80.02 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.78 0.832 . . . . 0.84 113.017 -170.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.45 -4.12 59.12 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.699 2.4 . . . . 1.15 109.905 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.6 p 52.01 63.65 2.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.677 1.591 . . . . 2.54 113.814 173.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' CD1' ' NE2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -139.75 -175.71 4.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.105 1.362 . . . . 1.74 109.505 171.048 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 100.0 p -110.53 161.54 15.6 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 119.308 0.958 . . . . 1.17 111.695 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.88 -43.53 98.65 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.411 -0.589 . . . . 3.41 109.411 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -47.08 -58.12 4.35 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 123.991 0.917 . . . . 7.1 110.244 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -58.96 -60.48 3.79 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.862 -0.792 . . . . 4.38 108.862 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.08 -46.58 88.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 120.769 0.319 . . . . 0.8 110.672 -169.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -53.41 -51.73 61.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.99 0.916 . . . . 3.58 109.29 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.22 -51.37 73.34 Favored 'Isoleucine or valine' 0 C--N 1.342 0.252 0 C-N-CA 120.253 -0.579 . . . . 1.7 109.879 175.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -51.12 -53.3 35.53 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 118.151 -0.928 . . . . 0.82 109.844 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -58.76 -39.05 79.86 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 119.041 0.837 . . . . 1.16 111.295 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -47.3 86.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.353 -0.61 . . . . 4.16 109.353 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -53.98 47.74 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 125.987 1.715 . . . . 3.28 111.4 -179.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -59.29 -23.93 62.84 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 126.279 1.832 . . . . 6.17 113.083 -171.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -50.38 -38.32 41.9 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.908 -0.495 . . . . 2.93 111.377 167.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 44.2 ttm -108.01 52.99 0.7 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.224 1.009 . . . . 5.71 109.294 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -65.61 17.48 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.924 1.29 . . . . 9.19 114.089 178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.0 p 45.22 40.24 4.86 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.552 1.541 . . . . 5.76 112.347 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.13 -47.05 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.023 1.329 . . . . 7.27 107.685 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -94.17 33.5 1.36 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.571 0.701 . . . . 7.5 109.559 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -95.5 -70.14 0.72 Allowed 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.53 1.932 . . . . 6.83 106.924 169.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 10.81 53.58 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 129.377 3.071 . . . . 8.82 115.0 -159.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.3 t 174.84 177.85 0.14 Allowed 'General case' 0 N--CA 1.449 -0.485 1 C-N-CA 131.911 4.084 . . . . 10.8 104.845 168.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 tt -158.83 132.44 7.47 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 105.144 -2.169 . . . . 14.76 105.144 172.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -80.05 68.74 6.27 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.43 -1.322 . . . . 20.06 107.43 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -79.14 54.88 1.72 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.445 -0.798 . . . . 21.31 109.937 -173.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.6 t -120.21 65.82 11.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 124.855 1.262 . . . . 25.09 110.514 -172.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.73 66.58 6.63 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.004 2.469 . . . . 28.32 110.44 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.31 64.41 2.69 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.427 -0.953 . . . . 30.99 108.427 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 124.962 1.305 . . . . 35.23 108.343 -173.855 . . . . . . . . 0 0 . 1 stop_ save_