data_6ht4_residue ############################ # Computer software used # ############################ 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 6ht4 _Structure_validation_residue.Date_analyzed 2019-07-19 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 ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 119.663 -0.208 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -69.26 164.14 35.18 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.528 2.152 . . . . 0.0 112.931 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.48 -28.68 17.46 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.298 1.523 . . . . 0.0 109.224 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.5 -10.1 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.89 26.54 0.97 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 111.781 -2.463 . . . . 0.0 112.028 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.45 106.82 17.38 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.079 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -52.19 -27.31 29.52 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 123.672 2.914 . . . . 0.0 114.654 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 179.719 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.543 0.674 0 CA-C-O 119.588 -0.244 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . 0.415 ' O ' ' HB1' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -69.25 163.81 36.45 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.477 2.118 . . . . 0.0 113.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.62 -28.63 17.38 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 123.321 1.534 . . . . 0.0 109.189 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 -79.43 -10.36 59.79 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 110.547 -3.024 . . . . 0.0 109.25 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 310' ' ' PRO . . . -84.86 28.99 0.65 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 111.699 -2.5 . . . . 0.0 112.027 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -129.21 105.21 17.89 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.249 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.53 -27.63 33.19 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 123.596 2.864 . . . . 0.0 114.555 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.315 -0.911 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.94 179.805 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 119.747 -0.168 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 7.9 Cg_exo -68.77 163.97 35.15 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 122.495 2.13 . . . . 0.0 113.042 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.34 -28.57 17.64 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 123.349 1.547 . . . . 0.0 109.284 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.54 -10.03 59.72 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 110.586 -3.006 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 310' ' ' PRO . . . -85.2 35.13 0.58 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.744 -2.48 . . . . 0.0 112.028 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 16.4 ttm180 -129.27 106.12 17.72 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.9 Cg_endo -52.03 -27.13 27.7 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.612 2.875 . . . . 0.0 114.628 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--N 1.317 -0.838 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.88 179.704 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.536 0.426 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -71.25 163.67 38.34 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.301 2.0 . . . . 0.0 113.035 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.74 -28.87 17.14 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 123.391 1.567 . . . . 0.0 109.32 -176.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.35 -9.78 59.66 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.292 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.22 18.37 2.64 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 111.816 -2.447 . . . . 0.0 112.119 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -129.75 108.3 17.05 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -50.5 -26.43 16.47 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 123.853 3.035 . . . . 0.0 114.868 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.459 179.548 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 119.303 -0.38 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 313' ' ' ALA . 10.8 Cg_exo -67.76 164.16 32.49 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.495 2.13 . . . . 0.0 112.939 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.14 -28.59 17.79 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-O 123.334 1.54 . . . . 0.0 109.238 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -79.64 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 110.594 -3.003 . . . . 0.0 109.132 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 310' ' ' PRO . . . -84.31 15.02 3.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 111.787 -2.46 . . . . 0.0 112.521 -178.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 6.6 mpt_? -129.33 102.91 18.28 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.453 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 10.2 Cg_endo -52.55 -28.5 36.79 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 123.407 2.738 . . . . 0.0 114.361 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.356 179.685 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 119.408 -0.33 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -69.04 163.9 35.89 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.498 2.132 . . . . 0.0 112.878 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.45 -28.62 17.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.296 1.522 . . . . 0.0 109.285 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.23 59.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 110.549 -3.023 . . . . 0.0 109.292 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.1 22.36 1.45 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 111.689 -2.505 . . . . 0.0 112.155 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 94.7 mtt180 -129.5 106.89 17.3 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.17 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.6 Cg_endo -52.01 -27.16 27.64 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 123.718 2.946 . . . . 0.0 114.614 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.674 179.735 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 310' ' ' PRO . 2.7 tt . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -68.58 164.09 34.32 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.35 2.033 . . . . 0.0 113.098 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.7 17.44 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 123.352 1.548 . . . . 0.0 109.223 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.5 -10.12 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.533 -3.031 . . . . 0.0 109.218 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 310' ' ' PRO . . . -85.4 38.1 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.911 -178.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 95.7 mtt180 -129.52 106.59 17.29 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.162 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.8 Cg_endo -51.42 -26.63 21.86 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.698 2.932 . . . . 0.0 114.67 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--N 1.317 -0.83 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.817 179.726 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 119.565 -0.255 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -69.16 164.05 35.44 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.366 2.044 . . . . 0.0 112.994 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.65 -28.58 17.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 123.268 1.509 . . . . 0.0 109.17 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.51 -10.15 59.75 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 110.665 -2.97 . . . . 0.0 109.378 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.59 22.07 1.67 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 111.742 -2.481 . . . . 0.0 112.172 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.44 105.84 17.48 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.133 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -49.3 -25.37 9.82 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.753 2.969 . . . . 0.0 114.883 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.113 179.677 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 119.455 -0.307 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -69.82 163.93 36.47 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.565 2.177 . . . . 0.0 112.896 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.83 17.36 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-O 123.318 1.532 . . . . 0.0 109.299 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.46 -9.66 59.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.58 28.87 0.73 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 111.878 -2.419 . . . . 0.0 112.183 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -129.38 105.24 17.62 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.433 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.73 -27.45 33.92 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.487 2.791 . . . . 0.0 114.554 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.317 -0.837 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.913 179.817 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 119.717 -0.182 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -71.62 163.78 37.85 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.446 2.097 . . . . 0.0 112.922 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.84 17.23 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.324 1.535 . . . . 0.0 109.345 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.47 -9.63 59.65 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.33 30.16 0.63 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 111.852 -2.431 . . . . 0.0 112.149 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.41 106.15 17.5 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.224 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.42 -27.39 31.4 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.521 2.814 . . . . 0.0 114.664 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.598 179.771 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 119.324 -0.369 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -70.77 163.96 37.24 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.597 2.198 . . . . 0.0 112.849 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.53 -28.79 17.35 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.407 1.575 . . . . 0.0 109.37 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.93 29.68 0.71 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.798 -2.456 . . . . 0.0 112.221 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -129.36 105.33 17.65 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.316 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.63 -27.57 33.68 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.504 2.803 . . . . 0.0 114.679 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.82 179.777 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 313' ' ' ALA . 7.3 Cg_exo -68.96 163.87 35.92 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.35 2.033 . . . . 0.0 112.986 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.43 -28.6 17.54 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 123.311 1.529 . . . . 0.0 109.274 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.67 -9.85 59.7 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 110.536 -3.029 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 310' ' ' PRO . . . -85.16 31.33 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.831 -2.44 . . . . 0.0 112.082 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . 0.434 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 96.3 mtt180 -129.43 106.14 17.47 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.257 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 8.7 Cg_endo -52.63 -27.49 33.37 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.592 2.862 . . . . 0.0 114.508 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.316 -0.87 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.734 179.636 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 119.252 -0.404 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' ' 313' ' ' ALA . 8.3 Cg_exo -68.06 164.07 33.4 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.411 2.074 . . . . 0.0 112.927 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.45 17.64 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.249 1.5 . . . . 0.0 109.235 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.6 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 110.556 -3.02 . . . . 0.0 109.3 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 310' ' ' PRO . . . -85.52 25.16 1.08 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 111.738 -2.483 . . . . 0.0 112.21 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.47 105.78 17.44 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.123 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -49.88 -25.37 11.91 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.728 2.952 . . . . 0.0 114.922 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.317 -0.822 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.763 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 309' ' ' LEU . 2.1 pp . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -69.73 164.09 35.81 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.395 2.063 . . . . 0.0 112.682 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.32 -28.93 17.42 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.327 1.537 . . . . 0.0 109.382 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -79.43 -9.99 59.71 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 110.585 -3.007 . . . . 0.0 109.445 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.83 36.86 0.68 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.064 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -129.26 104.79 17.87 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.461 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.62 -28.67 47.23 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.398 2.732 . . . . 0.0 114.44 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.317 -0.814 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.405 179.788 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 119.482 -0.294 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . 0.419 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 8.9 Cg_exo -67.89 164.4 31.82 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.598 2.199 . . . . 0.0 112.938 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.3 -28.49 17.72 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 123.355 1.55 . . . . 0.0 109.207 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.6 -9.96 59.71 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.275 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 310' ' ' PRO . . . -86.22 29.7 0.73 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 111.654 -2.521 . . . . 0.0 111.855 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.29 105.58 17.73 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.187 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -47.79 -23.09 3.68 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.903 3.069 . . . . 0.0 115.113 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.317 -0.808 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.955 179.786 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.538 0.483 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . 0.403 ' O ' ' HB1' ' A' ' 313' ' ' ALA . 8.6 Cg_exo -67.67 164.12 32.48 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.46 2.107 . . . . 0.0 112.834 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.23 -28.62 17.69 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 123.363 1.554 . . . . 0.0 109.296 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.63 -10.03 59.73 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 110.591 -3.004 . . . . 0.0 109.24 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 310' ' ' PRO . . . -86.27 26.8 0.99 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.803 -2.453 . . . . 0.0 112.128 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -129.25 105.31 17.82 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.363 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.72 -27.61 34.55 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.523 2.815 . . . . 0.0 114.641 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.777 179.753 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 119.466 -0.302 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 9.4 Cg_exo -67.88 164.19 32.61 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.473 2.116 . . . . 0.0 112.892 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.56 17.67 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.257 1.503 . . . . 0.0 109.215 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.48 59.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 110.623 -2.99 . . . . 0.0 109.308 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 310' ' ' PRO . . . -85.44 16.99 3.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 111.668 -2.514 . . . . 0.0 112.261 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.26 102.65 18.55 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.93 -28.5 39.72 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.39 2.726 . . . . 0.0 114.166 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.105 179.519 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 CA--C 1.541 0.62 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -70.05 163.82 37.09 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.335 2.023 . . . . 0.0 112.86 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.75 -28.95 17.07 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 123.376 1.56 . . . . 0.0 109.34 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.66 -10.07 59.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.448 -3.069 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.84 11.13 11.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 111.862 -2.426 . . . . 0.0 112.196 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -129.65 106.35 17.12 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -50.88 -25.98 17.01 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 123.729 2.952 . . . . 0.0 114.891 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.318 -0.804 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.04 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 CA--C 1.537 0.451 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -70.61 163.99 36.98 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.537 2.158 . . . . 0.0 112.954 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.71 -28.83 17.18 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 123.366 1.555 . . . . 0.0 109.265 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -79.51 -9.68 59.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 110.542 -3.026 . . . . 0.0 109.433 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.75 24.11 1.3 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 111.909 -2.405 . . . . 0.0 112.261 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -129.54 106.41 17.29 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.22 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -52.46 -27.38 31.69 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 123.586 2.857 . . . . 0.0 114.543 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.602 179.638 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -67.26 164.28 31.06 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.401 2.067 . . . . 0.0 112.901 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.25 -28.79 17.57 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 123.348 1.547 . . . . 0.0 109.185 -176.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.59 -10.7 59.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 110.528 -3.033 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.14 3.27 39.83 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 111.753 -2.476 . . . . 0.0 112.245 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 82.6 mtm180 -129.8 102.8 17.64 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.952 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 3.7 Cg_endo -47.85 -24.97 5.51 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 123.783 2.989 . . . . 0.0 115.186 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.551 179.872 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 313' ' ' ALA . 7.7 Cg_exo -68.04 164.02 33.58 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.53 2.154 . . . . 0.0 112.984 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.28 -28.77 17.56 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 123.363 1.554 . . . . 0.0 109.292 -176.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.6 -10.11 59.74 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 110.541 -3.027 . . . . 0.0 109.275 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 310' ' ' PRO . . . -85.62 28.53 0.76 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 111.759 -2.473 . . . . 0.0 112.126 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.27 105.53 17.76 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.306 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.69 -27.74 34.83 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 123.518 2.812 . . . . 0.0 114.59 179.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.751 179.788 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -71.7 163.79 37.79 Favored 'Trans proline' 0 C--N 1.375 1.974 0 C-N-CA 122.566 2.177 . . . . 0.0 112.917 179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.66 -28.92 17.16 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.391 1.567 . . . . 0.0 109.336 -176.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.41 -9.49 59.61 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.327 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.74 28.5 0.77 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 111.911 -2.404 . . . . 0.0 112.227 -178.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -129.49 106.97 17.31 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.191 -179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -51.18 -26.21 19.24 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 123.753 2.969 . . . . 0.0 114.836 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.318 -0.802 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.751 179.695 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 119.416 -0.326 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -70.31 163.89 37.08 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.555 2.17 . . . . 0.0 113.041 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.78 17.43 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 123.384 1.564 . . . . 0.0 109.332 -176.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.53 -10.0 59.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 110.508 -3.042 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -84.78 36.43 0.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 111.848 -2.433 . . . . 0.0 112.031 -178.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 314' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 68.9 mtm180 -129.48 106.72 17.34 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.106 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.4 Cg_endo -51.0 -26.24 18.1 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 123.689 2.926 . . . . 0.0 114.944 179.738 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.936 179.754 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.97 158.19 32.52 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 119.375 -0.345 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.6 -31.74 8.43 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.519 2.146 . . . . 0.0 113.069 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -95.78 143.47 26.99 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.371 0.419 . . . . 0.0 110.965 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . 62.34 123.11 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.965 0.906 . . . . 0.0 112.293 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -131.48 107.95 14.57 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.787 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -69.26 164.14 35.18 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.528 2.152 . . . . 0.0 112.931 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.48 -28.68 17.46 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.298 1.523 . . . . 0.0 109.224 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.5 -10.1 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.89 26.54 0.97 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 111.781 -2.463 . . . . 0.0 112.028 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.45 106.82 17.38 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.079 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -52.19 -27.31 29.52 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 123.672 2.914 . . . . 0.0 114.654 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -82.62 -3.61 56.45 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -116.97 124.7 50.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.034 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.77 150.4 36.66 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.65 151.33 41.25 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.605 2.204 . . . . 0.0 112.675 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -70.88 119.95 6.7 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.609 2.206 . . . . 0.0 113.008 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 11.6 mt -127.32 147.58 50.25 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.56 120.4 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.205 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.133 -0.936 . . . . 0.0 110.817 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.404 -0.278 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -99.65 158.85 31.39 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-O 119.261 -0.4 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.92 -34.79 8.13 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.579 2.186 . . . . 0.0 113.202 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -98.5 107.6 20.09 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.371 0.419 . . . . 0.0 110.816 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -141.13 150.18 42.49 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.201 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -110.47 107.97 58.34 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.503 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . 0.415 ' O ' ' HB1' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -69.25 163.81 36.45 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.477 2.118 . . . . 0.0 113.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.62 -28.63 17.38 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 123.321 1.534 . . . . 0.0 109.189 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 -79.43 -10.36 59.79 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 110.547 -3.024 . . . . 0.0 109.25 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 310' ' ' PRO . . . -84.86 28.99 0.65 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 111.699 -2.5 . . . . 0.0 112.027 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -129.21 105.21 17.89 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.249 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.53 -27.63 33.19 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 123.596 2.864 . . . . 0.0 114.555 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.09 -4.77 58.7 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.94 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -98.81 115.66 29.3 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.354 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -108.15 113.81 60.28 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.102 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -62.8 137.51 63.57 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.645 2.23 . . . . 0.0 113.082 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -72.01 124.02 9.75 Favored 'Trans proline' 0 C--N 1.371 1.735 0 C-N-CA 122.523 2.149 . . . . 0.0 113.149 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.4 tp -97.46 146.99 24.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.689 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.67 129.34 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.197 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.855 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -100.25 122.91 48.57 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 119.326 -0.368 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.6 141.48 80.04 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.67 2.247 . . . . 0.0 112.968 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 62.67 120.77 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.932 0.893 . . . . 0.0 111.928 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -128.3 149.24 50.58 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.307 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.3 mt -127.34 107.11 21.36 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.764 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 7.9 Cg_exo -68.77 163.97 35.15 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 122.495 2.13 . . . . 0.0 113.042 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.34 -28.57 17.64 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 123.349 1.547 . . . . 0.0 109.284 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.54 -10.03 59.72 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 110.586 -3.006 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 310' ' ' PRO . . . -85.2 35.13 0.58 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.744 -2.48 . . . . 0.0 112.028 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 16.4 ttm180 -129.27 106.12 17.72 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.9 Cg_endo -52.03 -27.13 27.7 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.612 2.875 . . . . 0.0 114.628 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.62 -4.76 56.98 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.88 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -113.76 123.86 50.88 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.124 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -97.83 115.79 65.74 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.494 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . 0.5 ' O ' HD11 ' A' ' 321' ' ' LEU . 29.5 Cg_exo -63.7 157.87 49.4 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.522 2.148 . . . . 0.0 113.003 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -77.88 109.85 2.8 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.748 2.299 . . . . 0.0 112.691 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . 0.5 HD11 ' O ' ' A' ' 319' ' ' PRO . 4.8 mp -98.4 139.68 33.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.905 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.06 130.74 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.868 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -119.19 -44.66 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.257 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.27 149.43 27.98 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.362 2.041 . . . . 0.0 112.806 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.17 142.64 32.32 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.695 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -126.04 140.69 52.39 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.173 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -125.1 134.49 25.78 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.544 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -71.25 163.67 38.34 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.301 2.0 . . . . 0.0 113.035 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.74 -28.87 17.14 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 123.391 1.567 . . . . 0.0 109.32 -176.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.35 -9.78 59.66 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.292 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.22 18.37 2.64 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 111.816 -2.447 . . . . 0.0 112.119 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -129.75 108.3 17.05 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -50.5 -26.43 16.47 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 123.853 3.035 . . . . 0.0 114.868 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.68 11.07 13.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.459 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -131.14 140.73 50.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.715 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -88.14 150.58 47.61 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.346 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . 0.404 ' O ' HD11 ' A' ' 321' ' ' LEU . 8.3 Cg_exo -72.26 134.45 22.93 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 122.525 2.15 . . . . 0.0 112.89 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.11 121.07 5.61 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.536 2.157 . . . . 0.0 113.168 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . 0.404 HD11 ' O ' ' A' ' 319' ' ' PRO . 4.8 mp -121.89 144.33 48.91 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.767 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.6 m -137.95 119.67 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.441 ' H ' ' CD ' ' A' ' 306' ' ' PRO . 81.0 m-85 -127.24 -44.49 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.718 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.305 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.441 ' CD ' ' H ' ' A' ' 305' ' ' PHE . 3.5 Cg_exo -76.66 157.23 35.84 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.266 1.978 . . . . 0.0 112.771 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -128.39 143.26 50.97 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.717 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -111.76 -40.81 4.19 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.46 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.5 mp -97.75 125.96 42.63 Favored Pre-proline 0 CA--C 1.539 0.554 0 O-C-N 123.369 0.418 . . . . 0.0 110.835 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 313' ' ' ALA . 10.8 Cg_exo -67.76 164.16 32.49 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.495 2.13 . . . . 0.0 112.939 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.14 -28.59 17.79 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-O 123.334 1.54 . . . . 0.0 109.238 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -79.64 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 110.594 -3.003 . . . . 0.0 109.132 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 310' ' ' PRO . . . -84.31 15.02 3.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 111.787 -2.46 . . . . 0.0 112.521 -178.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 6.6 mpt_? -129.33 102.91 18.28 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.453 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 10.2 Cg_endo -52.55 -28.5 36.79 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 123.407 2.738 . . . . 0.0 114.361 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -88.67 -32.38 18.03 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.356 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 7.5 t80 62.6 122.49 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.059 0.944 . . . . 0.0 111.872 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -104.08 155.93 36.43 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.73 141.92 74.37 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.574 2.183 . . . . 0.0 112.958 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -71.25 121.39 7.75 Favored 'Trans proline' 0 C--N 1.371 1.755 0 C-N-CA 122.747 2.298 . . . . 0.0 113.087 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 4.9 tp -128.67 131.42 48.0 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.479 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.45 132.2 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.213 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.794 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -96.78 -44.55 0.25 Allowed Pre-proline 0 CA--C 1.544 0.725 0 CA-C-O 118.616 -0.707 . . . . 0.0 112.224 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.56 151.81 33.07 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.291 1.994 . . . . 0.0 112.712 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -128.4 136.37 50.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -99.35 -42.84 6.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.354 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.9 mp -125.72 154.98 73.2 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.827 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -69.04 163.9 35.89 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.498 2.132 . . . . 0.0 112.878 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.45 -28.62 17.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.296 1.522 . . . . 0.0 109.285 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.23 59.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 110.549 -3.023 . . . . 0.0 109.292 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.1 22.36 1.45 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 111.689 -2.505 . . . . 0.0 112.155 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 94.7 mtt180 -129.5 106.89 17.3 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.17 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.6 Cg_endo -52.01 -27.16 27.64 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 123.718 2.946 . . . . 0.0 114.614 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.32 -7.76 59.53 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.674 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -105.76 119.74 39.92 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.116 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -109.45 141.98 24.71 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.325 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -74.69 160.77 40.59 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.417 2.078 . . . . 0.0 112.72 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.7 110.32 2.3 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.713 2.275 . . . . 0.0 112.661 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.53 142.33 31.15 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.938 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -114.96 118.8 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.174 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.486 1.328 0 C-N-CA 123.868 0.867 . . . . 0.0 112.012 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.436 ' H ' ' CD ' ' A' ' 306' ' ' PRO . 81.9 m-85 -126.68 -44.56 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.739 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.436 ' CD ' ' H ' ' A' ' 305' ' ' PHE . 2.9 Cg_exo -76.88 -34.82 2.14 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.363 2.042 . . . . 0.0 113.125 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -96.81 -40.07 9.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.386 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -97.2 130.82 44.39 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.351 0.407 . . . . 0.0 111.261 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 310' ' ' PRO . 2.7 tt -114.01 136.09 22.14 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -68.58 164.09 34.32 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.35 2.033 . . . . 0.0 113.098 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.7 17.44 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 123.352 1.548 . . . . 0.0 109.223 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.5 -10.12 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.533 -3.031 . . . . 0.0 109.218 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 310' ' ' PRO . . . -85.4 38.1 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.911 -178.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 95.7 mtt180 -129.52 106.59 17.29 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.162 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.8 Cg_endo -51.42 -26.63 21.86 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.698 2.932 . . . . 0.0 114.67 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.39 -16.32 54.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.817 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -116.22 122.94 46.48 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.075 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -99.31 150.32 36.63 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . 0.436 ' O ' HD12 ' A' ' 321' ' ' LEU . 6.1 Cg_exo -74.45 154.3 45.24 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.635 2.223 . . . . 0.0 112.569 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.76 121.59 7.49 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 122.525 2.15 . . . . 0.0 113.2 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 319' ' ' PRO . 4.9 mp -102.39 149.28 24.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.986 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.5 m -117.36 119.27 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.171 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.859 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -99.23 157.99 33.05 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-O 119.341 -0.362 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.43 152.99 44.54 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.564 2.176 . . . . 0.0 112.719 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -114.29 125.9 54.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.767 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -129.85 140.72 50.94 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.186 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.79 111.86 65.23 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.699 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -69.16 164.05 35.44 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.366 2.044 . . . . 0.0 112.994 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.65 -28.58 17.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 123.268 1.509 . . . . 0.0 109.17 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.51 -10.15 59.75 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 110.665 -2.97 . . . . 0.0 109.378 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.59 22.07 1.67 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 111.742 -2.481 . . . . 0.0 112.172 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 317' ' ' TYR . 99.2 mtt180 -129.44 105.84 17.48 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.133 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -49.3 -25.37 9.82 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.753 2.969 . . . . 0.0 114.883 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -89.17 32.14 0.85 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.113 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 314' ' ' ARG . 22.5 t80 -91.15 113.31 25.54 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.738 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -118.41 154.39 52.14 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.73 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.95 134.26 27.17 Favored 'Trans proline' 0 C--N 1.373 1.858 0 C-N-CA 122.501 2.134 . . . . 0.0 112.791 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.01 18.65 0.74 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.526 2.151 . . . . 0.0 113.515 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.3 mp -98.44 143.58 28.73 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 10.3 t 65.41 132.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 123.846 0.858 . . . . 0.0 111.105 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.878 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -102.16 -46.65 0.19 Allowed Pre-proline 0 CA--C 1.546 0.789 0 CA-C-O 118.733 -0.651 . . . . 0.0 111.795 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.57 156.61 32.11 Favored 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.327 2.018 . . . . 0.0 112.787 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -115.14 144.55 43.5 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -128.09 135.64 50.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -125.4 154.5 72.34 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -69.82 163.93 36.47 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.565 2.177 . . . . 0.0 112.896 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.83 17.36 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-O 123.318 1.532 . . . . 0.0 109.299 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.46 -9.66 59.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.58 28.87 0.73 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 111.878 -2.419 . . . . 0.0 112.183 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -129.38 105.24 17.62 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.433 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.73 -27.45 33.92 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.487 2.791 . . . . 0.0 114.554 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.66 -1.25 50.59 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.913 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -99.45 115.71 29.92 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.238 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -101.63 108.9 57.73 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.202 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.35 153.12 79.26 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.61 2.207 . . . . 0.0 112.905 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.11 121.82 7.17 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.549 2.166 . . . . 0.0 113.403 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.56 145.55 51.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.768 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.2 131.17 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.313 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.827 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -99.53 107.94 48.1 Favored Pre-proline 0 CA--C 1.542 0.672 0 O-C-N 123.618 0.246 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.35 157.31 62.34 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.6 2.2 . . . . 0.0 112.658 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -133.74 -41.53 0.85 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.797 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -97.44 -49.87 4.74 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.243 0.339 . . . . 0.0 111.888 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.7 mp -132.22 105.56 13.54 Favored Pre-proline 0 CA--C 1.542 0.655 0 O-C-N 123.209 0.318 . . . . 0.0 111.027 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -71.62 163.78 37.85 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.446 2.097 . . . . 0.0 112.922 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.84 17.23 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.324 1.535 . . . . 0.0 109.345 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.47 -9.63 59.65 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.33 30.16 0.63 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 111.852 -2.431 . . . . 0.0 112.149 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.41 106.15 17.5 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.224 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.42 -27.39 31.4 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.521 2.814 . . . . 0.0 114.664 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -84.51 -7.67 59.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.598 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -102.78 118.43 36.83 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.207 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -127.23 107.07 21.58 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.475 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.45 159.79 52.28 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.486 2.124 . . . . 0.0 112.855 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.38 109.7 2.5 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.664 2.243 . . . . 0.0 112.591 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 12.8 mt -120.48 135.77 54.96 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.852 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.7 118.49 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.163 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--O 1.252 1.235 0 CA-C-O 118.444 -0.789 . . . . 0.0 110.568 179.862 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -113.1 115.53 47.84 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-O 119.534 -0.27 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.52 -34.8 63.33 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.617 2.212 . . . . 0.0 113.242 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -107.45 144.91 33.71 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.353 0.408 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -127.54 140.82 51.88 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.0 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -98.91 151.87 37.57 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -70.77 163.96 37.24 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.597 2.198 . . . . 0.0 112.849 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.53 -28.79 17.35 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.407 1.575 . . . . 0.0 109.37 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.93 29.68 0.71 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.798 -2.456 . . . . 0.0 112.221 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -129.36 105.33 17.65 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.316 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.63 -27.57 33.68 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.504 2.803 . . . . 0.0 114.679 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.54 -4.69 57.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.82 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -98.83 116.0 30.08 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.202 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -121.37 118.76 29.77 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.602 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.74 140.48 74.46 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.567 2.178 . . . . 0.0 112.958 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.27 168.78 23.87 Favored 'Trans proline' 0 C--N 1.371 1.739 0 C-N-CA 122.56 2.174 . . . . 0.0 113.117 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 11.8 mt 62.2 122.64 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.039 0.936 . . . . 0.0 112.13 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.51 120.52 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.209 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.538 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -122.6 158.23 57.11 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-O 119.337 -0.363 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.7 157.17 48.49 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.558 2.172 . . . . 0.0 112.785 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -124.64 -42.77 2.05 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.281 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -102.89 128.25 49.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.188 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 2.5 tt -130.48 131.9 23.65 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 313' ' ' ALA . 7.3 Cg_exo -68.96 163.87 35.92 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.35 2.033 . . . . 0.0 112.986 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.43 -28.6 17.54 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 123.311 1.529 . . . . 0.0 109.274 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.67 -9.85 59.7 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 110.536 -3.029 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 310' ' ' PRO . . . -85.16 31.33 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.831 -2.44 . . . . 0.0 112.082 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . 0.434 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 96.3 mtt180 -129.43 106.14 17.47 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.257 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 8.7 Cg_endo -52.63 -27.49 33.37 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.592 2.862 . . . . 0.0 114.508 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -84.28 -4.07 58.62 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.734 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -109.59 122.63 47.86 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.115 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -97.99 142.41 24.53 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . 0.492 ' O ' HD13 ' A' ' 321' ' ' LEU . 15.2 Cg_exo -69.86 134.35 27.56 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.423 2.082 . . . . 0.0 112.698 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.19 109.46 2.69 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 122.548 2.166 . . . . 0.0 112.697 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 319' ' ' PRO . 4.9 mp -97.37 145.14 26.44 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.838 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.24 133.95 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.241 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.855 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -128.32 157.89 73.12 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-O 119.303 -0.379 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.61 148.22 36.9 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.595 2.197 . . . . 0.0 112.702 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -129.32 144.8 51.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -102.27 -42.73 5.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.373 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 11.7 mt -113.06 123.21 34.04 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 123.396 0.435 . . . . 0.0 110.758 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' ' 313' ' ' ALA . 8.3 Cg_exo -68.06 164.07 33.4 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.411 2.074 . . . . 0.0 112.927 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.45 17.64 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.249 1.5 . . . . 0.0 109.235 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.6 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 110.556 -3.02 . . . . 0.0 109.3 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 310' ' ' PRO . . . -85.52 25.16 1.08 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 111.738 -2.483 . . . . 0.0 112.21 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.47 105.78 17.44 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.123 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -49.88 -25.37 11.91 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.728 2.952 . . . . 0.0 114.922 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.38 26.98 1.32 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.763 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -98.21 115.59 28.66 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.474 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -107.51 145.01 30.4 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.92 134.37 21.5 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.462 2.108 . . . . 0.0 113.116 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.7 109.62 2.69 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.574 2.183 . . . . 0.0 112.525 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 12.4 mt -113.34 137.14 51.94 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.969 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.63 122.94 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.507 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.08 111.67 61.37 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 123.619 0.246 . . . . 0.0 110.796 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.62 136.16 44.99 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.578 2.186 . . . . 0.0 113.057 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -130.54 144.5 51.46 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.496 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -100.28 -58.12 1.98 Allowed 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.58 0.55 . . . . 0.0 111.4 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 309' ' ' LEU . 2.1 pp -148.0 129.35 7.22 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.073 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -69.73 164.09 35.81 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.395 2.063 . . . . 0.0 112.682 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.32 -28.93 17.42 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.327 1.537 . . . . 0.0 109.382 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -79.43 -9.99 59.71 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 110.585 -3.007 . . . . 0.0 109.445 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.83 36.86 0.68 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.064 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -129.26 104.79 17.87 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.461 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.62 -28.67 47.23 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.398 2.732 . . . . 0.0 114.44 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -84.4 -2.4 57.1 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.405 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -104.95 120.0 40.39 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.096 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -96.22 153.32 39.08 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.992 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.48 158.6 53.57 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.531 2.154 . . . . 0.0 112.757 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.08 109.58 2.73 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.692 2.262 . . . . 0.0 112.511 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 14.7 mt -99.07 126.74 44.87 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.058 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.6 m -141.32 135.11 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.274 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.819 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 58.73 106.75 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 123.883 0.873 . . . . 0.0 112.012 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.23 157.95 47.05 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.648 2.232 . . . . 0.0 113.08 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.78 146.52 25.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -123.6 149.08 45.77 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.277 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -123.0 155.42 64.06 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.994 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . 0.419 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 8.9 Cg_exo -67.89 164.4 31.82 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.598 2.199 . . . . 0.0 112.938 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.3 -28.49 17.72 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 123.355 1.55 . . . . 0.0 109.207 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.6 -9.96 59.71 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.275 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 310' ' ' PRO . . . -86.22 29.7 0.73 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 111.654 -2.521 . . . . 0.0 111.855 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.29 105.58 17.73 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.187 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -47.79 -23.09 3.68 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.903 3.069 . . . . 0.0 115.113 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -84.16 17.55 2.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.955 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -93.13 112.9 25.0 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.424 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -102.42 143.09 25.91 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.18 161.95 31.87 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.563 2.175 . . . . 0.0 112.742 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.25 112.68 2.62 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.636 2.224 . . . . 0.0 112.69 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 2.5 pp -95.95 141.86 28.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.202 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.47 136.04 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.885 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.78 158.06 32.78 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 119.303 -0.379 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.09 -35.33 4.22 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.487 2.125 . . . . 0.0 113.024 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -120.52 147.95 44.48 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.352 0.407 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -99.57 147.94 24.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.52 155.73 74.12 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . 0.403 ' O ' ' HB1' ' A' ' 313' ' ' ALA . 8.6 Cg_exo -67.67 164.12 32.48 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.46 2.107 . . . . 0.0 112.834 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.23 -28.62 17.69 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 123.363 1.554 . . . . 0.0 109.296 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.63 -10.03 59.73 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 110.591 -3.004 . . . . 0.0 109.24 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 310' ' ' PRO . . . -86.27 26.8 0.99 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.803 -2.453 . . . . 0.0 112.128 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -129.25 105.31 17.82 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.363 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.72 -27.61 34.55 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.523 2.815 . . . . 0.0 114.641 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.28 -1.99 54.55 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.777 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -99.76 116.72 32.5 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.224 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -124.72 154.54 70.37 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.846 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.8 157.98 59.67 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.529 2.153 . . . . 0.0 112.829 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -72.63 107.96 2.43 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.721 2.281 . . . . 0.0 112.647 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.7 mp 62.95 127.06 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.026 0.931 . . . . 0.0 112.165 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.23 120.05 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.248 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.89 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -127.22 143.31 46.64 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-O 119.137 -0.459 . . . . 0.0 110.411 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.16 -35.52 63.66 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 122.484 2.123 . . . . 0.0 113.398 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.63 136.37 38.8 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -126.3 149.98 48.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.185 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.4 117.46 64.71 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . 0.407 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 9.4 Cg_exo -67.88 164.19 32.61 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.473 2.116 . . . . 0.0 112.892 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.56 17.67 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.257 1.503 . . . . 0.0 109.215 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.48 59.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 110.623 -2.99 . . . . 0.0 109.308 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 310' ' ' PRO . . . -85.44 16.99 3.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 111.668 -2.514 . . . . 0.0 112.261 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -129.26 102.65 18.55 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.93 -28.5 39.72 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.39 2.726 . . . . 0.0 114.166 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -92.95 -32.36 14.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.105 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 7.5 t80 60.96 114.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.119 0.968 . . . . 0.0 111.875 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -134.16 111.41 11.96 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.296 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.42 134.14 40.41 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.548 2.165 . . . . 0.0 112.905 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.56 109.96 2.4 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 122.501 2.134 . . . . 0.0 112.672 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.21 124.94 50.39 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.986 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.9 m -140.03 120.33 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.316 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.161 -0.924 . . . . 0.0 110.857 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . 0.442 ' H ' ' CD ' ' A' ' 306' ' ' PRO . 80.4 m-85 -127.45 -44.46 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.718 0 CA-C-O 118.763 -0.637 . . . . 0.0 112.372 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . 0.442 ' CD ' ' H ' ' A' ' 305' ' ' PHE . 3.2 Cg_exo -76.87 145.77 25.58 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.294 1.996 . . . . 0.0 112.961 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -127.47 157.74 39.25 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.654 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -92.42 96.6 10.34 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.14 0.495 . . . . 0.0 111.876 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.5 mp -144.41 110.03 4.94 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.388 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -70.05 163.82 37.09 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.335 2.023 . . . . 0.0 112.86 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.75 -28.95 17.07 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 123.376 1.56 . . . . 0.0 109.34 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.66 -10.07 59.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.448 -3.069 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.84 11.13 11.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 111.862 -2.426 . . . . 0.0 112.196 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -129.65 106.35 17.12 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -50.88 -25.98 17.01 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 123.729 2.952 . . . . 0.0 114.891 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.44 1.8 31.55 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.04 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -100.07 117.58 34.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -109.77 150.12 40.88 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.878 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.95 152.87 79.58 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.647 2.231 . . . . 0.0 113.132 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.05 167.86 25.57 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 122.669 2.246 . . . . 0.0 113.16 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.78 149.59 50.66 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 4.0 m -110.47 117.32 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.228 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.495 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.29 157.99 33.04 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.316 -0.373 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.3 140.56 27.72 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.541 2.161 . . . . 0.0 112.721 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -127.9 130.12 47.99 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.768 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -126.95 135.76 51.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 13.5 mt -126.55 153.58 75.28 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -70.61 163.99 36.98 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.537 2.158 . . . . 0.0 112.954 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.71 -28.83 17.18 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 123.366 1.555 . . . . 0.0 109.265 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -79.51 -9.68 59.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 110.542 -3.026 . . . . 0.0 109.433 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.75 24.11 1.3 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 111.909 -2.405 . . . . 0.0 112.261 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -129.54 106.41 17.29 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.22 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -52.46 -27.38 31.69 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 123.586 2.857 . . . . 0.0 114.543 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.69 4.04 34.47 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.602 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -109.1 122.81 48.07 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.072 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -93.89 111.43 52.86 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.38 146.98 86.91 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.626 2.217 . . . . 0.0 112.988 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.72 169.02 22.98 Favored 'Trans proline' 0 C--N 1.37 1.683 0 C-N-CA 122.703 2.268 . . . . 0.0 113.137 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.8 mp -101.81 151.26 22.28 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 11.2 p -131.81 131.39 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.486 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -100.46 158.37 32.06 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-O 119.318 -0.372 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.84 143.56 33.47 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.636 2.224 . . . . 0.0 112.718 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.03 137.04 51.07 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.614 0.571 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -99.16 -41.9 7.3 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.333 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.1 123.37 22.58 Favored Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 123.345 0.403 . . . . 0.0 110.743 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -67.26 164.28 31.06 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.401 2.067 . . . . 0.0 112.901 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.25 -28.79 17.57 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 123.348 1.547 . . . . 0.0 109.185 -176.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.59 -10.7 59.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 110.528 -3.033 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.14 3.27 39.83 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 111.753 -2.476 . . . . 0.0 112.245 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 82.6 mtm180 -129.8 102.8 17.64 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.952 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 3.7 Cg_endo -47.85 -24.97 5.51 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 123.783 2.989 . . . . 0.0 115.186 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.88 32.46 0.74 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.551 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . 0.408 ' HD2' ' O ' ' A' ' 314' ' ' ARG . 27.1 p90 -88.6 124.7 34.31 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -84.65 155.58 62.03 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.053 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.33 134.23 41.08 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.549 2.166 . . . . 0.0 112.909 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.63 109.72 2.91 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.665 2.244 . . . . 0.0 112.89 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.3 130.45 42.79 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.912 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.87 124.94 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.267 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.77 -179.886 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.113 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.64 158.17 32.62 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.78 -32.07 7.78 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.529 2.152 . . . . 0.0 113.122 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -96.55 142.23 28.87 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.374 0.421 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -125.39 -43.93 1.89 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.286 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.1 155.41 40.99 Favored Pre-proline 0 CA--C 1.539 0.548 0 O-C-N 123.389 0.43 . . . . 0.0 110.838 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 313' ' ' ALA . 7.7 Cg_exo -68.04 164.02 33.58 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.53 2.154 . . . . 0.0 112.984 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.28 -28.77 17.56 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 123.363 1.554 . . . . 0.0 109.292 -176.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.6 -10.11 59.74 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 110.541 -3.027 . . . . 0.0 109.275 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 310' ' ' PRO . . . -85.62 28.53 0.76 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 111.759 -2.473 . . . . 0.0 112.126 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.27 105.53 17.76 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.306 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.69 -27.74 34.83 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 123.518 2.812 . . . . 0.0 114.59 179.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -85.09 -5.81 59.33 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.751 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -100.22 116.97 33.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.367 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -109.65 109.08 59.82 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.72 134.29 37.29 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.557 2.171 . . . . 0.0 112.84 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.52 111.57 2.59 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.546 2.164 . . . . 0.0 112.666 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 11.7 mt -99.63 128.46 45.74 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.884 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.05 135.97 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.286 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.879 179.947 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.68 157.8 33.28 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.28 -23.73 17.46 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.578 2.185 . . . . 0.0 113.194 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.79 -12.84 30.18 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.373 0.421 . . . . 0.0 111.876 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -93.15 -41.18 10.07 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.22 0.325 . . . . 0.0 111.668 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.16 150.78 37.19 Favored Pre-proline 0 CA--C 1.537 0.473 0 O-C-N 123.334 0.396 . . . . 0.0 110.925 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -71.7 163.79 37.79 Favored 'Trans proline' 0 C--N 1.375 1.974 0 C-N-CA 122.566 2.177 . . . . 0.0 112.917 179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.66 -28.92 17.16 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.391 1.567 . . . . 0.0 109.336 -176.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.41 -9.49 59.61 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.327 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -85.74 28.5 0.77 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 111.911 -2.404 . . . . 0.0 112.227 -178.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -129.49 106.97 17.31 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.191 -179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -51.18 -26.21 19.24 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 123.753 2.969 . . . . 0.0 114.836 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.51 -4.47 51.48 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.751 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -120.77 128.1 52.59 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.032 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -93.3 150.27 38.76 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -74.81 161.19 39.65 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.63 2.22 . . . . 0.0 112.82 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.91 109.82 2.43 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 122.655 2.236 . . . . 0.0 112.492 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.7 mp 63.93 147.81 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.022 0.929 . . . . 0.0 112.402 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.45 121.95 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.324 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.848 179.979 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -102.47 157.98 32.66 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-O 119.356 -0.354 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.37 136.36 21.7 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.477 2.118 . . . . 0.0 112.839 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -102.23 -42.8 5.91 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.241 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -119.94 142.82 48.39 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.066 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -99.02 153.15 37.93 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 310' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -70.31 163.89 37.08 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.555 2.17 . . . . 0.0 113.041 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.78 17.43 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 123.384 1.564 . . . . 0.0 109.332 -176.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.53 -10.0 59.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 110.508 -3.042 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -84.78 36.43 0.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 111.848 -2.433 . . . . 0.0 112.031 -178.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 314' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 68.9 mtm180 -129.48 106.72 17.34 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.106 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.4 Cg_endo -51.0 -26.24 18.1 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 123.689 2.926 . . . . 0.0 114.944 179.738 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -81.39 -14.66 56.93 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.936 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -119.64 124.96 47.58 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.51 0.506 . . . . 0.0 110.126 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -99.43 146.73 32.27 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.854 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . 0.463 ' O ' HD11 ' A' ' 321' ' ' LEU . 2.8 Cg_exo -76.35 158.72 36.8 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.549 2.166 . . . . 0.0 112.735 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.86 112.76 3.64 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.646 2.23 . . . . 0.0 112.453 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . 0.463 HD11 ' O ' ' A' ' 319' ' ' PRO . 5.1 mp -92.14 129.25 38.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.022 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.33 133.93 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.244 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.917 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 119.663 -0.208 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.482 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.5 Cg_exo -69.26 164.14 35.18 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.528 2.152 . . . . 0.0 112.931 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.48 -28.68 17.46 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.298 1.523 . . . . 0.0 109.224 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.5 -10.1 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.89 26.54 0.97 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 111.781 -2.463 . . . . 0.0 112.028 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.45 106.82 17.38 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.079 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -52.19 -27.31 29.52 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 123.672 2.914 . . . . 0.0 114.654 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 179.719 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.543 0.674 0 CA-C-O 119.588 -0.244 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.512 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -69.25 163.81 36.45 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.477 2.118 . . . . 0.0 113.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.62 -28.63 17.38 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 123.321 1.534 . . . . 0.0 109.189 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 -79.43 -10.36 59.79 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 110.547 -3.024 . . . . 0.0 109.25 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.86 28.99 0.65 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 111.699 -2.5 . . . . 0.0 112.027 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -129.21 105.21 17.89 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.249 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.53 -27.63 33.19 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 123.596 2.864 . . . . 0.0 114.555 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.315 -0.911 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.94 179.805 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 119.747 -0.168 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.9 Cg_exo -68.77 163.97 35.15 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 122.495 2.13 . . . . 0.0 113.042 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.34 -28.57 17.64 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 123.349 1.547 . . . . 0.0 109.284 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.54 -10.03 59.72 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 110.586 -3.006 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.2 35.13 0.58 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.744 -2.48 . . . . 0.0 112.028 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 16.4 ttm180 -129.27 106.12 17.72 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.9 Cg_endo -52.03 -27.13 27.7 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.612 2.875 . . . . 0.0 114.628 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--N 1.317 -0.838 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.88 179.704 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.536 0.426 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.469 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.0 Cg_exo -71.25 163.67 38.34 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.301 2.0 . . . . 0.0 113.035 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.74 -28.87 17.14 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 123.391 1.567 . . . . 0.0 109.32 -176.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.35 -9.78 59.66 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.292 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.22 18.37 2.64 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 111.816 -2.447 . . . . 0.0 112.119 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.468 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 52.3 mtp180 -129.75 108.3 17.05 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 5.7 Cg_endo -50.5 -26.43 16.47 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 123.853 3.035 . . . . 0.0 114.868 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.459 179.548 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 119.303 -0.38 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.516 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 10.8 Cg_exo -67.76 164.16 32.49 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.495 2.13 . . . . 0.0 112.939 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.14 -28.59 17.79 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-O 123.334 1.54 . . . . 0.0 109.238 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -79.64 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 110.594 -3.003 . . . . 0.0 109.132 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.31 15.02 3.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 111.787 -2.46 . . . . 0.0 112.521 -178.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.434 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 6.6 mpt_? -129.33 102.91 18.28 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.453 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 10.2 Cg_endo -52.55 -28.5 36.79 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 123.407 2.738 . . . . 0.0 114.361 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.356 179.685 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 119.408 -0.33 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.2 Cg_exo -69.04 163.9 35.89 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.498 2.132 . . . . 0.0 112.878 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.45 -28.62 17.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.296 1.522 . . . . 0.0 109.285 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.23 59.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 110.549 -3.023 . . . . 0.0 109.292 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.1 22.36 1.45 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 111.689 -2.505 . . . . 0.0 112.155 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 94.7 mtt180 -129.5 106.89 17.3 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.17 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.6 Cg_endo -52.01 -27.16 27.64 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 123.718 2.946 . . . . 0.0 114.614 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.674 179.735 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 310' ' ' PRO . 2.7 tt . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -68.58 164.09 34.32 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.35 2.033 . . . . 0.0 113.098 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.7 17.44 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 123.352 1.548 . . . . 0.0 109.223 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.5 -10.12 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.533 -3.031 . . . . 0.0 109.218 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.4 38.1 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.911 -178.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 95.7 mtt180 -129.52 106.59 17.29 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.162 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.8 Cg_endo -51.42 -26.63 21.86 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.698 2.932 . . . . 0.0 114.67 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--N 1.317 -0.83 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.817 179.726 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 119.565 -0.255 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.3 Cg_exo -69.16 164.05 35.44 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.366 2.044 . . . . 0.0 112.994 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.65 -28.58 17.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 123.268 1.509 . . . . 0.0 109.17 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.51 -10.15 59.75 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 110.665 -2.97 . . . . 0.0 109.378 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.59 22.07 1.67 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 111.742 -2.481 . . . . 0.0 112.172 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 99.2 mtt180 -129.44 105.84 17.48 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.133 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 4.5 Cg_endo -49.3 -25.37 9.82 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.753 2.969 . . . . 0.0 114.883 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.113 179.677 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 119.455 -0.307 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.48 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.5 Cg_exo -69.82 163.93 36.47 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.565 2.177 . . . . 0.0 112.896 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.83 17.36 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-O 123.318 1.532 . . . . 0.0 109.299 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.46 -9.66 59.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.58 28.87 0.73 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 111.878 -2.419 . . . . 0.0 112.183 -178.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 96.4 mtt180 -129.38 105.24 17.62 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.433 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.73 -27.45 33.92 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.487 2.791 . . . . 0.0 114.554 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.317 -0.837 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.913 179.817 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 119.717 -0.182 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.476 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.6 Cg_exo -71.62 163.78 37.85 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.446 2.097 . . . . 0.0 112.922 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.84 17.23 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.324 1.535 . . . . 0.0 109.345 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.47 -9.63 59.65 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.33 30.16 0.63 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 111.852 -2.431 . . . . 0.0 112.149 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.41 106.15 17.5 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.224 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.42 -27.39 31.4 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.521 2.814 . . . . 0.0 114.664 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.598 179.771 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 119.324 -0.369 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.7 Cg_exo -70.77 163.96 37.24 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.597 2.198 . . . . 0.0 112.849 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.53 -28.79 17.35 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.407 1.575 . . . . 0.0 109.37 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.93 29.68 0.71 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.798 -2.456 . . . . 0.0 112.221 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 30.1 mmt180 -129.36 105.33 17.65 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.316 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.463 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.63 -27.57 33.68 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.504 2.803 . . . . 0.0 114.679 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.82 179.777 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.3 Cg_exo -68.96 163.87 35.92 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.35 2.033 . . . . 0.0 112.986 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.43 -28.6 17.54 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 123.311 1.529 . . . . 0.0 109.274 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.67 -9.85 59.7 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 110.536 -3.029 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.16 31.33 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.831 -2.44 . . . . 0.0 112.082 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.455 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 96.3 mtt180 -129.43 106.14 17.47 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.257 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 8.7 Cg_endo -52.63 -27.49 33.37 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.592 2.862 . . . . 0.0 114.508 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.316 -0.87 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.734 179.636 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 119.252 -0.404 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.498 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 8.3 Cg_exo -68.06 164.07 33.4 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.411 2.074 . . . . 0.0 112.927 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.45 17.64 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.249 1.5 . . . . 0.0 109.235 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.6 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 110.556 -3.02 . . . . 0.0 109.3 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.52 25.16 1.08 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 111.738 -2.483 . . . . 0.0 112.21 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 99.0 mtt180 -129.47 105.78 17.44 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.123 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 5.0 Cg_endo -49.88 -25.37 11.91 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.728 2.952 . . . . 0.0 114.922 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.317 -0.822 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.763 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 309' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 309' ' ' LEU . 2.1 pp . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.477 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.2 Cg_exo -69.73 164.09 35.81 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.395 2.063 . . . . 0.0 112.682 179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.32 -28.93 17.42 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.327 1.537 . . . . 0.0 109.382 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -79.43 -9.99 59.71 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 110.585 -3.007 . . . . 0.0 109.445 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.83 36.86 0.68 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.064 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -129.26 104.79 17.87 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.461 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.62 -28.67 47.23 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.398 2.732 . . . . 0.0 114.44 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.317 -0.814 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.405 179.788 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 119.482 -0.294 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.499 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 8.9 Cg_exo -67.89 164.4 31.82 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.598 2.199 . . . . 0.0 112.938 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.3 -28.49 17.72 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 123.355 1.55 . . . . 0.0 109.207 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.6 -9.96 59.71 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.275 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 310' ' ' PRO . . . -86.22 29.7 0.73 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 111.654 -2.521 . . . . 0.0 111.855 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.29 105.58 17.73 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.187 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -47.79 -23.09 3.68 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.903 3.069 . . . . 0.0 115.113 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.317 -0.808 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.955 179.786 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.538 0.483 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 8.6 Cg_exo -67.67 164.12 32.48 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.46 2.107 . . . . 0.0 112.834 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.23 -28.62 17.69 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 123.363 1.554 . . . . 0.0 109.296 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.63 -10.03 59.73 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 110.591 -3.004 . . . . 0.0 109.24 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -86.27 26.8 0.99 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.803 -2.453 . . . . 0.0 112.128 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 82.1 mtm180 -129.25 105.31 17.82 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.363 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.72 -27.61 34.55 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.523 2.815 . . . . 0.0 114.641 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.777 179.753 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 119.466 -0.302 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.503 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 9.4 Cg_exo -67.88 164.19 32.61 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.473 2.116 . . . . 0.0 112.892 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.56 17.67 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.257 1.503 . . . . 0.0 109.215 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.48 59.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 110.623 -2.99 . . . . 0.0 109.308 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.44 16.99 3.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 111.668 -2.514 . . . . 0.0 112.261 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 99.0 mtt180 -129.26 102.65 18.55 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 10.1 Cg_endo -52.93 -28.5 39.72 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.39 2.726 . . . . 0.0 114.166 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.105 179.519 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 CA--C 1.541 0.62 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.484 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.8 Cg_exo -70.05 163.82 37.09 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.335 2.023 . . . . 0.0 112.86 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.75 -28.95 17.07 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 123.376 1.56 . . . . 0.0 109.34 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.66 -10.07 59.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.448 -3.069 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.84 11.13 11.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 111.862 -2.426 . . . . 0.0 112.196 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -129.65 106.35 17.12 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -50.88 -25.98 17.01 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 123.729 2.952 . . . . 0.0 114.891 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.318 -0.804 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.04 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 CA--C 1.537 0.451 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.6 Cg_exo -70.61 163.99 36.98 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.537 2.158 . . . . 0.0 112.954 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.71 -28.83 17.18 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 123.366 1.555 . . . . 0.0 109.265 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -79.51 -9.68 59.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 110.542 -3.026 . . . . 0.0 109.433 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.75 24.11 1.3 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 111.909 -2.405 . . . . 0.0 112.261 -178.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 75.8 mtm180 -129.54 106.41 17.29 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.22 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 8.4 Cg_endo -52.46 -27.38 31.69 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 123.586 2.857 . . . . 0.0 114.543 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.602 179.638 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.494 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 10.1 Cg_exo -67.26 164.28 31.06 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.401 2.067 . . . . 0.0 112.901 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.25 -28.79 17.57 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 123.348 1.547 . . . . 0.0 109.185 -176.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.59 -10.7 59.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 110.528 -3.033 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.14 3.27 39.83 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 111.753 -2.476 . . . . 0.0 112.245 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 82.6 mtm180 -129.8 102.8 17.64 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.952 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 3.7 Cg_endo -47.85 -24.97 5.51 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 123.783 2.989 . . . . 0.0 115.186 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.551 179.872 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.493 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.7 Cg_exo -68.04 164.02 33.58 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.53 2.154 . . . . 0.0 112.984 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.28 -28.77 17.56 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 123.363 1.554 . . . . 0.0 109.292 -176.328 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.6 -10.11 59.74 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 110.541 -3.027 . . . . 0.0 109.275 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.62 28.53 0.76 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 111.759 -2.473 . . . . 0.0 112.126 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.27 105.53 17.76 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.306 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.69 -27.74 34.83 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 123.518 2.812 . . . . 0.0 114.59 179.42 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.751 179.788 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 3.9 Cg_exo -71.7 163.79 37.79 Favored 'Trans proline' 0 C--N 1.375 1.974 0 C-N-CA 122.566 2.177 . . . . 0.0 112.917 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.66 -28.92 17.16 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.391 1.567 . . . . 0.0 109.336 -176.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.41 -9.49 59.61 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.327 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.74 28.5 0.77 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 111.911 -2.404 . . . . 0.0 112.227 -178.443 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -129.49 106.97 17.31 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.191 -179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -51.18 -26.21 19.24 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 123.753 2.969 . . . . 0.0 114.836 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.318 -0.802 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.751 179.695 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 119.416 -0.326 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 310' ' ' PRO . . . . . 0.478 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.3 Cg_exo -70.31 163.89 37.08 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.555 2.17 . . . . 0.0 113.041 179.788 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.78 17.43 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 123.384 1.564 . . . . 0.0 109.332 -176.438 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.53 -10.0 59.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 110.508 -3.042 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 313' ' ' ALA . . . . . 0.478 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.78 36.43 0.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 111.848 -2.433 . . . . 0.0 112.031 -178.475 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 314' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 68.9 mtm180 -129.48 106.72 17.34 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.106 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.4 Cg_endo -51.0 -26.24 18.1 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 123.689 2.926 . . . . 0.0 114.944 179.738 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.936 179.754 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.97 158.19 32.52 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 119.375 -0.345 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.6 -31.74 8.43 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.519 2.146 . . . . 0.0 113.069 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -95.78 143.47 26.99 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.371 0.419 . . . . 0.0 110.965 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . 62.34 123.11 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.965 0.906 . . . . 0.0 112.293 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -131.48 107.95 14.57 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.787 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.482 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.5 Cg_exo -69.26 164.14 35.18 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.528 2.152 . . . . 0.0 112.931 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.48 -28.68 17.46 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.298 1.523 . . . . 0.0 109.224 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.5 -10.1 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.89 26.54 0.97 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 111.781 -2.463 . . . . 0.0 112.028 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.45 106.82 17.38 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.079 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -52.19 -27.31 29.52 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 123.672 2.914 . . . . 0.0 114.654 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -82.62 -3.61 56.45 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -116.97 124.7 50.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.034 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.77 150.4 36.66 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.65 151.33 41.25 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.605 2.204 . . . . 0.0 112.675 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -70.88 119.95 6.7 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.609 2.206 . . . . 0.0 113.008 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 11.6 mt -127.32 147.58 50.25 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.56 120.4 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.205 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.133 -0.936 . . . . 0.0 110.817 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.404 -0.278 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -99.65 158.85 31.39 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-O 119.261 -0.4 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.92 -34.79 8.13 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.579 2.186 . . . . 0.0 113.202 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -98.5 107.6 20.09 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.371 0.419 . . . . 0.0 110.816 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -141.13 150.18 42.49 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.201 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -110.47 107.97 58.34 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.503 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.512 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -69.25 163.81 36.45 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.477 2.118 . . . . 0.0 113.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.62 -28.63 17.38 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 123.321 1.534 . . . . 0.0 109.189 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 -79.43 -10.36 59.79 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 110.547 -3.024 . . . . 0.0 109.25 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.86 28.99 0.65 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 111.699 -2.5 . . . . 0.0 112.027 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -129.21 105.21 17.89 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.249 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.53 -27.63 33.19 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 123.596 2.864 . . . . 0.0 114.555 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.09 -4.77 58.7 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.94 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -98.81 115.66 29.3 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.354 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -108.15 113.81 60.28 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.102 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -62.8 137.51 63.57 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.645 2.23 . . . . 0.0 113.082 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -72.01 124.02 9.75 Favored 'Trans proline' 0 C--N 1.371 1.735 0 C-N-CA 122.523 2.149 . . . . 0.0 113.149 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.4 tp -97.46 146.99 24.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.689 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.67 129.34 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.197 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.855 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -100.25 122.91 48.57 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 119.326 -0.368 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.6 141.48 80.04 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.67 2.247 . . . . 0.0 112.968 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 62.67 120.77 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.932 0.893 . . . . 0.0 111.928 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -128.3 149.24 50.58 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.307 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.3 mt -127.34 107.11 21.36 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.764 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.9 Cg_exo -68.77 163.97 35.15 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 122.495 2.13 . . . . 0.0 113.042 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.34 -28.57 17.64 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 123.349 1.547 . . . . 0.0 109.284 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.54 -10.03 59.72 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 110.586 -3.006 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.2 35.13 0.58 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.744 -2.48 . . . . 0.0 112.028 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 16.4 ttm180 -129.27 106.12 17.72 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.9 Cg_endo -52.03 -27.13 27.7 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.612 2.875 . . . . 0.0 114.628 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.62 -4.76 56.98 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.88 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -113.76 123.86 50.88 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.124 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -97.83 115.79 65.74 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.494 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.511 ' O ' HD12 ' A' ' 321' ' ' LEU . 29.5 Cg_exo -63.7 157.87 49.4 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.522 2.148 . . . . 0.0 113.003 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -77.88 109.85 2.8 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.748 2.299 . . . . 0.0 112.691 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 321' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 319' ' ' PRO . 4.8 mp -98.4 139.68 33.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.905 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.06 130.74 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.868 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.462 ' H ' ' CD ' ' A' ' 306' ' ' PRO . 80.6 m-85 -119.19 -44.66 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.257 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.462 ' CD ' ' H ' ' A' ' 305' ' ' PHE . 2.8 Cg_exo -77.27 149.43 27.98 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.362 2.041 . . . . 0.0 112.806 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.17 142.64 32.32 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.695 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -126.04 140.69 52.39 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.173 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -125.1 134.49 25.78 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.544 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.469 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.0 Cg_exo -71.25 163.67 38.34 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.301 2.0 . . . . 0.0 113.035 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.74 -28.87 17.14 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 123.391 1.567 . . . . 0.0 109.32 -176.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.35 -9.78 59.66 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.292 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.22 18.37 2.64 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 111.816 -2.447 . . . . 0.0 112.119 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.468 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 52.3 mtp180 -129.75 108.3 17.05 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 5.7 Cg_endo -50.5 -26.43 16.47 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 123.853 3.035 . . . . 0.0 114.868 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.68 11.07 13.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.459 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -131.14 140.73 50.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.715 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -88.14 150.58 47.61 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.346 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.411 ' O ' HD12 ' A' ' 321' ' ' LEU . 8.3 Cg_exo -72.26 134.45 22.93 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 122.525 2.15 . . . . 0.0 112.89 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.11 121.07 5.61 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.536 2.157 . . . . 0.0 113.168 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 321' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 319' ' ' PRO . 4.8 mp -121.89 144.33 48.91 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.767 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.6 m -137.95 119.67 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.528 ' H ' ' CD ' ' A' ' 306' ' ' PRO . 81.0 m-85 -127.24 -44.49 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.718 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.305 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.528 ' CD ' ' H ' ' A' ' 305' ' ' PHE . 3.5 Cg_exo -76.66 157.23 35.84 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.266 1.978 . . . . 0.0 112.771 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -128.39 143.26 50.97 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.717 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -111.76 -40.81 4.19 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.46 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.5 mp -97.75 125.96 42.63 Favored Pre-proline 0 CA--C 1.539 0.554 0 O-C-N 123.369 0.418 . . . . 0.0 110.835 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.516 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 10.8 Cg_exo -67.76 164.16 32.49 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.495 2.13 . . . . 0.0 112.939 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.14 -28.59 17.79 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-O 123.334 1.54 . . . . 0.0 109.238 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -79.64 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 110.594 -3.003 . . . . 0.0 109.132 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.31 15.02 3.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 111.787 -2.46 . . . . 0.0 112.521 -178.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.434 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 6.6 mpt_? -129.33 102.91 18.28 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.453 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 10.2 Cg_endo -52.55 -28.5 36.79 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 123.407 2.738 . . . . 0.0 114.361 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -88.67 -32.38 18.03 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.356 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 7.5 t80 62.6 122.49 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.059 0.944 . . . . 0.0 111.872 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -104.08 155.93 36.43 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.73 141.92 74.37 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.574 2.183 . . . . 0.0 112.958 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -71.25 121.39 7.75 Favored 'Trans proline' 0 C--N 1.371 1.755 0 C-N-CA 122.747 2.298 . . . . 0.0 113.087 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 4.9 tp -128.67 131.42 48.0 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.479 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.45 132.2 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.213 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.794 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -96.78 -44.55 0.25 Allowed Pre-proline 0 CA--C 1.544 0.725 0 CA-C-O 118.616 -0.707 . . . . 0.0 112.224 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.56 151.81 33.07 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.291 1.994 . . . . 0.0 112.712 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -128.4 136.37 50.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -99.35 -42.84 6.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.354 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.9 mp -125.72 154.98 73.2 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.827 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.2 Cg_exo -69.04 163.9 35.89 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.498 2.132 . . . . 0.0 112.878 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.45 -28.62 17.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.296 1.522 . . . . 0.0 109.285 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.23 59.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 110.549 -3.023 . . . . 0.0 109.292 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.1 22.36 1.45 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 111.689 -2.505 . . . . 0.0 112.155 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 94.7 mtt180 -129.5 106.89 17.3 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.17 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.6 Cg_endo -52.01 -27.16 27.64 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 123.718 2.946 . . . . 0.0 114.614 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.32 -7.76 59.53 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.674 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -105.76 119.74 39.92 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.116 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -109.45 141.98 24.71 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.325 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -74.69 160.77 40.59 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.417 2.078 . . . . 0.0 112.72 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.7 110.32 2.3 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.713 2.275 . . . . 0.0 112.661 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.53 142.33 31.15 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.938 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -114.96 118.8 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.174 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.486 1.328 0 C-N-CA 123.868 0.867 . . . . 0.0 112.012 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.523 ' H ' ' CD ' ' A' ' 306' ' ' PRO . 81.9 m-85 -126.68 -44.56 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.739 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.523 ' CD ' ' H ' ' A' ' 305' ' ' PHE . 2.9 Cg_exo -76.88 -34.82 2.14 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.363 2.042 . . . . 0.0 113.125 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -96.81 -40.07 9.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.386 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -97.2 130.82 44.39 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.351 0.407 . . . . 0.0 111.261 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 310' ' ' PRO . 2.7 tt -114.01 136.09 22.14 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -68.58 164.09 34.32 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.35 2.033 . . . . 0.0 113.098 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.7 17.44 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 123.352 1.548 . . . . 0.0 109.223 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.5 -10.12 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.533 -3.031 . . . . 0.0 109.218 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.4 38.1 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.911 -178.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 95.7 mtt180 -129.52 106.59 17.29 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.162 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.8 Cg_endo -51.42 -26.63 21.86 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.698 2.932 . . . . 0.0 114.67 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.39 -16.32 54.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.817 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -116.22 122.94 46.48 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.075 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -99.31 150.32 36.63 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.448 ' O ' HD12 ' A' ' 321' ' ' LEU . 6.1 Cg_exo -74.45 154.3 45.24 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.635 2.223 . . . . 0.0 112.569 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.76 121.59 7.49 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 122.525 2.15 . . . . 0.0 113.2 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 321' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 319' ' ' PRO . 4.9 mp -102.39 149.28 24.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.986 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.5 m -117.36 119.27 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.171 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.859 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -99.23 157.99 33.05 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-O 119.341 -0.362 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.43 152.99 44.54 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.564 2.176 . . . . 0.0 112.719 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -114.29 125.9 54.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.767 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -129.85 140.72 50.94 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.186 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.79 111.86 65.23 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.699 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.3 Cg_exo -69.16 164.05 35.44 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.366 2.044 . . . . 0.0 112.994 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.65 -28.58 17.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 123.268 1.509 . . . . 0.0 109.17 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.51 -10.15 59.75 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 110.665 -2.97 . . . . 0.0 109.378 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.59 22.07 1.67 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 111.742 -2.481 . . . . 0.0 112.172 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' A' ' 317' ' ' TYR . 99.2 mtt180 -129.44 105.84 17.48 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.133 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 4.5 Cg_endo -49.3 -25.37 9.82 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.753 2.969 . . . . 0.0 114.883 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -89.17 32.14 0.85 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.113 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 314' ' ' ARG . 22.5 t80 -91.15 113.31 25.54 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.738 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -118.41 154.39 52.14 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.73 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 13.7 Cg_exo -69.95 134.26 27.17 Favored 'Trans proline' 0 C--N 1.373 1.858 0 C-N-CA 122.501 2.134 . . . . 0.0 112.791 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 319' ' ' PRO . 2.8 Cg_exo -77.01 18.65 0.74 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.526 2.151 . . . . 0.0 113.515 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.3 mp -98.44 143.58 28.73 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 10.3 t 65.41 132.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 123.846 0.858 . . . . 0.0 111.105 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.878 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -102.16 -46.65 0.19 Allowed Pre-proline 0 CA--C 1.546 0.789 0 CA-C-O 118.733 -0.651 . . . . 0.0 111.795 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.57 156.61 32.11 Favored 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.327 2.018 . . . . 0.0 112.787 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -115.14 144.55 43.5 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -128.09 135.64 50.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -125.4 154.5 72.34 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.48 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.5 Cg_exo -69.82 163.93 36.47 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.565 2.177 . . . . 0.0 112.896 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.83 17.36 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-O 123.318 1.532 . . . . 0.0 109.299 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.46 -9.66 59.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.58 28.87 0.73 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 111.878 -2.419 . . . . 0.0 112.183 -178.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 96.4 mtt180 -129.38 105.24 17.62 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.433 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.73 -27.45 33.92 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.487 2.791 . . . . 0.0 114.554 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.66 -1.25 50.59 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.913 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -99.45 115.71 29.92 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.238 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -101.63 108.9 57.73 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.202 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.35 153.12 79.26 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.61 2.207 . . . . 0.0 112.905 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.11 121.82 7.17 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.549 2.166 . . . . 0.0 113.403 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.56 145.55 51.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.768 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.2 131.17 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.313 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.827 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -99.53 107.94 48.1 Favored Pre-proline 0 CA--C 1.542 0.672 0 O-C-N 123.618 0.246 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.35 157.31 62.34 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.6 2.2 . . . . 0.0 112.658 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -133.74 -41.53 0.85 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.797 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -97.44 -49.87 4.74 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.243 0.339 . . . . 0.0 111.888 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.7 mp -132.22 105.56 13.54 Favored Pre-proline 0 CA--C 1.542 0.655 0 O-C-N 123.209 0.318 . . . . 0.0 111.027 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.476 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.6 Cg_exo -71.62 163.78 37.85 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.446 2.097 . . . . 0.0 112.922 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.84 17.23 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.324 1.535 . . . . 0.0 109.345 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.47 -9.63 59.65 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.33 30.16 0.63 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 111.852 -2.431 . . . . 0.0 112.149 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.41 106.15 17.5 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.224 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.42 -27.39 31.4 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.521 2.814 . . . . 0.0 114.664 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -84.51 -7.67 59.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.598 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -102.78 118.43 36.83 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.207 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -127.23 107.07 21.58 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.475 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.45 159.79 52.28 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.486 2.124 . . . . 0.0 112.855 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.38 109.7 2.5 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.664 2.243 . . . . 0.0 112.591 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 12.8 mt -120.48 135.77 54.96 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.852 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.7 118.49 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.163 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--O 1.252 1.235 0 CA-C-O 118.444 -0.789 . . . . 0.0 110.568 179.862 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -113.1 115.53 47.84 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-O 119.534 -0.27 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.52 -34.8 63.33 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.617 2.212 . . . . 0.0 113.242 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -107.45 144.91 33.71 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.353 0.408 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -127.54 140.82 51.88 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.0 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -98.91 151.87 37.57 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.7 Cg_exo -70.77 163.96 37.24 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.597 2.198 . . . . 0.0 112.849 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.53 -28.79 17.35 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.407 1.575 . . . . 0.0 109.37 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.93 29.68 0.71 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.798 -2.456 . . . . 0.0 112.221 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 30.1 mmt180 -129.36 105.33 17.65 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.316 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.463 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.63 -27.57 33.68 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.504 2.803 . . . . 0.0 114.679 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.54 -4.69 57.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.82 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -98.83 116.0 30.08 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.202 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -121.37 118.76 29.77 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.602 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.74 140.48 74.46 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.567 2.178 . . . . 0.0 112.958 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.27 168.78 23.87 Favored 'Trans proline' 0 C--N 1.371 1.739 0 C-N-CA 122.56 2.174 . . . . 0.0 113.117 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 11.8 mt 62.2 122.64 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.039 0.936 . . . . 0.0 112.13 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.51 120.52 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.209 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.538 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -122.6 158.23 57.11 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-O 119.337 -0.363 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.7 157.17 48.49 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.558 2.172 . . . . 0.0 112.785 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -124.64 -42.77 2.05 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.281 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -102.89 128.25 49.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.188 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 2.5 tt -130.48 131.9 23.65 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.3 Cg_exo -68.96 163.87 35.92 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.35 2.033 . . . . 0.0 112.986 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.43 -28.6 17.54 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 123.311 1.529 . . . . 0.0 109.274 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.67 -9.85 59.7 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 110.536 -3.029 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.16 31.33 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.831 -2.44 . . . . 0.0 112.082 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.455 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 96.3 mtt180 -129.43 106.14 17.47 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.257 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 8.7 Cg_endo -52.63 -27.49 33.37 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.592 2.862 . . . . 0.0 114.508 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -84.28 -4.07 58.62 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.734 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -109.59 122.63 47.86 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.115 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -97.99 142.41 24.53 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.502 ' O ' HD12 ' A' ' 321' ' ' LEU . 15.2 Cg_exo -69.86 134.35 27.56 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.423 2.082 . . . . 0.0 112.698 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 319' ' ' PRO . 5.8 Cg_exo -78.19 109.46 2.69 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 122.548 2.166 . . . . 0.0 112.697 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 321' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 319' ' ' PRO . 4.9 mp -97.37 145.14 26.44 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.838 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.24 133.95 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.241 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.855 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -128.32 157.89 73.12 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-O 119.303 -0.379 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.61 148.22 36.9 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.595 2.197 . . . . 0.0 112.702 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -129.32 144.8 51.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -102.27 -42.73 5.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.373 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 11.7 mt -113.06 123.21 34.04 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 123.396 0.435 . . . . 0.0 110.758 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.498 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 8.3 Cg_exo -68.06 164.07 33.4 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.411 2.074 . . . . 0.0 112.927 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.45 17.64 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.249 1.5 . . . . 0.0 109.235 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.6 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 110.556 -3.02 . . . . 0.0 109.3 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.52 25.16 1.08 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 111.738 -2.483 . . . . 0.0 112.21 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 99.0 mtt180 -129.47 105.78 17.44 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.123 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 5.0 Cg_endo -49.88 -25.37 11.91 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.728 2.952 . . . . 0.0 114.922 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.38 26.98 1.32 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.763 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -98.21 115.59 28.66 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.474 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -107.51 145.01 30.4 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 56.4 Cg_endo -72.92 134.37 21.5 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.462 2.108 . . . . 0.0 113.116 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 319' ' ' PRO . 9.8 Cg_exo -71.7 109.62 2.69 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.574 2.183 . . . . 0.0 112.525 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 12.4 mt -113.34 137.14 51.94 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.969 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.63 122.94 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.507 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.08 111.67 61.37 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 123.619 0.246 . . . . 0.0 110.796 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.62 136.16 44.99 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.578 2.186 . . . . 0.0 113.057 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -130.54 144.5 51.46 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.496 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -100.28 -58.12 1.98 Allowed 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.58 0.55 . . . . 0.0 111.4 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 309' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 309' ' ' LEU . 2.1 pp -148.0 129.35 7.22 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.073 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.477 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.2 Cg_exo -69.73 164.09 35.81 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.395 2.063 . . . . 0.0 112.682 179.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.32 -28.93 17.42 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.327 1.537 . . . . 0.0 109.382 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -79.43 -9.99 59.71 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 110.585 -3.007 . . . . 0.0 109.445 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.83 36.86 0.68 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.064 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -129.26 104.79 17.87 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.461 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.62 -28.67 47.23 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.398 2.732 . . . . 0.0 114.44 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -84.4 -2.4 57.1 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.405 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -104.95 120.0 40.39 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.096 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -96.22 153.32 39.08 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.992 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.48 158.6 53.57 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.531 2.154 . . . . 0.0 112.757 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.08 109.58 2.73 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.692 2.262 . . . . 0.0 112.511 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 14.7 mt -99.07 126.74 44.87 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.058 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.6 m -141.32 135.11 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.274 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.819 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 58.73 106.75 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 123.883 0.873 . . . . 0.0 112.012 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.23 157.95 47.05 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.648 2.232 . . . . 0.0 113.08 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.78 146.52 25.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -123.6 149.08 45.77 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.277 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -123.0 155.42 64.06 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.994 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.499 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 8.9 Cg_exo -67.89 164.4 31.82 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.598 2.199 . . . . 0.0 112.938 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.3 -28.49 17.72 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 123.355 1.55 . . . . 0.0 109.207 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.6 -9.96 59.71 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.275 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 310' ' ' PRO . . . -86.22 29.7 0.73 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 111.654 -2.521 . . . . 0.0 111.855 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.29 105.58 17.73 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.187 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -47.79 -23.09 3.68 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.903 3.069 . . . . 0.0 115.113 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -84.16 17.55 2.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.955 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -93.13 112.9 25.0 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.424 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -102.42 143.09 25.91 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.18 161.95 31.87 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.563 2.175 . . . . 0.0 112.742 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.25 112.68 2.62 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.636 2.224 . . . . 0.0 112.69 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 2.5 pp -95.95 141.86 28.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.202 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.47 136.04 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.885 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.78 158.06 32.78 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 119.303 -0.379 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.09 -35.33 4.22 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.487 2.125 . . . . 0.0 113.024 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -120.52 147.95 44.48 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.352 0.407 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -99.57 147.94 24.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.52 155.73 74.12 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 8.6 Cg_exo -67.67 164.12 32.48 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.46 2.107 . . . . 0.0 112.834 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.23 -28.62 17.69 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 123.363 1.554 . . . . 0.0 109.296 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.63 -10.03 59.73 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 110.591 -3.004 . . . . 0.0 109.24 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -86.27 26.8 0.99 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.803 -2.453 . . . . 0.0 112.128 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 82.1 mtm180 -129.25 105.31 17.82 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.363 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.72 -27.61 34.55 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.523 2.815 . . . . 0.0 114.641 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.28 -1.99 54.55 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.777 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -99.76 116.72 32.5 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.224 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -124.72 154.54 70.37 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.846 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.8 157.98 59.67 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.529 2.153 . . . . 0.0 112.829 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -72.63 107.96 2.43 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.721 2.281 . . . . 0.0 112.647 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.7 mp 62.95 127.06 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.026 0.931 . . . . 0.0 112.165 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.23 120.05 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.248 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.89 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -127.22 143.31 46.64 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-O 119.137 -0.459 . . . . 0.0 110.411 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.16 -35.52 63.66 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 122.484 2.123 . . . . 0.0 113.398 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.63 136.37 38.8 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -126.3 149.98 48.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.185 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.4 117.46 64.71 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.503 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 9.4 Cg_exo -67.88 164.19 32.61 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.473 2.116 . . . . 0.0 112.892 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.56 17.67 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.257 1.503 . . . . 0.0 109.215 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.48 59.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 110.623 -2.99 . . . . 0.0 109.308 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.44 16.99 3.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 111.668 -2.514 . . . . 0.0 112.261 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 99.0 mtt180 -129.26 102.65 18.55 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 10.1 Cg_endo -52.93 -28.5 39.72 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.39 2.726 . . . . 0.0 114.166 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -92.95 -32.36 14.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.105 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 7.5 t80 60.96 114.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.119 0.968 . . . . 0.0 111.875 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -134.16 111.41 11.96 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.296 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 25.5 Cg_exo -64.42 134.14 40.41 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.548 2.165 . . . . 0.0 112.905 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 319' ' ' PRO . 13.7 Cg_exo -69.56 109.96 2.4 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 122.501 2.134 . . . . 0.0 112.672 179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.21 124.94 50.39 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.986 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.9 m -140.03 120.33 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.316 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.161 -0.924 . . . . 0.0 110.857 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 305' ' ' PHE . . . . . 0.522 ' H ' ' CD ' ' A' ' 306' ' ' PRO . 80.4 m-85 -127.45 -44.46 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.718 0 CA-C-O 118.763 -0.637 . . . . 0.0 112.372 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 306' ' ' PRO . . . . . 0.522 ' CD ' ' H ' ' A' ' 305' ' ' PHE . 3.2 Cg_exo -76.87 145.77 25.58 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.294 1.996 . . . . 0.0 112.961 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -127.47 157.74 39.25 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.654 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -92.42 96.6 10.34 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.14 0.495 . . . . 0.0 111.876 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.5 mp -144.41 110.03 4.94 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.388 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.484 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.8 Cg_exo -70.05 163.82 37.09 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.335 2.023 . . . . 0.0 112.86 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.75 -28.95 17.07 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 123.376 1.56 . . . . 0.0 109.34 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.66 -10.07 59.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.448 -3.069 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.84 11.13 11.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 111.862 -2.426 . . . . 0.0 112.196 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -129.65 106.35 17.12 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -50.88 -25.98 17.01 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 123.729 2.952 . . . . 0.0 114.891 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.44 1.8 31.55 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.04 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -100.07 117.58 34.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -109.77 150.12 40.88 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.878 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.95 152.87 79.58 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.647 2.231 . . . . 0.0 113.132 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.05 167.86 25.57 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 122.669 2.246 . . . . 0.0 113.16 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.78 149.59 50.66 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 4.0 m -110.47 117.32 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.228 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.495 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.29 157.99 33.04 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.316 -0.373 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.3 140.56 27.72 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.541 2.161 . . . . 0.0 112.721 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -127.9 130.12 47.99 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.768 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -126.95 135.76 51.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 13.5 mt -126.55 153.58 75.28 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.6 Cg_exo -70.61 163.99 36.98 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.537 2.158 . . . . 0.0 112.954 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.71 -28.83 17.18 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 123.366 1.555 . . . . 0.0 109.265 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -79.51 -9.68 59.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 110.542 -3.026 . . . . 0.0 109.433 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.75 24.11 1.3 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 111.909 -2.405 . . . . 0.0 112.261 -178.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 75.8 mtm180 -129.54 106.41 17.29 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.22 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 8.4 Cg_endo -52.46 -27.38 31.69 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 123.586 2.857 . . . . 0.0 114.543 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.69 4.04 34.47 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.602 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -109.1 122.81 48.07 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.072 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -93.89 111.43 52.86 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.38 146.98 86.91 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.626 2.217 . . . . 0.0 112.988 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.72 169.02 22.98 Favored 'Trans proline' 0 C--N 1.37 1.683 0 C-N-CA 122.703 2.268 . . . . 0.0 113.137 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.8 mp -101.81 151.26 22.28 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 11.2 p -131.81 131.39 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.486 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -100.46 158.37 32.06 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-O 119.318 -0.372 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.84 143.56 33.47 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.636 2.224 . . . . 0.0 112.718 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.03 137.04 51.07 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.614 0.571 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -99.16 -41.9 7.3 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.333 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.1 123.37 22.58 Favored Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 123.345 0.403 . . . . 0.0 110.743 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.494 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 10.1 Cg_exo -67.26 164.28 31.06 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.401 2.067 . . . . 0.0 112.901 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.25 -28.79 17.57 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 123.348 1.547 . . . . 0.0 109.185 -176.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.59 -10.7 59.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 110.528 -3.033 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.14 3.27 39.83 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 111.753 -2.476 . . . . 0.0 112.245 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 82.6 mtm180 -129.8 102.8 17.64 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.952 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 3.7 Cg_endo -47.85 -24.97 5.51 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 123.783 2.989 . . . . 0.0 115.186 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.88 32.46 0.74 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.551 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 317' ' ' TYR . . . . . 0.404 ' HD2' ' O ' ' A' ' 314' ' ' ARG . 27.1 p90 -88.6 124.7 34.31 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -84.65 155.58 62.03 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.053 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.33 134.23 41.08 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.549 2.166 . . . . 0.0 112.909 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.63 109.72 2.91 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.665 2.244 . . . . 0.0 112.89 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.3 130.45 42.79 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.912 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.87 124.94 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.267 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.77 -179.886 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.113 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.64 158.17 32.62 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.78 -32.07 7.78 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.529 2.152 . . . . 0.0 113.122 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -96.55 142.23 28.87 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.374 0.421 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -125.39 -43.93 1.89 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.286 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.1 155.41 40.99 Favored Pre-proline 0 CA--C 1.539 0.548 0 O-C-N 123.389 0.43 . . . . 0.0 110.838 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.493 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.7 Cg_exo -68.04 164.02 33.58 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.53 2.154 . . . . 0.0 112.984 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.28 -28.77 17.56 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 123.363 1.554 . . . . 0.0 109.292 -176.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.6 -10.11 59.74 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 110.541 -3.027 . . . . 0.0 109.275 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.62 28.53 0.76 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 111.759 -2.473 . . . . 0.0 112.126 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.27 105.53 17.76 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.306 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.69 -27.74 34.83 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 123.518 2.812 . . . . 0.0 114.59 179.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -85.09 -5.81 59.33 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.751 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -100.22 116.97 33.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.367 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -109.65 109.08 59.82 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.72 134.29 37.29 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.557 2.171 . . . . 0.0 112.84 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.52 111.57 2.59 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.546 2.164 . . . . 0.0 112.666 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 11.7 mt -99.63 128.46 45.74 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.884 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.05 135.97 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.286 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.879 179.947 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.68 157.8 33.28 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.28 -23.73 17.46 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.578 2.185 . . . . 0.0 113.194 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.79 -12.84 30.18 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.373 0.421 . . . . 0.0 111.876 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -93.15 -41.18 10.07 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.22 0.325 . . . . 0.0 111.668 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.16 150.78 37.19 Favored Pre-proline 0 CA--C 1.537 0.473 0 O-C-N 123.334 0.396 . . . . 0.0 110.925 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 3.9 Cg_exo -71.7 163.79 37.79 Favored 'Trans proline' 0 C--N 1.375 1.974 0 C-N-CA 122.566 2.177 . . . . 0.0 112.917 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.66 -28.92 17.16 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.391 1.567 . . . . 0.0 109.336 -176.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.41 -9.49 59.61 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.327 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.74 28.5 0.77 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 111.911 -2.404 . . . . 0.0 112.227 -178.443 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -129.49 106.97 17.31 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.191 -179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -51.18 -26.21 19.24 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 123.753 2.969 . . . . 0.0 114.836 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.51 -4.47 51.48 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.751 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -120.77 128.1 52.59 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.032 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -93.3 150.27 38.76 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -74.81 161.19 39.65 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.63 2.22 . . . . 0.0 112.82 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.91 109.82 2.43 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 122.655 2.236 . . . . 0.0 112.492 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.7 mp 63.93 147.81 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.022 0.929 . . . . 0.0 112.402 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.45 121.95 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.324 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.848 179.979 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -102.47 157.98 32.66 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-O 119.356 -0.354 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.37 136.36 21.7 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.477 2.118 . . . . 0.0 112.839 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -102.23 -42.8 5.91 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.241 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -119.94 142.82 48.39 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.066 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -99.02 153.15 37.93 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 310' ' ' PRO . . . . . 0.478 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.3 Cg_exo -70.31 163.89 37.08 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.555 2.17 . . . . 0.0 113.041 179.788 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.78 17.43 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 123.384 1.564 . . . . 0.0 109.332 -176.438 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.53 -10.0 59.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 110.508 -3.042 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.478 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.78 36.43 0.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 111.848 -2.433 . . . . 0.0 112.031 -178.475 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 314' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 68.9 mtm180 -129.48 106.72 17.34 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.106 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.4 Cg_endo -51.0 -26.24 18.1 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 123.689 2.926 . . . . 0.0 114.944 179.738 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -81.39 -14.66 56.93 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.936 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -119.64 124.96 47.58 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.51 0.506 . . . . 0.0 110.126 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -99.43 146.73 32.27 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.854 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.473 ' O ' HD12 ' A' ' 321' ' ' LEU . 2.8 Cg_exo -76.35 158.72 36.8 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.549 2.166 . . . . 0.0 112.735 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.86 112.76 3.64 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.646 2.23 . . . . 0.0 112.453 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 321' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 319' ' ' PRO . 5.1 mp -92.14 129.25 38.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.022 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.33 133.93 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.244 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.917 179.902 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 119.663 -0.208 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.482 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.5 Cg_exo -69.26 164.14 35.18 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.528 2.152 . . . . 0.0 112.931 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.48 -28.68 17.46 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.298 1.523 . . . . 0.0 109.224 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.5 -10.1 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.89 26.54 0.97 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 111.781 -2.463 . . . . 0.0 112.028 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.45 106.82 17.38 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.079 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -52.19 -27.31 29.52 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 123.672 2.914 . . . . 0.0 114.654 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 179.719 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.543 0.674 0 CA-C-O 119.588 -0.244 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.512 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -69.25 163.81 36.45 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.477 2.118 . . . . 0.0 113.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.62 -28.63 17.38 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 123.321 1.534 . . . . 0.0 109.189 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 -79.43 -10.36 59.79 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 110.547 -3.024 . . . . 0.0 109.25 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.86 28.99 0.65 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 111.699 -2.5 . . . . 0.0 112.027 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -129.21 105.21 17.89 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.249 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.53 -27.63 33.19 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 123.596 2.864 . . . . 0.0 114.555 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.315 -0.911 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.94 179.805 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 119.747 -0.168 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.9 Cg_exo -68.77 163.97 35.15 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 122.495 2.13 . . . . 0.0 113.042 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.34 -28.57 17.64 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 123.349 1.547 . . . . 0.0 109.284 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.54 -10.03 59.72 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 110.586 -3.006 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.2 35.13 0.58 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.744 -2.48 . . . . 0.0 112.028 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 16.4 ttm180 -129.27 106.12 17.72 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.9 Cg_endo -52.03 -27.13 27.7 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.612 2.875 . . . . 0.0 114.628 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--N 1.317 -0.838 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.88 179.704 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.536 0.426 0 CA-C-O 119.103 -0.475 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.469 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.0 Cg_exo -71.25 163.67 38.34 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.301 2.0 . . . . 0.0 113.035 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.74 -28.87 17.14 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 123.391 1.567 . . . . 0.0 109.32 -176.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.35 -9.78 59.66 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.292 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.22 18.37 2.64 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 111.816 -2.447 . . . . 0.0 112.119 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.468 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 52.3 mtp180 -129.75 108.3 17.05 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 5.7 Cg_endo -50.5 -26.43 16.47 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 123.853 3.035 . . . . 0.0 114.868 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.459 179.548 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 119.303 -0.38 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.516 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 10.8 Cg_exo -67.76 164.16 32.49 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.495 2.13 . . . . 0.0 112.939 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.14 -28.59 17.79 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-O 123.334 1.54 . . . . 0.0 109.238 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -79.64 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 110.594 -3.003 . . . . 0.0 109.132 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.31 15.02 3.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 111.787 -2.46 . . . . 0.0 112.521 -178.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.434 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 6.6 mpt_? -129.33 102.91 18.28 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.453 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 10.2 Cg_endo -52.55 -28.5 36.79 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 123.407 2.738 . . . . 0.0 114.361 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.356 179.685 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 119.408 -0.33 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.2 Cg_exo -69.04 163.9 35.89 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.498 2.132 . . . . 0.0 112.878 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.45 -28.62 17.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.296 1.522 . . . . 0.0 109.285 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.23 59.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 110.549 -3.023 . . . . 0.0 109.292 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.1 22.36 1.45 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 111.689 -2.505 . . . . 0.0 112.155 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 94.7 mtt180 -129.5 106.89 17.3 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.17 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.6 Cg_endo -52.01 -27.16 27.64 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 123.718 2.946 . . . . 0.0 114.614 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.674 179.735 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 310' ' ' PRO . 2.7 tt . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 119.163 -0.446 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -68.58 164.09 34.32 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.35 2.033 . . . . 0.0 113.098 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.7 17.44 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 123.352 1.548 . . . . 0.0 109.223 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.5 -10.12 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.533 -3.031 . . . . 0.0 109.218 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.4 38.1 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.911 -178.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 95.7 mtt180 -129.52 106.59 17.29 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.162 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.8 Cg_endo -51.42 -26.63 21.86 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.698 2.932 . . . . 0.0 114.67 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--N 1.317 -0.83 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.817 179.726 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 119.565 -0.255 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.3 Cg_exo -69.16 164.05 35.44 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.366 2.044 . . . . 0.0 112.994 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.65 -28.58 17.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 123.268 1.509 . . . . 0.0 109.17 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.51 -10.15 59.75 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 110.665 -2.97 . . . . 0.0 109.378 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.59 22.07 1.67 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 111.742 -2.481 . . . . 0.0 112.172 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 99.2 mtt180 -129.44 105.84 17.48 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.133 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 4.5 Cg_endo -49.3 -25.37 9.82 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.753 2.969 . . . . 0.0 114.883 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.113 179.677 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 119.455 -0.307 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.48 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.5 Cg_exo -69.82 163.93 36.47 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.565 2.177 . . . . 0.0 112.896 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.83 17.36 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-O 123.318 1.532 . . . . 0.0 109.299 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.46 -9.66 59.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.58 28.87 0.73 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 111.878 -2.419 . . . . 0.0 112.183 -178.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 96.4 mtt180 -129.38 105.24 17.62 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.433 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.73 -27.45 33.92 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.487 2.791 . . . . 0.0 114.554 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.317 -0.837 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.913 179.817 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 119.717 -0.182 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.476 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.6 Cg_exo -71.62 163.78 37.85 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.446 2.097 . . . . 0.0 112.922 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.84 17.23 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.324 1.535 . . . . 0.0 109.345 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.47 -9.63 59.65 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.33 30.16 0.63 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 111.852 -2.431 . . . . 0.0 112.149 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.41 106.15 17.5 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.224 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.42 -27.39 31.4 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.521 2.814 . . . . 0.0 114.664 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.598 179.771 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.537 0.478 0 CA-C-O 119.324 -0.369 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.7 Cg_exo -70.77 163.96 37.24 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.597 2.198 . . . . 0.0 112.849 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.53 -28.79 17.35 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.407 1.575 . . . . 0.0 109.37 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.93 29.68 0.71 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.798 -2.456 . . . . 0.0 112.221 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 30.1 mmt180 -129.36 105.33 17.65 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.316 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.463 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.63 -27.57 33.68 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.504 2.803 . . . . 0.0 114.679 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.82 179.777 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.3 Cg_exo -68.96 163.87 35.92 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.35 2.033 . . . . 0.0 112.986 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.43 -28.6 17.54 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 123.311 1.529 . . . . 0.0 109.274 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.67 -9.85 59.7 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 110.536 -3.029 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.16 31.33 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.831 -2.44 . . . . 0.0 112.082 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.455 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 96.3 mtt180 -129.43 106.14 17.47 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.257 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 8.7 Cg_endo -52.63 -27.49 33.37 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.592 2.862 . . . . 0.0 114.508 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.316 -0.87 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.734 179.636 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 119.252 -0.404 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.498 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 8.3 Cg_exo -68.06 164.07 33.4 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.411 2.074 . . . . 0.0 112.927 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.45 17.64 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.249 1.5 . . . . 0.0 109.235 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.6 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 110.556 -3.02 . . . . 0.0 109.3 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.52 25.16 1.08 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 111.738 -2.483 . . . . 0.0 112.21 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 99.0 mtt180 -129.47 105.78 17.44 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.123 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 5.0 Cg_endo -49.88 -25.37 11.91 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.728 2.952 . . . . 0.0 114.922 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.317 -0.822 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.763 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 309' ' ' LEU . 2.1 pp . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.477 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.2 Cg_exo -69.73 164.09 35.81 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.395 2.063 . . . . 0.0 112.682 179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.32 -28.93 17.42 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.327 1.537 . . . . 0.0 109.382 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -79.43 -9.99 59.71 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 110.585 -3.007 . . . . 0.0 109.445 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.83 36.86 0.68 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.064 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -129.26 104.79 17.87 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.461 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.62 -28.67 47.23 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.398 2.732 . . . . 0.0 114.44 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.317 -0.814 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.405 179.788 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 119.482 -0.294 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.499 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 8.9 Cg_exo -67.89 164.4 31.82 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.598 2.199 . . . . 0.0 112.938 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.3 -28.49 17.72 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 123.355 1.55 . . . . 0.0 109.207 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.6 -9.96 59.71 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.275 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 310' ' ' PRO . . . -86.22 29.7 0.73 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 111.654 -2.521 . . . . 0.0 111.855 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.29 105.58 17.73 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.187 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -47.79 -23.09 3.68 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.903 3.069 . . . . 0.0 115.113 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.317 -0.808 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.955 179.786 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.538 0.483 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 8.6 Cg_exo -67.67 164.12 32.48 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.46 2.107 . . . . 0.0 112.834 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.23 -28.62 17.69 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 123.363 1.554 . . . . 0.0 109.296 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.63 -10.03 59.73 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 110.591 -3.004 . . . . 0.0 109.24 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -86.27 26.8 0.99 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.803 -2.453 . . . . 0.0 112.128 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 82.1 mtm180 -129.25 105.31 17.82 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.363 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.72 -27.61 34.55 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.523 2.815 . . . . 0.0 114.641 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.777 179.753 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 119.466 -0.302 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.503 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 9.4 Cg_exo -67.88 164.19 32.61 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.473 2.116 . . . . 0.0 112.892 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.56 17.67 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.257 1.503 . . . . 0.0 109.215 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.48 59.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 110.623 -2.99 . . . . 0.0 109.308 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.44 16.99 3.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 111.668 -2.514 . . . . 0.0 112.261 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 99.0 mtt180 -129.26 102.65 18.55 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 10.1 Cg_endo -52.93 -28.5 39.72 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.39 2.726 . . . . 0.0 114.166 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.105 179.519 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 CA--C 1.541 0.62 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.484 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.8 Cg_exo -70.05 163.82 37.09 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.335 2.023 . . . . 0.0 112.86 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.75 -28.95 17.07 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 123.376 1.56 . . . . 0.0 109.34 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.66 -10.07 59.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.448 -3.069 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.84 11.13 11.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 111.862 -2.426 . . . . 0.0 112.196 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -129.65 106.35 17.12 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -50.88 -25.98 17.01 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 123.729 2.952 . . . . 0.0 114.891 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.318 -0.804 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.04 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 CA--C 1.537 0.451 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.6 Cg_exo -70.61 163.99 36.98 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.537 2.158 . . . . 0.0 112.954 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.71 -28.83 17.18 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 123.366 1.555 . . . . 0.0 109.265 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -79.51 -9.68 59.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 110.542 -3.026 . . . . 0.0 109.433 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.75 24.11 1.3 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 111.909 -2.405 . . . . 0.0 112.261 -178.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 75.8 mtm180 -129.54 106.41 17.29 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.22 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 8.4 Cg_endo -52.46 -27.38 31.69 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 123.586 2.857 . . . . 0.0 114.543 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.318 -0.798 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.602 179.638 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.541 0.597 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.494 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 10.1 Cg_exo -67.26 164.28 31.06 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.401 2.067 . . . . 0.0 112.901 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.25 -28.79 17.57 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 123.348 1.547 . . . . 0.0 109.185 -176.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.59 -10.7 59.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 110.528 -3.033 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.14 3.27 39.83 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 111.753 -2.476 . . . . 0.0 112.245 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 82.6 mtm180 -129.8 102.8 17.64 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.952 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 3.7 Cg_endo -47.85 -24.97 5.51 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 123.783 2.989 . . . . 0.0 115.186 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.551 179.872 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.493 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.7 Cg_exo -68.04 164.02 33.58 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.53 2.154 . . . . 0.0 112.984 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.28 -28.77 17.56 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 123.363 1.554 . . . . 0.0 109.292 -176.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.6 -10.11 59.74 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 110.541 -3.027 . . . . 0.0 109.275 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.62 28.53 0.76 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 111.759 -2.473 . . . . 0.0 112.126 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.27 105.53 17.76 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.306 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.69 -27.74 34.83 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 123.518 2.812 . . . . 0.0 114.59 179.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--N 1.317 -0.812 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.751 179.788 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 3.9 Cg_exo -71.7 163.79 37.79 Favored 'Trans proline' 0 C--N 1.375 1.974 0 C-N-CA 122.566 2.177 . . . . 0.0 112.917 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.66 -28.92 17.16 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.391 1.567 . . . . 0.0 109.336 -176.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.41 -9.49 59.61 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.327 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.74 28.5 0.77 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 111.911 -2.404 . . . . 0.0 112.227 -178.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -129.49 106.97 17.31 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.191 -179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -51.18 -26.21 19.24 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 123.753 2.969 . . . . 0.0 114.836 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.318 -0.802 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.751 179.695 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 119.416 -0.326 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 310' ' ' PRO . . . . . 0.478 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.3 Cg_exo -70.31 163.89 37.08 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.555 2.17 . . . . 0.0 113.041 179.788 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.78 17.43 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 123.384 1.564 . . . . 0.0 109.332 -176.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.53 -10.0 59.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 110.508 -3.042 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . 0.478 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.78 36.43 0.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 111.848 -2.433 . . . . 0.0 112.031 -178.475 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 314' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 68.9 mtm180 -129.48 106.72 17.34 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.106 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.4 Cg_endo -51.0 -26.24 18.1 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 123.689 2.926 . . . . 0.0 114.944 179.738 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.936 179.754 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.97 158.19 32.52 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-O 119.375 -0.345 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.6 -31.74 8.43 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.519 2.146 . . . . 0.0 113.069 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -95.78 143.47 26.99 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.371 0.419 . . . . 0.0 110.965 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . 62.34 123.11 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.965 0.906 . . . . 0.0 112.293 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -131.48 107.95 14.57 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.787 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.482 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.5 Cg_exo -69.26 164.14 35.18 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.528 2.152 . . . . 0.0 112.931 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.48 -28.68 17.46 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.298 1.523 . . . . 0.0 109.224 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.5 -10.1 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.261 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.89 26.54 0.97 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 111.781 -2.463 . . . . 0.0 112.028 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.45 106.82 17.38 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.079 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -52.19 -27.31 29.52 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 123.672 2.914 . . . . 0.0 114.654 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -82.62 -3.61 56.45 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -116.97 124.7 50.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.034 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -98.77 150.4 36.66 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.65 151.33 41.25 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.605 2.204 . . . . 0.0 112.675 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -70.88 119.95 6.7 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.609 2.206 . . . . 0.0 113.008 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 11.6 mt -127.32 147.58 50.25 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.56 120.4 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.205 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.133 -0.936 . . . . 0.0 110.817 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.404 -0.278 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -99.65 158.85 31.39 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-O 119.261 -0.4 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.92 -34.79 8.13 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.579 2.186 . . . . 0.0 113.202 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -98.5 107.6 20.09 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.371 0.419 . . . . 0.0 110.816 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -141.13 150.18 42.49 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.201 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -110.47 107.97 58.34 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.503 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.512 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -69.25 163.81 36.45 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.477 2.118 . . . . 0.0 113.124 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.62 -28.63 17.38 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 123.321 1.534 . . . . 0.0 109.189 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 -79.43 -10.36 59.79 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 110.547 -3.024 . . . . 0.0 109.25 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.86 28.99 0.65 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 111.699 -2.5 . . . . 0.0 112.027 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -129.21 105.21 17.89 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.249 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.53 -27.63 33.19 Favored 'Trans proline' 0 C--N 1.373 1.818 0 C-N-CA 123.596 2.864 . . . . 0.0 114.555 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.09 -4.77 58.7 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.94 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -98.81 115.66 29.3 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.354 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -108.15 113.81 60.28 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.102 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -62.8 137.51 63.57 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.645 2.23 . . . . 0.0 113.082 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -72.01 124.02 9.75 Favored 'Trans proline' 0 C--N 1.371 1.735 0 C-N-CA 122.523 2.149 . . . . 0.0 113.149 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.4 tp -97.46 146.99 24.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.689 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.67 129.34 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.197 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.855 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -100.25 122.91 48.57 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-O 119.326 -0.368 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.6 141.48 80.04 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.67 2.247 . . . . 0.0 112.968 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 62.67 120.77 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.932 0.893 . . . . 0.0 111.928 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -128.3 149.24 50.58 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.307 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.3 mt -127.34 107.11 21.36 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.764 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.9 Cg_exo -68.77 163.97 35.15 Favored 'Trans proline' 0 C--N 1.376 1.982 0 C-N-CA 122.495 2.13 . . . . 0.0 113.042 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.34 -28.57 17.64 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 123.349 1.547 . . . . 0.0 109.284 -176.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.54 -10.03 59.72 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 110.586 -3.006 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.2 35.13 0.58 Allowed 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.744 -2.48 . . . . 0.0 112.028 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 16.4 ttm180 -129.27 106.12 17.72 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.9 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.9 Cg_endo -52.03 -27.13 27.7 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 123.612 2.875 . . . . 0.0 114.628 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -81.62 -4.76 56.98 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.88 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -113.76 123.86 50.88 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.124 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -97.83 115.79 65.74 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.494 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.511 ' O ' HD12 ' A' ' 321' ' ' LEU . 29.5 Cg_exo -63.7 157.87 49.4 Favored 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.522 2.148 . . . . 0.0 113.003 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -77.88 109.85 2.8 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.748 2.299 . . . . 0.0 112.691 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 319' ' ' PRO . 4.8 mp -98.4 139.68 33.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.905 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.06 130.74 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.302 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.868 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.462 ' H ' ' CD ' ' A' ' 306' ' ' PRO . 80.6 m-85 -119.19 -44.66 0.05 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 CA-C-O 118.607 -0.711 . . . . 0.0 112.257 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.462 ' CD ' ' H ' ' A' ' 305' ' ' PHE . 2.8 Cg_exo -77.27 149.43 27.98 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.362 2.041 . . . . 0.0 112.806 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.17 142.64 32.32 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.695 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -126.04 140.69 52.39 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.173 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -125.1 134.49 25.78 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.544 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.469 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.0 Cg_exo -71.25 163.67 38.34 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.301 2.0 . . . . 0.0 113.035 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.74 -28.87 17.14 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 123.391 1.567 . . . . 0.0 109.32 -176.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.35 -9.78 59.66 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 110.587 -3.006 . . . . 0.0 109.292 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.22 18.37 2.64 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 111.816 -2.447 . . . . 0.0 112.119 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.468 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 52.3 mtp180 -129.75 108.3 17.05 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 5.7 Cg_endo -50.5 -26.43 16.47 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 123.853 3.035 . . . . 0.0 114.868 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.68 11.07 13.81 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.459 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -131.14 140.73 50.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.715 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -88.14 150.58 47.61 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.346 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.411 ' O ' HD12 ' A' ' 321' ' ' LEU . 8.3 Cg_exo -72.26 134.45 22.93 Favored 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 122.525 2.15 . . . . 0.0 112.89 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.11 121.07 5.61 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.536 2.157 . . . . 0.0 113.168 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 319' ' ' PRO . 4.8 mp -121.89 144.33 48.91 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.767 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.6 m -137.95 119.67 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.509 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.528 ' H ' ' CD ' ' A' ' 306' ' ' PRO . 81.0 m-85 -127.24 -44.49 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.718 0 CA-C-O 118.597 -0.716 . . . . 0.0 112.305 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.528 ' CD ' ' H ' ' A' ' 305' ' ' PHE . 3.5 Cg_exo -76.66 157.23 35.84 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 122.266 1.978 . . . . 0.0 112.771 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -128.39 143.26 50.97 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.717 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -111.76 -40.81 4.19 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.46 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.5 mp -97.75 125.96 42.63 Favored Pre-proline 0 CA--C 1.539 0.554 0 O-C-N 123.369 0.418 . . . . 0.0 110.835 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.516 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 10.8 Cg_exo -67.76 164.16 32.49 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.495 2.13 . . . . 0.0 112.939 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.14 -28.59 17.79 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-O 123.334 1.54 . . . . 0.0 109.238 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -79.64 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 110.594 -3.003 . . . . 0.0 109.132 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.31 15.02 3.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 111.787 -2.46 . . . . 0.0 112.521 -178.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.434 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 6.6 mpt_? -129.33 102.91 18.28 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.453 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 10.2 Cg_endo -52.55 -28.5 36.79 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 123.407 2.738 . . . . 0.0 114.361 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -88.67 -32.38 18.03 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.356 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 7.5 t80 62.6 122.49 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.059 0.944 . . . . 0.0 111.872 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -104.08 155.93 36.43 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.73 141.92 74.37 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.574 2.183 . . . . 0.0 112.958 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -71.25 121.39 7.75 Favored 'Trans proline' 0 C--N 1.371 1.755 0 C-N-CA 122.747 2.298 . . . . 0.0 113.087 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 4.9 tp -128.67 131.42 48.0 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.479 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -136.45 132.2 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.213 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.794 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -96.78 -44.55 0.25 Allowed Pre-proline 0 CA--C 1.544 0.725 0 CA-C-O 118.616 -0.707 . . . . 0.0 112.224 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.56 151.81 33.07 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.291 1.994 . . . . 0.0 112.712 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -128.4 136.37 50.8 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -99.35 -42.84 6.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.354 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.9 mp -125.72 154.98 73.2 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.827 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.2 Cg_exo -69.04 163.9 35.89 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.498 2.132 . . . . 0.0 112.878 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.45 -28.62 17.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 123.296 1.522 . . . . 0.0 109.285 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.23 59.76 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 110.549 -3.023 . . . . 0.0 109.292 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.1 22.36 1.45 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 111.689 -2.505 . . . . 0.0 112.155 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 94.7 mtt180 -129.5 106.89 17.3 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.17 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 7.6 Cg_endo -52.01 -27.16 27.64 Favored 'Trans proline' 0 C--N 1.373 1.824 0 C-N-CA 123.718 2.946 . . . . 0.0 114.614 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.32 -7.76 59.53 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.674 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -105.76 119.74 39.92 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.116 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -109.45 141.98 24.71 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.325 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -74.69 160.77 40.59 Favored 'Trans proline' 0 C--N 1.376 1.998 0 C-N-CA 122.417 2.078 . . . . 0.0 112.72 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.7 110.32 2.3 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.713 2.275 . . . . 0.0 112.661 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 13.4 mt -99.53 142.33 31.15 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.938 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -114.96 118.8 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.174 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.486 1.328 0 C-N-CA 123.868 0.867 . . . . 0.0 112.012 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.523 ' H ' ' CD ' ' A' ' 306' ' ' PRO . 81.9 m-85 -126.68 -44.56 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.739 0 CA-C-O 118.681 -0.676 . . . . 0.0 112.31 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.523 ' CD ' ' H ' ' A' ' 305' ' ' PHE . 2.9 Cg_exo -76.88 -34.82 2.14 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 122.363 2.042 . . . . 0.0 113.125 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -96.81 -40.07 9.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.386 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -97.2 130.82 44.39 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.351 0.407 . . . . 0.0 111.261 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 310' ' ' PRO . 2.7 tt -114.01 136.09 22.14 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.8 Cg_exo -68.58 164.09 34.32 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.35 2.033 . . . . 0.0 113.098 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.7 17.44 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 123.352 1.548 . . . . 0.0 109.223 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.5 -10.12 59.74 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 110.533 -3.031 . . . . 0.0 109.218 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.4 38.1 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.911 -178.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 95.7 mtt180 -129.52 106.59 17.29 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.162 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.8 Cg_endo -51.42 -26.63 21.86 Favored 'Trans proline' 0 C--N 1.371 1.748 0 C-N-CA 123.698 2.932 . . . . 0.0 114.67 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -80.39 -16.32 54.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.817 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -116.22 122.94 46.48 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.075 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -99.31 150.32 36.63 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.448 ' O ' HD12 ' A' ' 321' ' ' LEU . 6.1 Cg_exo -74.45 154.3 45.24 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.635 2.223 . . . . 0.0 112.569 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.76 121.59 7.49 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 122.525 2.15 . . . . 0.0 113.2 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 319' ' ' PRO . 4.9 mp -102.39 149.28 24.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.986 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.5 m -117.36 119.27 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.171 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.859 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -99.23 157.99 33.05 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-O 119.341 -0.362 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.43 152.99 44.54 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.564 2.176 . . . . 0.0 112.719 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -114.29 125.9 54.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.767 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -129.85 140.72 50.94 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.186 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.79 111.86 65.23 Favored Pre-proline 0 CA--C 1.541 0.606 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.699 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.3 Cg_exo -69.16 164.05 35.44 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.366 2.044 . . . . 0.0 112.994 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.65 -28.58 17.38 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 123.268 1.509 . . . . 0.0 109.17 -176.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.51 -10.15 59.75 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 110.665 -2.97 . . . . 0.0 109.378 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.59 22.07 1.67 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 111.742 -2.481 . . . . 0.0 112.172 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' A' ' 317' ' ' TYR . 99.2 mtt180 -129.44 105.84 17.48 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.133 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 4.5 Cg_endo -49.3 -25.37 9.82 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.753 2.969 . . . . 0.0 114.883 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -89.17 32.14 0.85 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.113 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 314' ' ' ARG . 22.5 t80 -91.15 113.31 25.54 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.738 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -118.41 154.39 52.14 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.73 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 13.7 Cg_exo -69.95 134.26 27.17 Favored 'Trans proline' 0 C--N 1.373 1.858 0 C-N-CA 122.501 2.134 . . . . 0.0 112.791 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 319' ' ' PRO . 2.8 Cg_exo -77.01 18.65 0.74 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.526 2.151 . . . . 0.0 113.515 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.3 mp -98.44 143.58 28.73 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 10.3 t 65.41 132.11 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 C-N-CA 123.846 0.858 . . . . 0.0 111.105 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.878 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -102.16 -46.65 0.19 Allowed Pre-proline 0 CA--C 1.546 0.789 0 CA-C-O 118.733 -0.651 . . . . 0.0 111.795 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.57 156.61 32.11 Favored 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.327 2.018 . . . . 0.0 112.787 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -115.14 144.55 43.5 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -128.09 135.64 50.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -125.4 154.5 72.34 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.48 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.5 Cg_exo -69.82 163.93 36.47 Favored 'Trans proline' 0 C--N 1.375 1.948 0 C-N-CA 122.565 2.177 . . . . 0.0 112.896 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.49 -28.83 17.36 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-O 123.318 1.532 . . . . 0.0 109.299 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.46 -9.66 59.65 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.354 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.58 28.87 0.73 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 111.878 -2.419 . . . . 0.0 112.183 -178.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 96.4 mtt180 -129.38 105.24 17.62 Favored Pre-proline 0 CA--C 1.541 0.627 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.433 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.73 -27.45 33.92 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.487 2.791 . . . . 0.0 114.554 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.66 -1.25 50.59 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.913 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -99.45 115.71 29.92 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.238 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -101.63 108.9 57.73 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.202 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.35 153.12 79.26 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.61 2.207 . . . . 0.0 112.905 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.11 121.82 7.17 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.549 2.166 . . . . 0.0 113.403 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.56 145.55 51.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.768 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.2 131.17 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.313 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.827 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -99.53 107.94 48.1 Favored Pre-proline 0 CA--C 1.542 0.672 0 O-C-N 123.618 0.246 . . . . 0.0 111.034 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.35 157.31 62.34 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.6 2.2 . . . . 0.0 112.658 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -133.74 -41.53 0.85 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.797 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -97.44 -49.87 4.74 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.243 0.339 . . . . 0.0 111.888 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.7 mp -132.22 105.56 13.54 Favored Pre-proline 0 CA--C 1.542 0.655 0 O-C-N 123.209 0.318 . . . . 0.0 111.027 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.476 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.6 Cg_exo -71.62 163.78 37.85 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.446 2.097 . . . . 0.0 112.922 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.84 17.23 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 123.324 1.535 . . . . 0.0 109.345 -176.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.47 -9.63 59.65 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.424 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.33 30.16 0.63 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 111.852 -2.431 . . . . 0.0 112.149 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -129.41 106.15 17.5 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.224 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -52.42 -27.39 31.4 Favored 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 123.521 2.814 . . . . 0.0 114.664 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -84.51 -7.67 59.19 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.598 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -102.78 118.43 36.83 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.207 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -127.23 107.07 21.58 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.475 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.45 159.79 52.28 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.486 2.124 . . . . 0.0 112.855 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.38 109.7 2.5 Favored 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.664 2.243 . . . . 0.0 112.591 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 12.8 mt -120.48 135.77 54.96 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.852 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.6 m -113.7 118.49 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.163 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--O 1.252 1.235 0 CA-C-O 118.444 -0.789 . . . . 0.0 110.568 179.862 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -113.1 115.53 47.84 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-O 119.534 -0.27 . . . . 0.0 110.845 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.52 -34.8 63.33 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.617 2.212 . . . . 0.0 113.242 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -107.45 144.91 33.71 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.353 0.408 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -127.54 140.82 51.88 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.0 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -98.91 151.87 37.57 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.7 Cg_exo -70.77 163.96 37.24 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.597 2.198 . . . . 0.0 112.849 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.53 -28.79 17.35 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 123.407 1.575 . . . . 0.0 109.37 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.71 -9.54 59.66 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.525 -3.034 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.93 29.68 0.71 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.798 -2.456 . . . . 0.0 112.221 -178.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 30.1 mmt180 -129.36 105.33 17.65 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.316 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.463 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.63 -27.57 33.68 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.504 2.803 . . . . 0.0 114.679 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -82.54 -4.69 57.99 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.82 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -98.83 116.0 30.08 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.202 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -121.37 118.76 29.77 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.602 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.74 140.48 74.46 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.567 2.178 . . . . 0.0 112.958 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.27 168.78 23.87 Favored 'Trans proline' 0 C--N 1.371 1.739 0 C-N-CA 122.56 2.174 . . . . 0.0 113.117 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 11.8 mt 62.2 122.64 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.039 0.936 . . . . 0.0 112.13 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.51 120.52 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.209 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.538 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -122.6 158.23 57.11 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-O 119.337 -0.363 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.7 157.17 48.49 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.558 2.172 . . . . 0.0 112.785 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -124.64 -42.77 2.05 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.281 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -102.89 128.25 49.75 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.188 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 2.5 tt -130.48 131.9 23.65 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.228 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.3 Cg_exo -68.96 163.87 35.92 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.35 2.033 . . . . 0.0 112.986 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.43 -28.6 17.54 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 123.311 1.529 . . . . 0.0 109.274 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.67 -9.85 59.7 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 110.536 -3.029 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.16 31.33 0.56 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.831 -2.44 . . . . 0.0 112.082 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.455 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 96.3 mtt180 -129.43 106.14 17.47 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.257 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 8.7 Cg_endo -52.63 -27.49 33.37 Favored 'Trans proline' 0 C--N 1.372 1.765 0 C-N-CA 123.592 2.862 . . . . 0.0 114.508 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -84.28 -4.07 58.62 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.626 -1.17 . . . . 0.0 111.734 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -109.59 122.63 47.86 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.115 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -97.99 142.41 24.53 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.502 ' O ' HD12 ' A' ' 321' ' ' LEU . 15.2 Cg_exo -69.86 134.35 27.56 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.423 2.082 . . . . 0.0 112.698 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 319' ' ' PRO . 5.8 Cg_exo -78.19 109.46 2.69 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 122.548 2.166 . . . . 0.0 112.697 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 319' ' ' PRO . 4.9 mp -97.37 145.14 26.44 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.838 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.24 133.95 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.241 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.855 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -128.32 157.89 73.12 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-O 119.303 -0.379 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.61 148.22 36.9 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.595 2.197 . . . . 0.0 112.702 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -129.32 144.8 51.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -102.27 -42.73 5.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.373 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 11.7 mt -113.06 123.21 34.04 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 123.396 0.435 . . . . 0.0 110.758 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.498 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 8.3 Cg_exo -68.06 164.07 33.4 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.411 2.074 . . . . 0.0 112.927 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.45 17.64 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.249 1.5 . . . . 0.0 109.235 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.6 -10.19 59.75 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 110.556 -3.02 . . . . 0.0 109.3 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.52 25.16 1.08 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 111.738 -2.483 . . . . 0.0 112.21 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 99.0 mtt180 -129.47 105.78 17.44 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.123 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 5.0 Cg_endo -49.88 -25.37 11.91 Favored 'Trans proline' 0 C--N 1.374 1.871 0 C-N-CA 123.728 2.952 . . . . 0.0 114.922 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -88.38 26.98 1.32 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.763 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -98.21 115.59 28.66 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.474 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -107.51 145.01 30.4 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 56.4 Cg_endo -72.92 134.37 21.5 Favored 'Trans proline' 0 C--N 1.372 1.797 0 C-N-CA 122.462 2.108 . . . . 0.0 113.116 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 319' ' ' PRO . 9.8 Cg_exo -71.7 109.62 2.69 Favored 'Trans proline' 0 C--N 1.376 2.019 0 C-N-CA 122.574 2.183 . . . . 0.0 112.525 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 12.4 mt -113.34 137.14 51.94 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.969 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.63 122.94 24.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.312 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.507 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.08 111.67 61.37 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 123.619 0.246 . . . . 0.0 110.796 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.62 136.16 44.99 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.578 2.186 . . . . 0.0 113.057 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -130.54 144.5 51.46 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.496 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -100.28 -58.12 1.98 Allowed 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.58 0.55 . . . . 0.0 111.4 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 309' ' ' LEU . 2.1 pp -148.0 129.35 7.22 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.073 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.477 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.2 Cg_exo -69.73 164.09 35.81 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.395 2.063 . . . . 0.0 112.682 179.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.32 -28.93 17.42 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.327 1.537 . . . . 0.0 109.382 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -79.43 -9.99 59.71 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 110.585 -3.007 . . . . 0.0 109.445 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.83 36.86 0.68 Allowed 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.064 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -129.26 104.79 17.87 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.461 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.62 -28.67 47.23 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 123.398 2.732 . . . . 0.0 114.44 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -84.4 -2.4 57.1 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.405 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -104.95 120.0 40.39 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.096 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -96.22 153.32 39.08 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.992 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.48 158.6 53.57 Favored 'Trans proline' 0 C--N 1.374 1.869 0 C-N-CA 122.531 2.154 . . . . 0.0 112.757 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.08 109.58 2.73 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.692 2.262 . . . . 0.0 112.511 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 14.7 mt -99.07 126.74 44.87 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.058 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.6 m -141.32 135.11 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.274 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.819 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 58.73 106.75 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 123.883 0.873 . . . . 0.0 112.012 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.23 157.95 47.05 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.648 2.232 . . . . 0.0 113.08 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.78 146.52 25.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -123.6 149.08 45.77 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.277 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -123.0 155.42 64.06 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.994 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.499 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 8.9 Cg_exo -67.89 164.4 31.82 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.598 2.199 . . . . 0.0 112.938 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.3 -28.49 17.72 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-O 123.355 1.55 . . . . 0.0 109.207 -176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.6 -9.96 59.71 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 110.609 -2.996 . . . . 0.0 109.275 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 310' ' ' PRO . . . -86.22 29.7 0.73 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 111.654 -2.521 . . . . 0.0 111.855 -178.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.29 105.58 17.73 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.187 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -47.79 -23.09 3.68 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 123.903 3.069 . . . . 0.0 115.113 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -84.16 17.55 2.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.955 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -93.13 112.9 25.0 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.424 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -102.42 143.09 25.91 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.18 161.95 31.87 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.563 2.175 . . . . 0.0 112.742 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.25 112.68 2.62 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.636 2.224 . . . . 0.0 112.69 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 2.5 pp -95.95 141.86 28.86 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.202 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.47 136.04 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.885 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.78 158.06 32.78 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 119.303 -0.379 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.09 -35.33 4.22 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.487 2.125 . . . . 0.0 113.024 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -120.52 147.95 44.48 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.352 0.407 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -99.57 147.94 24.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.52 155.73 74.12 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.497 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 8.6 Cg_exo -67.67 164.12 32.48 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.46 2.107 . . . . 0.0 112.834 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.23 -28.62 17.69 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 123.363 1.554 . . . . 0.0 109.296 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -79.63 -10.03 59.73 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 110.591 -3.004 . . . . 0.0 109.24 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -86.27 26.8 0.99 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 111.803 -2.453 . . . . 0.0 112.128 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 82.1 mtm180 -129.25 105.31 17.82 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.363 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 9.4 Cg_endo -52.72 -27.61 34.55 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.523 2.815 . . . . 0.0 114.641 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -83.28 -1.99 54.55 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.777 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -99.76 116.72 32.5 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.224 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -124.72 154.54 70.37 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.846 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.8 157.98 59.67 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.529 2.153 . . . . 0.0 112.829 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -72.63 107.96 2.43 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.721 2.281 . . . . 0.0 112.647 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.7 mp 62.95 127.06 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.026 0.931 . . . . 0.0 112.165 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -138.23 120.05 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.248 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.89 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -127.22 143.31 46.64 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-O 119.137 -0.459 . . . . 0.0 110.411 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.16 -35.52 63.66 Favored 'Trans proline' 0 C--N 1.377 2.033 0 C-N-CA 122.484 2.123 . . . . 0.0 113.398 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -98.63 136.37 38.8 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -126.3 149.98 48.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.185 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.4 117.46 64.71 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.503 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 9.4 Cg_exo -67.88 164.19 32.61 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.473 2.116 . . . . 0.0 112.892 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.31 -28.56 17.67 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 123.257 1.503 . . . . 0.0 109.215 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -79.59 -10.48 59.8 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 110.623 -2.99 . . . . 0.0 109.308 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.44 16.99 3.38 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 111.668 -2.514 . . . . 0.0 112.261 -178.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 99.0 mtt180 -129.26 102.65 18.55 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.483 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 10.1 Cg_endo -52.93 -28.5 39.72 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.39 2.726 . . . . 0.0 114.166 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -92.95 -32.36 14.58 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.398 -1.273 . . . . 0.0 111.105 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 7.5 t80 60.96 114.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.119 0.968 . . . . 0.0 111.875 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -134.16 111.41 11.96 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.296 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 25.5 Cg_exo -64.42 134.14 40.41 Favored 'Trans proline' 0 C--N 1.374 1.892 0 C-N-CA 122.548 2.165 . . . . 0.0 112.905 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 319' ' ' PRO . 13.7 Cg_exo -69.56 109.96 2.4 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 122.501 2.134 . . . . 0.0 112.672 179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.21 124.94 50.39 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.986 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.9 m -140.03 120.33 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.316 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.161 -0.924 . . . . 0.0 110.857 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . 0.522 ' H ' ' CD ' ' A' ' 306' ' ' PRO . 80.4 m-85 -127.45 -44.46 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.718 0 CA-C-O 118.763 -0.637 . . . . 0.0 112.372 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . 0.522 ' CD ' ' H ' ' A' ' 305' ' ' PHE . 3.2 Cg_exo -76.87 145.77 25.58 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.294 1.996 . . . . 0.0 112.961 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -127.47 157.74 39.25 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.654 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -92.42 96.6 10.34 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.14 0.495 . . . . 0.0 111.876 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 4.5 mp -144.41 110.03 4.94 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.388 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.484 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.8 Cg_exo -70.05 163.82 37.09 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.335 2.023 . . . . 0.0 112.86 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.75 -28.95 17.07 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 123.376 1.56 . . . . 0.0 109.34 -176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.66 -10.07 59.73 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 110.448 -3.069 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.84 11.13 11.89 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 111.862 -2.426 . . . . 0.0 112.196 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -129.65 106.35 17.12 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.817 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -50.88 -25.98 17.01 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 123.729 2.952 . . . . 0.0 114.891 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.44 1.8 31.55 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.698 -1.137 . . . . 0.0 112.04 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -100.07 117.58 34.63 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -109.77 150.12 40.88 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.878 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.95 152.87 79.58 Favored 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.647 2.231 . . . . 0.0 113.132 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.05 167.86 25.57 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 122.669 2.246 . . . . 0.0 113.16 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.78 149.59 50.66 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 4.0 m -110.47 117.32 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.228 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.495 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.29 157.99 33.04 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.316 -0.373 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.3 140.56 27.72 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.541 2.161 . . . . 0.0 112.721 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -127.9 130.12 47.99 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.768 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -126.95 135.76 51.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 13.5 mt -126.55 153.58 75.28 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.826 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.467 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 5.6 Cg_exo -70.61 163.99 36.98 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.537 2.158 . . . . 0.0 112.954 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.71 -28.83 17.18 Favored 'General case' 0 CA--C 1.5 -0.944 0 CA-C-O 123.366 1.555 . . . . 0.0 109.265 -176.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -79.51 -9.68 59.66 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 110.542 -3.026 . . . . 0.0 109.433 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.75 24.11 1.3 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 111.909 -2.405 . . . . 0.0 112.261 -178.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 75.8 mtm180 -129.54 106.41 17.29 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.22 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 8.4 Cg_endo -52.46 -27.38 31.69 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 123.586 2.857 . . . . 0.0 114.543 179.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.69 4.04 34.47 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.6 -1.182 . . . . 0.0 111.602 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -109.1 122.81 48.07 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.072 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -93.89 111.43 52.86 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.38 146.98 86.91 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.626 2.217 . . . . 0.0 112.988 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.72 169.02 22.98 Favored 'Trans proline' 0 C--N 1.37 1.683 0 C-N-CA 122.703 2.268 . . . . 0.0 113.137 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.8 mp -101.81 151.26 22.28 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 11.2 p -131.81 131.39 62.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.655 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.486 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -100.46 158.37 32.06 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-O 119.318 -0.372 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.84 143.56 33.47 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 122.636 2.224 . . . . 0.0 112.718 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.03 137.04 51.07 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.614 0.571 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -99.16 -41.9 7.3 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.333 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.1 123.37 22.58 Favored Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 123.345 0.403 . . . . 0.0 110.743 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.494 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 10.1 Cg_exo -67.26 164.28 31.06 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.401 2.067 . . . . 0.0 112.901 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.25 -28.79 17.57 Favored 'General case' 0 CA--C 1.5 -0.976 0 CA-C-O 123.348 1.547 . . . . 0.0 109.185 -176.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.7 p-90 -79.59 -10.7 59.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 110.528 -3.033 . . . . 0.0 109.151 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.14 3.27 39.83 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 111.753 -2.476 . . . . 0.0 112.245 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 82.6 mtm180 -129.8 102.8 17.64 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.952 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 3.7 Cg_endo -47.85 -24.97 5.51 Favored 'Trans proline' 0 C--N 1.378 2.083 0 C-N-CA 123.783 2.989 . . . . 0.0 115.186 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -87.88 32.46 0.74 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.551 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . 0.404 ' HD2' ' O ' ' A' ' 314' ' ' ARG . 27.1 p90 -88.6 124.7 34.31 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -84.65 155.58 62.03 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.053 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.33 134.23 41.08 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.549 2.166 . . . . 0.0 112.909 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.63 109.72 2.91 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.665 2.244 . . . . 0.0 112.89 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.3 130.45 42.79 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.912 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.87 124.94 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.267 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.77 -179.886 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.113 0 N-CA-C 112.566 -0.214 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -99.64 158.17 32.62 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-O 119.383 -0.342 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.78 -32.07 7.78 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.529 2.152 . . . . 0.0 113.122 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -96.55 142.23 28.87 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.374 0.421 . . . . 0.0 111.122 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -125.39 -43.93 1.89 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.286 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -109.1 155.41 40.99 Favored Pre-proline 0 CA--C 1.539 0.548 0 O-C-N 123.389 0.43 . . . . 0.0 110.838 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.493 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 7.7 Cg_exo -68.04 164.02 33.58 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.53 2.154 . . . . 0.0 112.984 179.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.28 -28.77 17.56 Favored 'General case' 0 CA--C 1.5 -0.96 0 CA-C-O 123.363 1.554 . . . . 0.0 109.292 -176.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.6 -10.11 59.74 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 110.541 -3.027 . . . . 0.0 109.275 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.62 28.53 0.76 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 111.759 -2.473 . . . . 0.0 112.126 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.27 105.53 17.76 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.306 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.69 -27.74 34.83 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 123.518 2.812 . . . . 0.0 114.59 179.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -85.09 -5.81 59.33 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.585 -1.189 . . . . 0.0 111.751 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -100.22 116.97 33.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.367 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -109.65 109.08 59.82 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.72 134.29 37.29 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.557 2.171 . . . . 0.0 112.84 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.52 111.57 2.59 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.546 2.164 . . . . 0.0 112.666 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 11.7 mt -99.63 128.46 45.74 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.884 179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.05 135.97 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.286 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.879 179.947 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.68 157.8 33.28 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.28 -23.73 17.46 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.578 2.185 . . . . 0.0 113.194 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -92.79 -12.84 30.18 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.373 0.421 . . . . 0.0 111.876 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -93.15 -41.18 10.07 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 123.22 0.325 . . . . 0.0 111.668 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.4 mp -97.16 150.78 37.19 Favored Pre-proline 0 CA--C 1.537 0.473 0 O-C-N 123.334 0.396 . . . . 0.0 110.925 179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 3.9 Cg_exo -71.7 163.79 37.79 Favored 'Trans proline' 0 C--N 1.375 1.974 0 C-N-CA 122.566 2.177 . . . . 0.0 112.917 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.66 -28.92 17.16 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-O 123.391 1.567 . . . . 0.0 109.336 -176.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -79.41 -9.49 59.61 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 110.521 -3.036 . . . . 0.0 109.327 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -85.74 28.5 0.77 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 111.911 -2.404 . . . . 0.0 112.227 -178.443 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -129.49 106.97 17.31 Favored Pre-proline 0 CA--C 1.541 0.612 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.191 -179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -51.18 -26.21 19.24 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 123.753 2.969 . . . . 0.0 114.836 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.51 -4.47 51.48 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.751 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -120.77 128.1 52.59 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.032 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -93.3 150.27 38.76 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -74.81 161.19 39.65 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 122.63 2.22 . . . . 0.0 112.82 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.91 109.82 2.43 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 122.655 2.236 . . . . 0.0 112.492 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 5.7 mp 63.93 147.81 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.022 0.929 . . . . 0.0 112.402 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.45 121.95 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.324 179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.848 179.979 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 304' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 305' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -102.47 157.98 32.66 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-O 119.356 -0.354 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 306' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.37 136.36 21.7 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.477 2.118 . . . . 0.0 112.839 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 307' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -102.23 -42.8 5.91 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.241 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 308' ' ' ALA . . . . . . . . . . . . . . . -119.94 142.82 48.39 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.066 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 309' ' ' LEU . . . . . . . . . . . . . 5.8 mp -99.02 153.15 37.93 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 310' ' ' PRO . . . . . 0.478 ' HB2' ' HB2' ' A' ' 313' ' ' ALA . 6.3 Cg_exo -70.31 163.89 37.08 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.555 2.17 . . . . 0.0 113.041 179.788 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -91.44 -28.78 17.43 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 123.384 1.564 . . . . 0.0 109.332 -176.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 312' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -79.53 -10.0 59.72 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 110.508 -3.042 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.478 ' HB2' ' HB2' ' A' ' 310' ' ' PRO . . . -84.78 36.43 0.61 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 111.848 -2.433 . . . . 0.0 112.031 -178.475 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 314' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 315' ' ' PRO . 68.9 mtm180 -129.48 106.72 17.34 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.106 -179.743 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 314' ' ' ARG . 6.4 Cg_endo -51.0 -26.24 18.1 Favored 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 123.689 2.926 . . . . 0.0 114.944 179.738 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 316' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -81.39 -14.66 56.93 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.715 -1.129 . . . . 0.0 111.936 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 317' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -119.64 124.96 47.58 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.51 0.506 . . . . 0.0 110.126 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 318' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -99.43 146.73 32.27 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.854 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.473 ' O ' HD12 ' A' ' 321' ' ' LEU . 2.8 Cg_exo -76.35 158.72 36.8 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.549 2.166 . . . . 0.0 112.735 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.86 112.76 3.64 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.646 2.23 . . . . 0.0 112.453 179.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 319' ' ' PRO . 5.1 mp -92.14 129.25 38.14 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.022 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 322' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.33 133.93 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.244 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.917 179.902 . . . . . . . . 0 0 . 1 stop_ save_