NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
619728 5u9b 30210 cing 4-filtered-FRED Wattos check violation dihedral angle


data_5u9b


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              171
    _TA_constraint_stats_list.Viol_count                    438
    _TA_constraint_stats_list.Viol_total                    1162.55
    _TA_constraint_stats_list.Viol_max                      0.47
    _TA_constraint_stats_list.Viol_rms                      0.06
    _TA_constraint_stats_list.Viol_average_all_restraints   0.02
    _TA_constraint_stats_list.Viol_average_violations_only  0.13
    _TA_constraint_stats_list.Cutoff_violation_report       5.00
    _TA_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * ID of the restraint list.                                                                 
*  3 * Number of restraints in list.                                                             
*  4 * Number of violated restraints (each model violation is used).                             
*  5 * Sum of violations in degrees.                                                             
*  6 * Maximum violation of a restraint without averaging in any way.                            
*  7 * Rms of violations over all restraints.                                                    
*  8 *  Average violation over all restraints.                                                   
*  9 *  Average violation over violated restraints.                                              
            This violation is averaged over only those models in which the restraint is violated.
            Threshold for reporting violations (degrees) in the last columns of the next table.     
*  10 * This tag.                                                                                

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                             
*  2 * Torsion angle name where available.                             
*  3 *     First atom's:                                               
*  4 * Chain identifier (can be absent if none defined)                
*  5 * Residue number                                                  
*  6 * Residue name                                                    
*  7 * Name of (pseudo-)atom                                           
*  8 *  Second thru fourth atom's identifiers occupy columns 7 thru 18.
*  19 * Lower bound (degrees)                                               
*  20 * Upper bound (degrees)                                               
*  21 * Average angle in ensemble of models                                 
*  22 * Minimum angle in ensemble of models (counter clockwise from range)  
*  23 * Maximum angle in ensemble of models         (clockwise from range)  
*  24 * Maximum violation (without any averaging)                           
*  25 * Model number with the maximum violation                             
*  26 * Number of models with a violation above cutoff                      
*  27 * List of models with a violation above cutoff. See description above.
*  28 * Administrative tag                                                  
*  29 * Administrative tag                                                  

;


    loop_
       _TA_constraint_stats.Restraint_ID
       _TA_constraint_stats.Torsion_angle_name
       _TA_constraint_stats.Entity_assembly_ID_1
       _TA_constraint_stats.Comp_index_ID_1
       _TA_constraint_stats.Comp_ID_1
       _TA_constraint_stats.Atom_ID_1
       _TA_constraint_stats.Entity_assembly_ID_2
       _TA_constraint_stats.Comp_index_ID_2
       _TA_constraint_stats.Comp_ID_2
       _TA_constraint_stats.Atom_ID_2
       _TA_constraint_stats.Entity_assembly_ID_3
       _TA_constraint_stats.Comp_index_ID_3
       _TA_constraint_stats.Comp_ID_3
       _TA_constraint_stats.Atom_ID_3
       _TA_constraint_stats.Entity_assembly_ID_4
       _TA_constraint_stats.Comp_index_ID_4
       _TA_constraint_stats.Comp_ID_4
       _TA_constraint_stats.Atom_ID_4
       _TA_constraint_stats.Angle_lower_bound_val
       _TA_constraint_stats.Angle_upper_bound_val
       _TA_constraint_stats.Angle_average
       _TA_constraint_stats.Angle_minimum
       _TA_constraint_stats.Angle_maximum
       _TA_constraint_stats.Max_violation
       _TA_constraint_stats.Max_violation_model_number
       _TA_constraint_stats.Over_cutoff_violation_count
       _TA_constraint_stats.Over_cutoff_violation_per_model

         1 ALPHA 2  1 G   O3' 2  2 U   P   2  2 U   O5' 2  2 U   C5' -120.00  120.00  -75.58 -110.38  120.07 0.07 14 0 "[    .    1    .    2]" 
         2 BETA  2  2 U   P   2  2 U   O5' 2  2 U   C5' 2  2 U   C4'  140.00 -140.00  168.80  152.57 -173.65    .  . 0 "[    .    1    .    2]" 
         3 GAMMA 2  2 U   O5' 2  2 U   C5' 2  2 U   C4' 2  2 U   C3'   20.00  100.00   55.88   41.64   71.27    .  . 0 "[    .    1    .    2]" 
         4 DELTA 2  2 U   C5' 2  2 U   C4' 2  2 U   C3' 2  2 U   O3'   55.00 -170.00  113.68  131.97  110.05    .  . 0 "[    .    1    .    2]" 
         5 ZETA  2  1 G   C3' 2  1 G   O3' 2  2 U   P   2  2 U   O5' -120.00  120.00   17.37   53.98  -53.32    .  . 0 "[    .    1    .    2]" 
         6 ALPHA 2  3 C   O3' 2  4 U   P   2  4 U   O5' 2  4 U   C5' -120.00  120.00  -66.67 -117.64  120.09 0.09 12 0 "[    .    1    .    2]" 
         7 BETA  2  4 U   P   2  4 U   O5' 2  4 U   C5' 2  4 U   C4'  140.00 -140.00  171.68  149.67 -174.90    .  . 0 "[    .    1    .    2]" 
         8 GAMMA 2  4 U   O5' 2  4 U   C5' 2  4 U   C4' 2  4 U   C3'   20.00  100.00   55.42   35.62   72.89    .  . 0 "[    .    1    .    2]" 
         9 DELTA 2  4 U   C5' 2  4 U   C4' 2  4 U   C3' 2  4 U   O3'   55.00 -170.00  108.45   70.05  153.28    .  . 0 "[    .    1    .    2]" 
        10 ZETA  2  3 C   C3' 2  3 C   O3' 2  4 U   P   2  4 U   O5' -120.00  120.00  -59.00 -120.03   89.82 0.03  3 0 "[    .    1    .    2]" 
        11 ALPHA 2  7 C   O3' 2  8 U   P   2  8 U   O5' 2  8 U   C5' -120.00  120.00  -67.47  -73.24  -60.27    .  . 0 "[    .    1    .    2]" 
        12 BETA  2  8 U   P   2  8 U   O5' 2  8 U   C5' 2  8 U   C4'  140.00 -140.00 -168.03 -177.23 -162.24    .  . 0 "[    .    1    .    2]" 
        13 GAMMA 2  8 U   O5' 2  8 U   C5' 2  8 U   C4' 2  8 U   C3'   20.00  100.00   44.64   35.56   56.27    .  . 0 "[    .    1    .    2]" 
        14 DELTA 2  8 U   C5' 2  8 U   C4' 2  8 U   C3' 2  8 U   O3'   55.00 -170.00   93.72  103.53  101.06    .  . 0 "[    .    1    .    2]" 
        15 ZETA  2  7 C   C3' 2  7 C   O3' 2  8 U   P   2  8 U   O5' -120.00  120.00  -66.85  -73.55  -54.32    .  . 0 "[    .    1    .    2]" 
        16 ALPHA 2  8 U   O3' 2  9 U   P   2  9 U   O5' 2  9 U   C5' -120.00  120.00  -91.60 -103.47 -107.69 0.15 20 0 "[    .    1    .    2]" 
        17 BETA  2  9 U   P   2  9 U   O5' 2  9 U   C5' 2  9 U   C4'  140.00 -140.00  151.19  139.81 -179.45 0.19 11 0 "[    .    1    .    2]" 
        18 GAMMA 2  9 U   O5' 2  9 U   C5' 2  9 U   C4' 2  9 U   C3'   20.00  100.00   58.01   39.42   94.17    .  . 0 "[    .    1    .    2]" 
        19 DELTA 2  9 U   C5' 2  9 U   C4' 2  9 U   C3' 2  9 U   O3'   55.00 -170.00   76.68   68.67   86.38    .  . 0 "[    .    1    .    2]" 
        20 ZETA  2  8 U   C3' 2  8 U   O3' 2  9 U   P   2  9 U   O5' -120.00  120.00  124.46  105.86  102.52 0.12 12 0 "[    .    1    .    2]" 
        21 ALPHA 2  9 U   O3' 2 10 U   P   2 10 U   O5' 2 10 U   C5' -120.00  120.00  -78.12  -86.40  -93.85 0.14  7 0 "[    .    1    .    2]" 
        22 BETA  2 10 U   P   2 10 U   O5' 2 10 U   C5' 2 10 U   C4'  140.00 -140.00 -171.35 -163.48 -170.33    .  . 0 "[    .    1    .    2]" 
        23 GAMMA 2 10 U   O5' 2 10 U   C5' 2 10 U   C4' 2 10 U   C3'   20.00  100.00   46.44   50.53   48.32 0.07  7 0 "[    .    1    .    2]" 
        24 DELTA 2 10 U   C5' 2 10 U   C4' 2 10 U   C3' 2 10 U   O3'   55.00 -170.00   78.66   65.40  138.90    .  . 0 "[    .    1    .    2]" 
        25 ZETA  2  9 U   C3' 2  9 U   O3' 2 10 U   P   2 10 U   O5' -120.00  120.00  -92.85 -115.90  -76.90    .  . 0 "[    .    1    .    2]" 
        26 ALPHA 2 10 U   O3' 2 11 U   P   2 11 U   O5' 2 11 U   C5' -120.00  120.00  -65.18   51.87  -68.09 0.07 18 0 "[    .    1    .    2]" 
        27 BETA  2 11 U   P   2 11 U   O5' 2 11 U   C5' 2 11 U   C4'  140.00 -140.00  173.78  164.24  154.21 0.02 18 0 "[    .    1    .    2]" 
        28 GAMMA 2 11 U   O5' 2 11 U   C5' 2 11 U   C4' 2 11 U   C3'   20.00  100.00   48.18   19.91   64.84 0.09  9 0 "[    .    1    .    2]" 
        29 DELTA 2 11 U   C5' 2 11 U   C4' 2 11 U   C3' 2 11 U   O3'   55.00 -170.00  113.43  155.84  148.95    .  . 0 "[    .    1    .    2]" 
        30 ZETA  2 10 U   C3' 2 10 U   O3' 2 11 U   P   2 11 U   O5' -120.00  120.00  -86.12 -120.11  104.80 0.11 12 0 "[    .    1    .    2]" 
        31 PHI   1  1 MET C   1  2 ALA N   1  2 ALA CA  1  2 ALA C   -180.00    0.00 -127.56 -138.74 -141.35    .  . 0 "[    .    1    .    2]" 
        32 PHI   1  2 ALA C   1  3 VAL N   1  3 VAL CA  1  3 VAL C   -180.00    0.00 -133.04  -65.73 -136.73    .  . 0 "[    .    1    .    2]" 
        33 PHI   1  3 VAL C   1  4 SER N   1  4 SER CA  1  4 SER C   -180.00    0.00 -131.69 -159.96  -59.53    .  . 0 "[    .    1    .    2]" 
        34 PHI   1  4 SER C   1  5 VAL N   1  5 VAL CA  1  5 VAL C   -180.00    0.00 -118.70 -158.03  -61.01    .  . 0 "[    .    1    .    2]" 
        35 PHI   1  5 VAL C   1  6 THR N   1  6 THR CA  1  6 THR C   -104.30  -62.50  -64.62  -62.47  -62.50 0.13  8 0 "[    .    1    .    2]" 
        36 PSI   1  6 THR N   1  6 THR CA  1  6 THR C   1  7 PRO N    106.50  150.20  132.54  115.58  143.18    .  . 0 "[    .    1    .    2]" 
        37 PHI   1  7 PRO C   1  8 ILE N   1  8 ILE CA  1  8 ILE C   -120.00  -80.00 -104.50 -120.27  -79.65 0.35 19 0 "[    .    1    .    2]" 
        38 PSI   1  8 ILE N   1  8 ILE CA  1  8 ILE C   1  9 ARG N    100.00  160.00  158.81  147.58  160.15 0.15  4 0 "[    .    1    .    2]" 
        39 PHI   1  8 ILE C   1  9 ARG N   1  9 ARG CA  1  9 ARG C   -180.00    0.00 -108.21 -151.08    0.15 0.15 19 0 "[    .    1    .    2]" 
        40 PSI   1  9 ARG N   1  9 ARG CA  1  9 ARG C   1 10 ASP N     90.00  180.00  149.81  147.14  135.95 0.15  4 0 "[    .    1    .    2]" 
        41 PHI   1  9 ARG C   1 10 ASP N   1 10 ASP CA  1 10 ASP C   -180.00    0.00 -124.69 -162.57  -55.73    .  . 0 "[    .    1    .    2]" 
        42 PSI   1 10 ASP N   1 10 ASP CA  1 10 ASP C   1 11 THR N    100.00  170.00  101.87   99.80   99.71 0.37  4 0 "[    .    1    .    2]" 
        43 PHI   1 10 ASP C   1 11 THR N   1 11 THR CA  1 11 THR C   -120.00  -38.00  -62.10  -64.23  -66.87    .  . 0 "[    .    1    .    2]" 
        44 PHI   1 11 THR C   1 12 LYS N   1 12 LYS CA  1 12 LYS C   -100.00  -20.00  -59.40  -65.99  -50.46    .  . 0 "[    .    1    .    2]" 
        45 PSI   1 12 LYS N   1 12 LYS CA  1 12 LYS C   1 13 TRP N    -60.00   20.00  -29.41  -24.37  -26.32    .  . 0 "[    .    1    .    2]" 
        46 PHI   1 12 LYS C   1 13 TRP N   1 13 TRP CA  1 13 TRP C   -120.00  -20.00  -82.69  -87.84  -76.40    .  . 0 "[    .    1    .    2]" 
        47 PSI   1 13 TRP N   1 13 TRP CA  1 13 TRP C   1 14 LEU N    -30.00    0.00  -19.57  -28.75  -10.94    .  . 0 "[    .    1    .    2]" 
        48 PHI   1 13 TRP C   1 14 LEU N   1 14 LEU CA  1 14 LEU C   -120.00  -60.00  -93.95  -98.48 -103.81    .  . 0 "[    .    1    .    2]" 
        49 PSI   1 14 LEU N   1 14 LEU CA  1 14 LEU C   1 15 THR N    -60.00    0.00  -16.08  -18.73  -13.96    .  . 0 "[    .    1    .    2]" 
        50 PHI   1 14 LEU C   1 15 THR N   1 15 THR CA  1 15 THR C   -150.00  -80.00  -79.82  -79.72  -79.75 0.29  2 0 "[    .    1    .    2]" 
        51 PSI   1 15 THR N   1 15 THR CA  1 15 THR C   1 16 LEU N    120.00  170.00  149.06  144.29  152.71    .  . 0 "[    .    1    .    2]" 
        52 PHI   1 15 THR C   1 16 LEU N   1 16 LEU CA  1 16 LEU C   -150.00 -100.00 -133.12 -139.06 -130.03    .  . 0 "[    .    1    .    2]" 
        53 PSI   1 16 LEU N   1 16 LEU CA  1 16 LEU C   1 17 GLU N    135.00  180.00  142.23  134.91  151.66 0.09 19 0 "[    .    1    .    2]" 
        54 PHI   1 16 LEU C   1 17 GLU N   1 17 GLU CA  1 17 GLU C   -125.00  -60.00  -76.97  -76.83  -80.25    .  . 0 "[    .    1    .    2]" 
        55 PSI   1 17 GLU N   1 17 GLU CA  1 17 GLU C   1 18 VAL N    115.00  160.00  143.20  140.71  139.54    .  . 0 "[    .    1    .    2]" 
        56 PHI   1 17 GLU C   1 18 VAL N   1 18 VAL CA  1 18 VAL C   -125.00  -70.00  -87.46  -98.45  -79.73    .  . 0 "[    .    1    .    2]" 
        57 PSI   1 18 VAL N   1 18 VAL CA  1 18 VAL C   1 19 CYS N    105.00  140.00  139.76  139.68  139.24 0.07  2 0 "[    .    1    .    2]" 
        58 PHI   1 19 CYS C   1 20 ARG N   1 20 ARG CA  1 20 ARG C   -110.00  -50.00  -64.61  -68.70  -59.41    .  . 0 "[    .    1    .    2]" 
        59 PHI   1 20 ARG C   1 21 GLU N   1 21 GLU CA  1 21 GLU C    -80.00  -50.00  -72.56  -79.58  -79.92 0.09 13 0 "[    .    1    .    2]" 
        60 PSI   1 21 GLU N   1 21 GLU CA  1 21 GLU C   1 22 PHE N    -50.00  -15.00  -29.60  -37.25  -25.57    .  . 0 "[    .    1    .    2]" 
        61 PHI   1 21 GLU C   1 22 PHE N   1 22 PHE CA  1 22 PHE C    -90.00  -50.00  -66.60  -62.63  -63.45    .  . 0 "[    .    1    .    2]" 
        62 PSI   1 22 PHE N   1 22 PHE CA  1 22 PHE C   1 23 GLN N    -55.00  -10.00  -42.55  -44.90  -39.19    .  . 0 "[    .    1    .    2]" 
        63 PHI   1 22 PHE C   1 23 GLN N   1 23 GLN CA  1 23 GLN C    -91.00  -48.90  -63.85  -64.75  -65.29    .  . 0 "[    .    1    .    2]" 
        64 PSI   1 23 GLN N   1 23 GLN CA  1 23 GLN C   1 24 ARG N    -56.30  -16.30  -28.00  -38.99  -16.02 0.28 13 0 "[    .    1    .    2]" 
        65 PHI   1 23 GLN C   1 24 ARG N   1 24 ARG CA  1 24 ARG C   -120.00  -40.00  -88.67 -116.90  -69.51    .  . 0 "[    .    1    .    2]" 
        66 PSI   1 24 ARG N   1 24 ARG CA  1 24 ARG C   1 25 GLY N    -60.00    0.00  -10.55   -0.00   -5.83 0.12 19 0 "[    .    1    .    2]" 
        67 PHI   1 24 ARG C   1 25 GLY N   1 25 GLY CA  1 25 GLY C     40.00   80.00   76.01   68.95   80.17 0.17  9 0 "[    .    1    .    2]" 
        68 PSI   1 25 GLY N   1 25 GLY CA  1 25 GLY C   1 26 THR N      0.00   60.00   29.34   14.77   35.22    .  . 0 "[    .    1    .    2]" 
        69 PHI   1 27 CYS C   1 28 SER N   1 28 SER CA  1 28 SER C   -140.00  -55.00 -139.17 -140.12 -135.81 0.12  9 0 "[    .    1    .    2]" 
        70 PSI   1 28 SER N   1 28 SER CA  1 28 SER C   1 29 ARG N     60.00  150.00   59.80   59.88   59.85 0.31 18 0 "[    .    1    .    2]" 
        71 PHI   1 28 SER C   1 29 ARG N   1 29 ARG CA  1 29 ARG C   -180.00  -65.00 -151.82 -159.86 -145.88    .  . 0 "[    .    1    .    2]" 
        72 PSI   1 29 ARG N   1 29 ARG CA  1 29 ARG C   1 30 PRO N     90.00  170.00  150.99  153.83  151.64    .  . 0 "[    .    1    .    2]" 
        73 PSI   1 30 PRO N   1 30 PRO CA  1 30 PRO C   1 31 ASP N    120.00  160.00  156.28  151.22  159.71    .  . 0 "[    .    1    .    2]" 
        74 PHI   1 31 ASP C   1 32 THR N   1 32 THR CA  1 32 THR C   -130.00  -41.10  -64.85  -66.37  -67.41    .  . 0 "[    .    1    .    2]" 
        75 PSI   1 32 THR N   1 32 THR CA  1 32 THR C   1 33 GLU N    -69.90   30.00  -25.75  -31.87  -19.92    .  . 0 "[    .    1    .    2]" 
        76 PHI   1 32 THR C   1 33 GLU N   1 33 GLU CA  1 33 GLU C   -120.00  -80.00 -111.96 -100.72 -113.68 0.15  5 0 "[    .    1    .    2]" 
        77 PSI   1 33 GLU N   1 33 GLU CA  1 33 GLU C   1 34 CYS N    -40.00    0.00  -21.61  -37.56    0.02 0.02  9 0 "[    .    1    .    2]" 
        78 PHI   1 35 LYS C   1 36 PHE N   1 36 PHE CA  1 36 PHE C   -155.00 -100.00 -138.04 -142.39 -132.22    .  . 0 "[    .    1    .    2]" 
        79 PSI   1 36 PHE N   1 36 PHE CA  1 36 PHE C   1 37 ALA N    140.00  180.00 -179.88 -179.92 -179.93 0.29 19 0 "[    .    1    .    2]" 
        80 PHI   1 36 PHE C   1 37 ALA N   1 37 ALA CA  1 37 ALA C   -140.00  -90.00  -89.79  -89.77  -89.78 0.40  7 0 "[    .    1    .    2]" 
        81 PSI   1 37 ALA N   1 37 ALA CA  1 37 ALA C   1 38 HIS N    120.00  150.00  146.76  146.87  146.50    .  . 0 "[    .    1    .    2]" 
        82 PHI   1 37 ALA C   1 38 HIS N   1 38 HIS CA  1 38 HIS C   -120.00  -60.00 -120.13 -120.12 -120.13 0.28  7 0 "[    .    1    .    2]" 
        83 PSI   1 38 HIS N   1 38 HIS CA  1 38 HIS C   1 39 PRO N     40.00  160.00   74.07   66.41   81.21    .  . 0 "[    .    1    .    2]" 
        84 PSI   1 39 PRO N   1 39 PRO CA  1 39 PRO C   1 40 SER N    135.00  165.00  165.12  165.11  165.10 0.22 11 0 "[    .    1    .    2]" 
        85 PHI   1 39 PRO C   1 40 SER N   1 40 SER CA  1 40 SER C   -105.44  -76.96 -102.35  -96.30  -98.27 0.21  3 0 "[    .    1    .    2]" 
        86 PSI   1 40 SER N   1 40 SER CA  1 40 SER C   1 41 LYS N    134.72 -177.71  169.30  160.53  177.36    .  . 0 "[    .    1    .    2]" 
        87 PHI   1 40 SER C   1 41 LYS N   1 41 LYS CA  1 41 LYS C    -85.13  -55.66  -58.17  -60.40  -62.53 0.08  4 0 "[    .    1    .    2]" 
        88 PSI   1 41 LYS N   1 41 LYS CA  1 41 LYS C   1 42 SER N    -38.10  -17.85  -24.77  -31.66  -19.15    .  . 0 "[    .    1    .    2]" 
        89 PHI   1 41 LYS C   1 42 SER N   1 42 SER CA  1 42 SER C    -91.64  -60.27  -83.71  -91.66  -73.63 0.02 13 0 "[    .    1    .    2]" 
        90 PSI   1 42 SER N   1 42 SER CA  1 42 SER C   1 43 CYS N    -40.13   -3.51  -16.22  -14.96  -15.97    .  . 0 "[    .    1    .    2]" 
        91 PHI   1 43 CYS C   1 44 GLN N   1 44 GLN CA  1 44 GLN C   -120.00  -60.00  -77.68  -75.52  -76.28    .  . 0 "[    .    1    .    2]" 
        92 PSI   1 44 GLN N   1 44 GLN CA  1 44 GLN C   1 45 VAL N     40.00  150.00   53.10   39.95   64.40 0.05  2 0 "[    .    1    .    2]" 
        93 PHI   1 44 GLN C   1 45 VAL N   1 45 VAL CA  1 45 VAL C   -115.00  -55.00  -68.00  -75.26  -59.42    .  . 0 "[    .    1    .    2]" 
        94 PSI   1 45 VAL N   1 45 VAL CA  1 45 VAL C   1 46 GLU N    110.00  145.00  129.89  118.91  138.01    .  . 0 "[    .    1    .    2]" 
        95 PHI   1 45 VAL C   1 46 GLU N   1 46 GLU CA  1 46 GLU C   -155.00  -90.00 -151.97 -154.99 -144.38    .  . 0 "[    .    1    .    2]" 
        96 PSI   1 46 GLU N   1 46 GLU CA  1 46 GLU C   1 47 ASN N    115.00  160.00  135.45  138.96  136.19    .  . 0 "[    .    1    .    2]" 
        97 PHI   1 46 GLU C   1 47 ASN N   1 47 ASN CA  1 47 ASN C     40.00   60.00   43.98   43.80   43.38 0.05 10 0 "[    .    1    .    2]" 
        98 PSI   1 47 ASN N   1 47 ASN CA  1 47 ASN C   1 48 GLY N     32.00   52.00   36.32   31.95   43.43 0.05  2 0 "[    .    1    .    2]" 
        99 PHI   1 47 ASN C   1 48 GLY N   1 48 GLY CA  1 48 GLY C     75.00  100.00   81.34   86.82   84.46 0.07  4 0 "[    .    1    .    2]" 
       100 PSI   1 48 GLY N   1 48 GLY CA  1 48 GLY C   1 49 ARG N      0.00   40.00   14.79    9.96   24.42    .  . 0 "[    .    1    .    2]" 
       101 PHI   1 48 GLY C   1 49 ARG N   1 49 ARG CA  1 49 ARG C   -155.00  -90.00 -133.50 -143.37 -126.22    .  . 0 "[    .    1    .    2]" 
       102 PSI   1 49 ARG N   1 49 ARG CA  1 49 ARG C   1 50 VAL N    135.00  170.00  165.60  164.51  162.51 0.12  7 0 "[    .    1    .    2]" 
       103 PHI   1 49 ARG C   1 50 VAL N   1 50 VAL CA  1 50 VAL C   -150.00 -120.00 -139.33 -141.64 -144.65    .  . 0 "[    .    1    .    2]" 
       104 PSI   1 50 VAL N   1 50 VAL CA  1 50 VAL C   1 51 ILE N    120.00  160.00  139.00  140.58  140.56    .  . 0 "[    .    1    .    2]" 
       105 PHI   1 50 VAL C   1 51 ILE N   1 51 ILE CA  1 51 ILE C   -120.00  -40.00  -75.49  -79.19  -72.52    .  . 0 "[    .    1    .    2]" 
       106 PSI   1 51 ILE N   1 51 ILE CA  1 51 ILE C   1 52 ALA N    110.00  135.00  127.50  128.23  128.10    .  . 0 "[    .    1    .    2]" 
       107 PHI   1 51 ILE C   1 52 ALA N   1 52 ALA CA  1 52 ALA C   -131.00  -75.00  -82.53  -80.51  -81.82 0.14  7 0 "[    .    1    .    2]" 
       108 PSI   1 52 ALA N   1 52 ALA CA  1 52 ALA C   1 53 CYS N    120.00  152.00  151.12  148.81  152.11 0.11 11 0 "[    .    1    .    2]" 
       109 PHI   1 53 CYS C   1 54 PHE N   1 54 PHE CA  1 54 PHE C    -75.00  -48.00  -56.59  -59.80  -51.96    .  . 0 "[    .    1    .    2]" 
       110 PSI   1 54 PHE N   1 54 PHE CA  1 54 PHE C   1 55 ASP N    -60.00  -20.00  -41.96  -46.43  -47.24    .  . 0 "[    .    1    .    2]" 
       111 PHI   1 54 PHE C   1 55 ASP N   1 55 ASP CA  1 55 ASP C    -75.00  -55.00  -63.98  -74.32  -54.90 0.10  7 0 "[    .    1    .    2]" 
       112 PSI   1 55 ASP N   1 55 ASP CA  1 55 ASP C   1 56 SER N    -50.00  -30.00  -38.23  -40.00  -40.48 0.09 14 0 "[    .    1    .    2]" 
       113 PHI   1 55 ASP C   1 56 SER N   1 56 SER CA  1 56 SER C    -76.00  -56.00  -69.00  -67.22  -67.91 0.04  7 0 "[    .    1    .    2]" 
       114 PSI   1 56 SER N   1 56 SER CA  1 56 SER C   1 57 LEU N    -50.00  -30.00  -39.44  -40.51  -40.78    .  . 0 "[    .    1    .    2]" 
       115 PHI   1 56 SER C   1 57 LEU N   1 57 LEU CA  1 57 LEU C    -75.00  -50.00  -59.75  -62.46  -57.52    .  . 0 "[    .    1    .    2]" 
       116 PSI   1 57 LEU N   1 57 LEU CA  1 57 LEU C   1 58 LYS N    -33.00  -13.00  -31.33  -33.14  -23.12 0.14 12 0 "[    .    1    .    2]" 
       117 PHI   1 57 LEU C   1 58 LYS N   1 58 LYS CA  1 58 LYS C   -105.00  -70.00  -84.97  -81.62  -83.59    .  . 0 "[    .    1    .    2]" 
       118 PSI   1 58 LYS N   1 58 LYS CA  1 58 LYS C   1 59 GLY N    -10.00   20.00   -1.11  -10.04    9.24 0.04 12 0 "[    .    1    .    2]" 
       119 PHI   1 58 LYS C   1 59 GLY N   1 59 GLY CA  1 59 GLY C     50.00   90.00   88.60   90.04   90.01 0.12 20 0 "[    .    1    .    2]" 
       120 PSI   1 59 GLY N   1 59 GLY CA  1 59 GLY C   1 60 ARG N      0.00   45.00    9.08    4.33   25.98    .  . 0 "[    .    1    .    2]" 
       121 PHI   1 61 CYS C   1 62 SER N   1 62 SER CA  1 62 SER C   -160.00  -70.00 -140.28 -155.91 -112.17    .  . 0 "[    .    1    .    2]" 
       122 PSI   1 62 SER N   1 62 SER CA  1 62 SER C   1 63 ARG N     20.00  150.00   22.63   19.90   19.87 0.26 13 0 "[    .    1    .    2]" 
       123 PHI   1 62 SER C   1 63 ARG N   1 63 ARG CA  1 63 ARG C   -130.00  -30.00  -93.76  -67.05  -71.36 0.20  9 0 "[    .    1    .    2]" 
       124 PSI   1 63 ARG N   1 63 ARG CA  1 63 ARG C   1 64 GLU N    100.00  180.00  143.25  113.62  179.79    .  . 0 "[    .    1    .    2]" 
       125 PHI   1 66 CYS C   1 67 LYS N   1 67 LYS CA  1 67 LYS C   -134.00  -54.00 -125.57 -134.20  -77.37 0.20 16 0 "[    .    1    .    2]" 
       126 PHI   1 67 LYS C   1 68 TYR N   1 68 TYR CA  1 68 TYR C   -150.00  -90.00 -101.64 -129.61  -89.93 0.07 18 0 "[    .    1    .    2]" 
       127 PSI   1 68 TYR N   1 68 TYR CA  1 68 TYR C   1 69 LEU N    130.00  170.00  169.01  166.75  170.24 0.24 13 0 "[    .    1    .    2]" 
       128 PHI   1 68 TYR C   1 69 LEU N   1 69 LEU CA  1 69 LEU C   -145.00  -85.00  -84.68  -84.63  -84.67 0.47 19 0 "[    .    1    .    2]" 
       129 PSI   1 69 LEU N   1 69 LEU CA  1 69 LEU C   1 70 HIS N    100.00  135.00  135.13  135.29  135.22 0.29  2 0 "[    .    1    .    2]" 
       130 PHI   1 69 LEU C   1 70 HIS N   1 70 HIS CA  1 70 HIS C   -120.00  -70.00 -100.09  -98.18  -99.05    .  . 0 "[    .    1    .    2]" 
       131 PSI   1 70 HIS N   1 70 HIS CA  1 70 HIS C   1 71 PRO N    105.00  156.00  104.76  104.73  104.72 0.39 11 0 "[    .    1    .    2]" 
       132 PSI   1 71 PRO N   1 71 PRO CA  1 71 PRO C   1 72 PRO N    135.00  165.00  152.39  135.07  162.42    .  . 0 "[    .    1    .    2]" 
       133 PSI   1 73 PRO N   1 73 PRO CA  1 73 PRO C   1 74 HIS N    -46.00  -26.00  -42.43  -41.14  -41.50    .  . 0 "[    .    1    .    2]" 
       134 PHI   1 73 PRO C   1 74 HIS N   1 74 HIS CA  1 74 HIS C    -98.00  -42.00  -65.72  -68.14  -61.74    .  . 0 "[    .    1    .    2]" 
       135 PSI   1 74 HIS N   1 74 HIS CA  1 74 HIS C   1 75 LEU N    -66.00    6.00  -42.36  -32.62  -37.60    .  . 0 "[    .    1    .    2]" 
       136 PHI   1 74 HIS C   1 75 LEU N   1 75 LEU CA  1 75 LEU C    -86.00  -46.00  -74.67  -86.03  -61.87 0.03 18 0 "[    .    1    .    2]" 
       137 PSI   1 75 LEU N   1 75 LEU CA  1 75 LEU C   1 76 LYS N    -60.00  -20.00  -32.41  -28.82  -31.44    .  . 0 "[    .    1    .    2]" 
       138 PHI   1 75 LEU C   1 76 LYS N   1 76 LYS CA  1 76 LYS C    -83.00  -43.00  -59.39  -55.37  -57.41    .  . 0 "[    .    1    .    2]" 
       139 PSI   1 76 LYS N   1 76 LYS CA  1 76 LYS C   1 77 THR N    -61.00  -21.00  -41.90  -40.34  -42.28    .  . 0 "[    .    1    .    2]" 
       140 PHI   1 76 LYS C   1 77 THR N   1 77 THR CA  1 77 THR C    -80.00  -40.00  -63.68  -60.55  -62.17    .  . 0 "[    .    1    .    2]" 
       141 PSI   1 77 THR N   1 77 THR CA  1 77 THR C   1 78 GLN N    -63.00  -19.00  -43.64  -46.21  -41.59    .  . 0 "[    .    1    .    2]" 
       142 PHI   1 77 THR C   1 78 GLN N   1 78 GLN CA  1 78 GLN C    -81.00  -41.00  -62.33  -68.39  -60.42    .  . 0 "[    .    1    .    2]" 
       143 PSI   1 78 GLN N   1 78 GLN CA  1 78 GLN C   1 79 LEU N    -63.00  -23.00  -38.46  -37.33  -37.82    .  . 0 "[    .    1    .    2]" 
       144 PHI   1 78 GLN C   1 79 LEU N   1 79 LEU CA  1 79 LEU C    -81.00  -41.00  -63.25  -63.59  -63.89    .  . 0 "[    .    1    .    2]" 
       145 PSI   1 79 LEU N   1 79 LEU CA  1 79 LEU C   1 80 GLU N    -63.00  -17.00  -47.45  -44.35  -45.42    .  . 0 "[    .    1    .    2]" 
       146 PHI   1 79 LEU C   1 80 GLU N   1 80 GLU CA  1 80 GLU C    -85.00  -45.00  -61.26  -66.70  -56.49    .  . 0 "[    .    1    .    2]" 
       147 PSI   1 80 GLU N   1 80 GLU CA  1 80 GLU C   1 81 ILE N    -62.00  -22.00  -39.49  -45.89  -30.08    .  . 0 "[    .    1    .    2]" 
       148 PHI   1 80 GLU C   1 81 ILE N   1 81 ILE CA  1 81 ILE C    -82.00  -42.00  -63.68  -66.30  -61.31    .  . 0 "[    .    1    .    2]" 
       149 PSI   1 81 ILE N   1 81 ILE CA  1 81 ILE C   1 82 ASN N    -61.00  -21.00  -46.26  -48.91  -42.33    .  . 0 "[    .    1    .    2]" 
       150 PHI   1 81 ILE C   1 82 ASN N   1 82 ASN CA  1 82 ASN C    -84.00  -44.00  -60.88  -60.80  -61.69    .  . 0 "[    .    1    .    2]" 
       151 PSI   1 82 ASN N   1 82 ASN CA  1 82 ASN C   1 83 GLY N    -59.00  -19.00  -41.56  -47.76  -32.77    .  . 0 "[    .    1    .    2]" 
       152 PHI   1 82 ASN C   1 83 GLY N   1 83 GLY CA  1 83 GLY C    -84.00  -44.00  -62.96  -63.06  -64.50    .  . 0 "[    .    1    .    2]" 
       153 PSI   1 83 GLY N   1 83 GLY CA  1 83 GLY C   1 84 ARG N    -60.00  -20.00  -53.59  -60.13  -44.93 0.13 14 0 "[    .    1    .    2]" 
       154 PHI   1 83 GLY C   1 84 ARG N   1 84 ARG CA  1 84 ARG C    -84.00  -44.00  -59.55  -65.43  -51.51    .  . 0 "[    .    1    .    2]" 
       155 PSI   1 84 ARG N   1 84 ARG CA  1 84 ARG C   1 85 ASN N    -64.00  -24.00  -40.32  -52.03  -25.54    .  . 0 "[    .    1    .    2]" 
       156 PHI   1 84 ARG C   1 85 ASN N   1 85 ASN CA  1 85 ASN C    -82.00  -42.00  -60.46  -70.23  -54.74    .  . 0 "[    .    1    .    2]" 
       157 PSI   1 85 ASN N   1 85 ASN CA  1 85 ASN C   1 86 ASN N    -56.00   -8.00  -37.55  -48.45  -26.68    .  . 0 "[    .    1    .    2]" 
       158 PHI   1 85 ASN C   1 86 ASN N   1 86 ASN CA  1 86 ASN C   -104.00  -60.00  -70.51  -71.49  -73.57    .  . 0 "[    .    1    .    2]" 
       159 PSI   1 86 ASN N   1 86 ASN CA  1 86 ASN C   1 87 LEU N    -60.00    8.00  -32.26  -18.04  -24.84    .  . 0 "[    .    1    .    2]" 
       160 PHI   1 86 ASN C   1 87 LEU N   1 87 LEU CA  1 87 LEU C   -100.00  -55.10  -68.65 -100.11  -56.33 0.11 18 0 "[    .    1    .    2]" 
       161 PSI   1 87 LEU N   1 87 LEU CA  1 87 LEU C   1 88 ILE N    -51.20    0.00  -32.55  -25.00  -32.16 0.43 18 0 "[    .    1    .    2]" 
       162 PHI   1 87 LEU C   1 88 ILE N   1 88 ILE CA  1 88 ILE C   -101.20  -64.20  -68.64  -87.77  -64.07 0.13 18 0 "[    .    1    .    2]" 
       163 PSI   1 88 ILE N   1 88 ILE CA  1 88 ILE C   1 89 GLN N    -39.30    2.20  -29.04  -26.23  -27.05 0.32 16 0 "[    .    1    .    2]" 
       164 PHI   1 89 GLN C   1 90 GLN N   1 90 GLN CA  1 90 GLN C    -70.00  -50.00  -53.86  -50.34  -50.45 0.19 15 0 "[    .    1    .    2]" 
       165 PSI   1 90 GLN N   1 90 GLN CA  1 90 GLN C   1 91 LYS N    -48.30  -21.80  -27.29  -27.57  -28.95 0.06  5 0 "[    .    1    .    2]" 
       166 PHI   1 90 GLN C   1 91 LYS N   1 91 LYS CA  1 91 LYS C    -88.60  -45.00  -64.61  -59.63  -61.81    .  . 0 "[    .    1    .    2]" 
       167 PSI   1 91 LYS N   1 91 LYS CA  1 91 LYS C   1 92 ASN N    -46.60    0.00  -24.04  -30.25  -13.44    .  . 0 "[    .    1    .    2]" 
       168 CHI1  1 16 LEU N   1 16 LEU CA  1 16 LEU CB  1 16 LEU CG   -80.00  -40.00  -73.52  -73.59  -74.36    .  . 0 "[    .    1    .    2]" 
       169 CHI2  1 16 LEU CA  1 16 LEU CB  1 16 LEU CG  1 16 LEU CD1  160.00 -160.00  174.07  166.73  179.70    .  . 0 "[    .    1    .    2]" 
       170 CHI1  1 18 VAL N   1 18 VAL CA  1 18 VAL CB  1 18 VAL CG1  160.00 -160.00  178.41  175.40 -179.19    .  . 0 "[    .    1    .    2]" 
       171 CHI1  1 50 VAL N   1 50 VAL CA  1 50 VAL CB  1 50 VAL CG1  160.00 -160.00 -159.83 -159.91 -159.73 0.27  6 0 "[    .    1    .    2]" 
    stop_

save_



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