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
440918 2k9s 16001 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2k9s


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              207
    _TA_constraint_stats_list.Viol_count                    1810
    _TA_constraint_stats_list.Viol_total                    28337.64
    _TA_constraint_stats_list.Viol_max                      10.65
    _TA_constraint_stats_list.Viol_rms                      0.89
    _TA_constraint_stats_list.Viol_average_all_restraints   0.34
    _TA_constraint_stats_list.Viol_average_violations_only  0.78
    _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 PSI 1   2 ASP N 1   2 ASP CA 1   2 ASP C  1   3 ASN N   93.30  148.20  147.99  144.59  149.16  0.96  7  0 "[    .    1    .    2]" 
         2 PHI 1   1 MET C 1   2 ASP N  1   2 ASP CA 1   2 ASP C -121.20  -78.80  -81.40  -78.96  -79.08  0.32 14  0 "[    .    1    .    2]" 
         3 PSI 1   3 ASN N 1   3 ASN CA 1   3 ASN C  1   4 ARG N  -45.50  -22.70  -39.14  -45.67  -27.29  0.17 18  0 "[    .    1    .    2]" 
         4 PHI 1   2 ASP C 1   3 ASN N  1   3 ASN CA 1   3 ASN C  -64.50  -54.10  -57.43  -65.11  -53.47  0.63 14  0 "[    .    1    .    2]" 
         5 PSI 1   4 ARG N 1   4 ARG CA 1   4 ARG C  1   5 VAL N  -48.70  -34.60  -45.73  -50.21  -34.44  1.51  7  0 "[    .    1    .    2]" 
         6 PHI 1   3 ASN C 1   4 ARG N  1   4 ARG CA 1   4 ARG C  -70.60  -55.80  -65.05  -70.96  -55.71  0.36 19  0 "[    .    1    .    2]" 
         7 PSI 1   5 VAL N 1   5 VAL CA 1   5 VAL C  1   6 ARG N  -50.20  -38.70  -38.51  -37.88  -38.18  1.40 19  0 "[    .    1    .    2]" 
         8 PHI 1   4 ARG C 1   5 VAL N  1   5 VAL CA 1   5 VAL C  -69.00  -57.50  -66.38  -68.12  -68.82  1.20  7  0 "[    .    1    .    2]" 
         9 PSI 1   6 ARG N 1   6 ARG CA 1   6 ARG C  1   7 GLU N  -45.70  -34.90  -37.28  -34.50  -34.57  0.54 14  0 "[    .    1    .    2]" 
        10 PHI 1   5 VAL C 1   6 ARG N  1   6 ARG CA 1   6 ARG C  -68.50  -55.00  -58.62  -56.44  -58.47  0.89 19  0 "[    .    1    .    2]" 
        11 PSI 1   7 GLU N 1   7 GLU CA 1   7 GLU C  1   8 ALA N  -48.40  -34.20  -38.06  -47.41  -32.98  1.22 19  0 "[    .    1    .    2]" 
        12 PHI 1   6 ARG C 1   7 GLU N  1   7 GLU CA 1   7 GLU C  -71.00  -62.40  -65.51  -62.14  -62.14  1.39 19  0 "[    .    1    .    2]" 
        13 PSI 1   8 ALA N 1   8 ALA CA 1   8 ALA C  1   9 CYS N  -46.20  -36.50  -38.90  -35.71  -35.84  1.38 18  0 "[    .    1    .    2]" 
        14 PHI 1   7 GLU C 1   8 ALA N  1   8 ALA CA 1   8 ALA C  -76.40  -58.70  -63.16  -73.92  -58.51  0.19  8  0 "[    .    1    .    2]" 
        15 PSI 1   9 CYS N 1   9 CYS CA 1   9 CYS C  1  10 GLN N  -46.50  -34.30  -33.91  -36.80  -31.20  3.10 19  0 "[    .    1    .    2]" 
        16 PHI 1   8 ALA C 1   9 CYS N  1   9 CYS CA 1   9 CYS C  -71.70  -60.40  -60.89  -59.13  -59.42  1.40  2  0 "[    .    1    .    2]" 
        17 PSI 1  10 GLN N 1  10 GLN CA 1  10 GLN C  1  11 TYR N  -47.00  -35.70  -41.37  -47.07  -35.50  0.20 19  0 "[    .    1    .    2]" 
        18 PHI 1   9 CYS C 1  10 GLN N  1  10 GLN CA 1  10 GLN C  -68.50  -61.00  -63.24  -68.52  -60.77  0.23  1  0 "[    .    1    .    2]" 
        19 PSI 1  11 TYR N 1  11 TYR CA 1  11 TYR C  1  12 ILE N  -48.40  -35.80  -45.22  -48.49  -48.54  0.23  8  0 "[    .    1    .    2]" 
        20 PHI 1  10 GLN C 1  11 TYR N  1  11 TYR CA 1  11 TYR C  -69.40  -62.40  -69.10  -69.83  -64.70  0.43  2  0 "[    .    1    .    2]" 
        21 PSI 1  12 ILE N 1  12 ILE CA 1  12 ILE C  1  13 SER N  -46.50  -35.70  -38.69  -44.73  -35.74     .  .  0 "[    .    1    .    2]" 
        22 PHI 1  11 TYR C 1  12 ILE N  1  12 ILE CA 1  12 ILE C  -69.10  -61.20  -61.92  -61.32  -61.40  0.09 17  0 "[    .    1    .    2]" 
        23 PSI 1  13 SER N 1  13 SER CA 1  13 SER C  1  14 ASP N  -44.80  -34.00  -40.71  -42.00  -43.36  0.09 17  0 "[    .    1    .    2]" 
        24 PHI 1  12 ILE C 1  13 SER N  1  13 SER CA 1  13 SER C  -66.80  -57.10  -60.37  -66.77  -57.00  0.10  4  0 "[    .    1    .    2]" 
        25 PSI 1  14 ASP N 1  14 ASP CA 1  14 ASP C  1  15 HIS N  -39.00  -17.70  -29.62  -31.59  -33.84     .  .  0 "[    .    1    .    2]" 
        26 PHI 1  13 SER C 1  14 ASP N  1  14 ASP CA 1  14 ASP C  -67.40  -60.00  -66.52  -66.82  -67.26  0.55  6  0 "[    .    1    .    2]" 
        27 PSI 1  15 HIS N 1  15 HIS CA 1  15 HIS C  1  16 LEU N  -19.50   17.80   17.94   17.95   17.93  0.25 20  0 "[    .    1    .    2]" 
        28 PHI 1  14 ASP C 1  15 HIS N  1  15 HIS CA 1  15 HIS C -111.50  -78.10 -100.07 -110.92  -93.69     .  .  0 "[    .    1    .    2]" 
        29 PSI 1  16 LEU N 1  16 LEU CA 1  16 LEU C  1  17 ALA N  -41.70  -24.90  -29.09  -26.24  -26.43     .  .  0 "[    .    1    .    2]" 
        30 PHI 1  15 HIS C 1  16 LEU N  1  16 LEU CA 1  16 LEU C  -68.30  -50.00  -59.15  -58.77  -59.93     .  .  0 "[    .    1    .    2]" 
        31 PSI 1  17 ALA N 1  17 ALA CA 1  17 ALA C  1  18 ASP N  -20.90    6.30  -20.99  -20.99  -21.00  0.19  3  0 "[    .    1    .    2]" 
        32 PHI 1  16 LEU C 1  17 ALA N  1  17 ALA CA 1  17 ALA C  -93.90  -71.80  -90.03  -92.90  -93.35  0.05  7  0 "[    .    1    .    2]" 
        33 PSI 1  18 ASP N 1  18 ASP CA 1  18 ASP C  1  19 SER N  113.70  161.30  145.20  131.22  154.53     .  .  0 "[    .    1    .    2]" 
        34 PHI 1  17 ALA C 1  18 ASP N  1  18 ASP CA 1  18 ASP C  -84.20  -61.90  -65.29  -81.47  -61.88  0.02 20  0 "[    .    1    .    2]" 
        35 PSI 1  19 SER N 1  19 SER CA 1  19 SER C  1  20 ASN N  -51.50    4.00  -49.14  -51.61  -27.74  0.11 19  0 "[    .    1    .    2]" 
        36 PHI 1  18 ASP C 1  19 SER N  1  19 SER CA 1  19 SER C -101.20  -59.20  -87.47  -82.08  -86.21     .  .  0 "[    .    1    .    2]" 
        37 PSI 1  20 ASN N 1  20 ASN CA 1  20 ASN C  1  21 PHE N   94.30  165.20  103.40  105.63  103.71  0.08 17  0 "[    .    1    .    2]" 
        38 PHI 1  19 SER C 1  20 ASN N  1  20 ASN CA 1  20 ASN C -116.00  -60.10  -80.51  -78.89  -81.10     .  .  0 "[    .    1    .    2]" 
        39 PSI 1  21 PHE N 1  21 PHE CA 1  21 PHE C  1  22 ASP N  109.30  140.40  126.60  108.58  136.94  0.72 20  0 "[    .    1    .    2]" 
        40 PHI 1  20 ASN C 1  21 PHE N  1  21 PHE CA 1  21 PHE C -118.90  -68.70 -104.95 -118.47  -80.26     .  .  0 "[    .    1    .    2]" 
        41 PSI 1  22 ASP N 1  22 ASP CA 1  22 ASP C  1  23 ILE N   93.60  141.40  112.46  132.68  123.38     .  .  0 "[    .    1    .    2]" 
        42 PHI 1  21 PHE C 1  22 ASP N  1  22 ASP CA 1  22 ASP C -115.80  -80.60 -116.10 -116.85 -115.94  1.05 20  0 "[    .    1    .    2]" 
        43 PSI 1  23 ILE N 1  23 ILE CA 1  23 ILE C  1  24 ALA N  -44.80  -14.90  -26.43  -23.14  -23.74     .  .  0 "[    .    1    .    2]" 
        44 PHI 1  22 ASP C 1  23 ILE N  1  23 ILE CA 1  23 ILE C  -69.10  -55.00  -60.68  -69.30  -54.93  0.20  2  0 "[    .    1    .    2]" 
        45 PSI 1  24 ALA N 1  24 ALA CA 1  24 ALA C  1  25 SER N  -44.90  -26.40  -43.15  -44.89  -44.90  0.13  5  0 "[    .    1    .    2]" 
        46 PHI 1  23 ILE C 1  24 ALA N  1  24 ALA CA 1  24 ALA C  -70.20  -58.80  -60.85  -58.70  -58.74  0.10  2  0 "[    .    1    .    2]" 
        47 PSI 1  25 SER N 1  25 SER CA 1  25 SER C  1  26 VAL N  -47.20  -29.60  -30.62  -36.45  -29.27  0.33 16  0 "[    .    1    .    2]" 
        48 PHI 1  24 ALA C 1  25 SER N  1  25 SER CA 1  25 SER C  -76.40  -63.00  -64.06  -70.12  -62.81  0.19 14  0 "[    .    1    .    2]" 
        49 PSI 1  26 VAL N 1  26 VAL CA 1  26 VAL C  1  27 ALA N  -52.10  -37.30  -45.73  -42.23  -44.41     .  .  0 "[    .    1    .    2]" 
        50 PHI 1  25 SER C 1  26 VAL N  1  26 VAL CA 1  26 VAL C  -69.90  -55.10  -67.71  -70.80  -63.49  0.90 16  0 "[    .    1    .    2]" 
        51 PSI 1  27 ALA N 1  27 ALA CA 1  27 ALA C  1  28 GLN N  -48.60  -35.10  -43.22  -49.46  -34.99  0.86 16  0 "[    .    1    .    2]" 
        52 PHI 1  26 VAL C 1  27 ALA N  1  27 ALA CA 1  27 ALA C  -67.10  -54.90  -67.05  -66.82  -66.97  0.76  7  0 "[    .    1    .    2]" 
        53 PSI 1  28 GLN N 1  28 GLN CA 1  28 GLN C  1  29 HIS N  -45.10  -37.60  -36.92  -37.07  -37.13  2.27 16  0 "[    .    1    .    2]" 
        54 PHI 1  27 ALA C 1  28 GLN N  1  28 GLN CA 1  28 GLN C  -69.10  -58.90  -62.33  -62.12  -62.54     .  .  0 "[    .    1    .    2]" 
        55 PSI 1  29 HIS N 1  29 HIS CA 1  29 HIS C  1  30 VAL N  -34.50  -17.40  -34.69  -34.82  -34.86  0.43 15  0 "[    .    1    .    2]" 
        56 PHI 1  28 GLN C 1  29 HIS N  1  29 HIS CA 1  29 HIS C  -76.80  -58.30  -57.95  -57.88  -57.93  1.58  6  0 "[    .    1    .    2]" 
        57 PSI 1  30 VAL N 1  30 VAL CA 1  30 VAL C  1  31 CYS N   -0.50   26.10   17.52   18.13   17.06     .  .  0 "[    .    1    .    2]" 
        58 PHI 1  29 HIS C 1  30 VAL N  1  30 VAL CA 1  30 VAL C -114.30  -85.40  -97.79 -100.91  -93.73     .  .  0 "[    .    1    .    2]" 
        59 PSI 1  31 CYS N 1  31 CYS CA 1  31 CYS C  1  32 LEU N   36.80   46.60   37.63   36.43   41.23  0.37 12  0 "[    .    1    .    2]" 
        60 PHI 1  30 VAL C 1  31 CYS N  1  31 CYS CA 1  31 CYS C   51.50   61.70   51.46   51.20   51.63  0.30 13  0 "[    .    1    .    2]" 
        61 PSI 1  32 LEU N 1  32 LEU CA 1  32 LEU C  1  33 SER N  137.60  164.00  163.62  164.17  164.10  0.42 20  0 "[    .    1    .    2]" 
        62 PHI 1  31 CYS C 1  32 LEU N  1  32 LEU CA 1  32 LEU C -140.90 -105.20 -138.67 -136.63 -137.38  0.27  4  0 "[    .    1    .    2]" 
        63 PSI 1  33 SER N 1  33 SER CA 1  33 SER C  1  34 PRO N  134.40  177.10  159.32  157.24  160.43     .  .  0 "[    .    1    .    2]" 
        64 PHI 1  32 LEU C 1  33 SER N  1  33 SER CA 1  33 SER C -100.60  -62.80  -77.80  -83.63  -70.10     .  .  0 "[    .    1    .    2]" 
        65 PSI 1  34 PRO N 1  34 PRO CA 1  34 PRO C  1  35 SER N  -39.00  -28.40  -38.27  -36.58  -38.55  0.60  4  0 "[    .    1    .    2]" 
        66 PSI 1  35 SER N 1  35 SER CA 1  35 SER C  1  36 ARG N  -46.70  -28.70  -46.39  -46.63  -46.74  0.44 19  0 "[    .    1    .    2]" 
        67 PHI 1  34 PRO C 1  35 SER N  1  35 SER CA 1  35 SER C  -67.30  -58.20  -66.86  -67.14  -67.33  0.59 12  0 "[    .    1    .    2]" 
        68 PSI 1  36 ARG N 1  36 ARG CA 1  36 ARG C  1  37 LEU N  -44.80  -35.20  -41.72  -39.11  -39.94  0.11 12  0 "[    .    1    .    2]" 
        69 PHI 1  35 SER C 1  36 ARG N  1  36 ARG CA 1  36 ARG C  -72.40  -60.70  -69.25  -72.75  -63.59  0.35 19  0 "[    .    1    .    2]" 
        70 PSI 1  37 LEU N 1  37 LEU CA 1  37 LEU C  1  38 SER N  -43.90  -35.80  -44.24  -45.16  -39.27  1.26  9  0 "[    .    1    .    2]" 
        71 PHI 1  36 ARG C 1  37 LEU N  1  37 LEU CA 1  37 LEU C  -69.40  -59.10  -66.98  -69.49  -59.87  0.09  8  0 "[    .    1    .    2]" 
        72 PSI 1  38 SER N 1  38 SER CA 1  38 SER C  1  39 HIS N  -46.70  -37.10  -39.43  -41.46  -37.17     .  .  0 "[    .    1    .    2]" 
        73 PHI 1  37 LEU C 1  38 SER N  1  38 SER CA 1  38 SER C  -65.80  -60.90  -59.96  -60.71  -59.23  1.67 19  0 "[    .    1    .    2]" 
        74 PSI 1  39 HIS N 1  39 HIS CA 1  39 HIS C  1  40 LEU N  -48.50  -39.50  -49.02  -48.52  -48.66  1.75 18  0 "[    .    1    .    2]" 
        75 PHI 1  38 SER C 1  39 HIS N  1  39 HIS CA 1  39 HIS C  -69.50  -59.80  -59.56  -59.41  -59.46  0.53 16  0 "[    .    1    .    2]" 
        76 PSI 1  40 LEU N 1  40 LEU CA 1  40 LEU C  1  41 PHE N  -47.80  -33.10  -31.71  -32.47  -30.92  2.18 13  0 "[    .    1    .    2]" 
        77 PHI 1  39 HIS C 1  40 LEU N  1  40 LEU CA 1  40 LEU C  -70.10  -60.50  -71.81  -71.48  -71.65  2.67  9  0 "[    .    1    .    2]" 
        78 PSI 1  41 PHE N 1  41 PHE CA 1  41 PHE C  1  42 ARG N  -47.90  -35.40  -49.77  -50.16  -50.23  4.28 10  0 "[    .    1    .    2]" 
        79 PHI 1  40 LEU C 1  41 PHE N  1  41 PHE CA 1  41 PHE C  -70.50  -57.60  -61.16  -58.50  -59.12     .  .  0 "[    .    1    .    2]" 
        80 PSI 1  42 ARG N 1  42 ARG CA 1  42 ARG C  1  43 GLN N  -46.10  -28.30  -27.05  -25.32  -25.48  4.42 20  0 "[    .    1    .    2]" 
        81 PHI 1  41 PHE C 1  42 ARG N  1  42 ARG CA 1  42 ARG C  -67.10  -57.60  -68.43  -68.39  -68.44  3.86 19  0 "[    .    1    .    2]" 
        82 PSI 1  43 GLN N 1  43 GLN CA 1  43 GLN C  1  44 GLN N  -44.80  -33.80  -40.28  -43.47  -32.94  0.86 17  0 "[    .    1    .    2]" 
        83 PHI 1  42 ARG C 1  43 GLN N  1  43 GLN CA 1  43 GLN C  -69.30  -58.90  -78.40  -77.97  -78.02 10.65 17 20  [************-***+***]  
        84 PSI 1  44 GLN N 1  44 GLN CA 1  44 GLN C  1  45 LEU N  -36.10  -18.00  -39.68  -39.29  -39.39  4.54 19  0 "[    .    1    .    2]" 
        85 PHI 1  43 GLN C 1  44 GLN N  1  44 GLN CA 1  44 GLN C  -78.40  -62.10  -80.71  -81.43  -81.46  3.63 18  0 "[    .    1    .    2]" 
        86 PSI 1  45 LEU N 1  45 LEU CA 1  45 LEU C  1  46 GLY N  -16.50   16.80  -16.30  -18.72   -9.63  2.22 19  0 "[    .    1    .    2]" 
        87 PHI 1  44 GLN C 1  45 LEU N  1  45 LEU CA 1  45 LEU C -111.20  -90.20  -89.22  -88.40  -88.46  2.20 20  0 "[    .    1    .    2]" 
        88 PSI 1  46 GLY N 1  46 GLY CA 1  46 GLY C  1  47 ILE N   -0.80   36.30    7.40   -2.71   10.81  1.91 19  0 "[    .    1    .    2]" 
        89 PHI 1  45 LEU C 1  46 GLY N  1  46 GLY CA 1  46 GLY C   66.30   88.30   68.53   67.96   67.85  0.26 10  0 "[    .    1    .    2]" 
        90 PSI 1  47 ILE N 1  47 ILE CA 1  47 ILE C  1  48 SER N  142.10  176.90  171.87  163.29  177.77  0.87 17  0 "[    .    1    .    2]" 
        91 PHI 1  46 GLY C 1  47 ILE N  1  47 ILE CA 1  47 ILE C -149.40 -101.90 -149.43 -150.18 -147.23  0.78 13  0 "[    .    1    .    2]" 
        92 PSI 1  48 SER N 1  48 SER CA 1  48 SER C  1  49 VAL N  141.00  172.70  148.98  140.84  158.96  0.16 18  0 "[    .    1    .    2]" 
        93 PHI 1  47 ILE C 1  48 SER N  1  48 SER CA 1  48 SER C -124.80  -79.10  -76.99  -77.31  -77.34  4.72 20  0 "[    .    1    .    2]" 
        94 PSI 1  49 VAL N 1  49 VAL CA 1  49 VAL C  1  50 LEU N  -45.10  -30.30  -41.63  -39.33  -40.07  0.40  9  0 "[    .    1    .    2]" 
        95 PHI 1  48 SER C 1  49 VAL N  1  49 VAL CA 1  49 VAL C  -68.00  -54.80  -53.96  -53.95  -53.99  2.05 18  0 "[    .    1    .    2]" 
        96 PSI 1  50 LEU N 1  50 LEU CA 1  50 LEU C  1  51 SER N  -48.40  -28.30  -36.23  -45.99  -30.16     .  .  0 "[    .    1    .    2]" 
        97 PHI 1  49 VAL C 1  50 LEU N  1  50 LEU CA 1  50 LEU C  -61.90  -54.20  -61.71  -63.78  -54.65  1.88 18  0 "[    .    1    .    2]" 
        98 PSI 1  51 SER N 1  51 SER CA 1  51 SER C  1  52 TRP N  -47.90  -33.10  -44.33  -42.86  -43.21  0.21 10  0 "[    .    1    .    2]" 
        99 PHI 1  50 LEU C 1  51 SER N  1  51 SER CA 1  51 SER C  -72.60  -61.10  -72.96  -73.14  -72.76  0.54 19  0 "[    .    1    .    2]" 
       100 PSI 1  52 TRP N 1  52 TRP CA 1  52 TRP C  1  53 ARG N  -48.90  -40.60  -41.73  -42.44  -42.49  0.60 17  0 "[    .    1    .    2]" 
       101 PHI 1  51 SER C 1  52 TRP N  1  52 TRP CA 1  52 TRP C  -68.80  -59.20  -59.20  -58.63  -58.68  2.15 18  0 "[    .    1    .    2]" 
       102 PSI 1  53 ARG N 1  53 ARG CA 1  53 ARG C  1  54 GLU N  -47.00  -37.30  -46.90  -47.58  -45.62  0.58 10  0 "[    .    1    .    2]" 
       103 PHI 1  52 TRP C 1  53 ARG N  1  53 ARG CA 1  53 ARG C  -65.10  -58.30  -59.74  -63.82  -58.19  0.11  4  0 "[    .    1    .    2]" 
       104 PSI 1  54 GLU N 1  54 GLU CA 1  54 GLU C  1  55 ASP N  -46.70  -38.10  -43.72  -46.74  -38.18  0.04  5  0 "[    .    1    .    2]" 
       105 PHI 1  53 ARG C 1  54 GLU N  1  54 GLU CA 1  54 GLU C  -65.80  -56.70  -65.23  -66.35  -57.25  0.55 18  0 "[    .    1    .    2]" 
       106 PSI 1  55 ASP N 1  55 ASP CA 1  55 ASP C  1  56 GLN N  -49.70  -37.60  -40.66  -45.68  -49.03  2.58  4  0 "[    .    1    .    2]" 
       107 PHI 1  54 GLU C 1  55 ASP N  1  55 ASP CA 1  55 ASP C  -66.50  -54.50  -59.63  -67.06  -54.48  0.56 19  0 "[    .    1    .    2]" 
       108 PSI 1  56 GLN N 1  56 GLN CA 1  56 GLN C  1  57 ARG N  -44.40  -34.80  -37.96  -45.31  -33.90  0.91  4  0 "[    .    1    .    2]" 
       109 PHI 1  55 ASP C 1  56 GLN N  1  56 GLN CA 1  56 GLN C  -70.10  -59.80  -67.87  -70.36  -59.89  0.26 10  0 "[    .    1    .    2]" 
       110 PSI 1  57 ARG N 1  57 ARG CA 1  57 ARG C  1  58 ILE N  -46.70  -40.50  -44.75  -47.18  -41.11  0.48 10  0 "[    .    1    .    2]" 
       111 PHI 1  56 GLN C 1  57 ARG N  1  57 ARG CA 1  57 ARG C  -70.90  -57.80  -60.94  -71.12  -57.52  0.28  6  0 "[    .    1    .    2]" 
       112 PSI 1  58 ILE N 1  58 ILE CA 1  58 ILE C  1  59 SER N  -45.40  -32.60  -43.14  -44.14  -44.85  0.19 19  0 "[    .    1    .    2]" 
       113 PHI 1  57 ARG C 1  58 ILE N  1  58 ILE CA 1  58 ILE C  -73.10  -59.00  -68.47  -69.47  -70.40  0.61 10  0 "[    .    1    .    2]" 
       114 PSI 1  59 SER N 1  59 SER CA 1  59 SER C  1  60 GLN N  -48.30  -31.00  -36.17  -33.62  -35.68     .  .  0 "[    .    1    .    2]" 
       115 PHI 1  58 ILE C 1  59 SER N  1  59 SER CA 1  59 SER C  -70.50  -56.70  -63.63  -70.54  -56.36  0.34  6  0 "[    .    1    .    2]" 
       116 PSI 1  60 GLN N 1  60 GLN CA 1  60 GLN C  1  61 ALA N  -44.30  -38.30  -41.50  -44.61  -38.19  0.31 12  0 "[    .    1    .    2]" 
       117 PHI 1  59 SER C 1  60 GLN N  1  60 GLN CA 1  60 GLN C  -71.40  -60.10  -70.48  -70.06  -70.71  0.81 12  0 "[    .    1    .    2]" 
       118 PSI 1  61 ALA N 1  61 ALA CA 1  61 ALA C  1  62 LYS N  -46.10  -35.60  -42.26  -43.23  -45.54  0.75 18  0 "[    .    1    .    2]" 
       119 PHI 1  60 GLN C 1  61 ALA N  1  61 ALA CA 1  61 ALA C  -70.50  -56.90  -61.83  -60.27  -61.50  0.34 17  0 "[    .    1    .    2]" 
       120 PSI 1  62 LYS N 1  62 LYS CA 1  62 LYS C  1  63 LEU N  -47.10  -33.40  -35.02  -33.30  -33.39  1.05 13  0 "[    .    1    .    2]" 
       121 PHI 1  61 ALA C 1  62 LYS N  1  62 LYS CA 1  62 LYS C  -70.60  -57.80  -69.00  -72.27  -61.03  1.67 20  0 "[    .    1    .    2]" 
       122 PSI 1  63 LEU N 1  63 LEU CA 1  63 LEU C  1  64 LEU N  -49.70  -33.90  -49.35  -50.06  -50.08  2.71  6  0 "[    .    1    .    2]" 
       123 PHI 1  62 LYS C 1  63 LEU N  1  63 LEU CA 1  63 LEU C  -67.80  -58.10  -63.84  -67.92  -67.94  0.50 13  0 "[    .    1    .    2]" 
       124 PSI 1  64 LEU N 1  64 LEU CA 1  64 LEU C  1  65 LEU N  -47.00  -38.50  -38.96  -37.51  -37.61  1.93 13  0 "[    .    1    .    2]" 
       125 PHI 1  63 LEU C 1  64 LEU N  1  64 LEU CA 1  64 LEU C  -69.90  -60.90  -70.02  -69.44  -69.64  2.14  6  0 "[    .    1    .    2]" 
       126 PSI 1  65 LEU N 1  65 LEU CA 1  65 LEU C  1  66 SER N  -48.70  -29.10  -27.64  -28.81  -28.89  4.04  8  0 "[    .    1    .    2]" 
       127 PHI 1  64 LEU C 1  65 LEU N  1  65 LEU CA 1  65 LEU C  -69.20  -55.00  -62.49  -67.93  -55.09     .  .  0 "[    .    1    .    2]" 
       128 PSI 1  66 SER N 1  66 SER CA 1  66 SER C  1  67 THR N  -39.50  -16.20  -25.91  -27.53  -31.98  0.02 16  0 "[    .    1    .    2]" 
       129 PHI 1  65 LEU C 1  66 SER N  1  66 SER CA 1  66 SER C  -90.10  -66.40  -79.08  -90.80  -68.63  0.70 17  0 "[    .    1    .    2]" 
       130 PSI 1  67 THR N 1  67 THR CA 1  67 THR C  1  68 THR N  -14.60   11.20   -1.10  -12.89    8.49     .  .  0 "[    .    1    .    2]" 
       131 PHI 1  66 SER C 1  67 THR N  1  67 THR CA 1  67 THR C -124.40  -95.30 -104.23 -122.68  -94.45  0.85  8  0 "[    .    1    .    2]" 
       132 PSI 1  68 THR N 1  68 THR CA 1  68 THR C  1  69 ARG N  144.30  173.50  164.77  161.66  160.47  0.30 12  0 "[    .    1    .    2]" 
       133 PHI 1  67 THR C 1  68 THR N  1  68 THR CA 1  68 THR C -133.10  -89.90 -132.97 -133.23 -133.27  0.26  4  0 "[    .    1    .    2]" 
       134 PSI 1  69 ARG N 1  69 ARG CA 1  69 ARG C  1  70 MET N    0.60   18.20   18.37   18.23   18.65  0.45 14  0 "[    .    1    .    2]" 
       135 PHI 1  68 THR C 1  69 ARG N  1  69 ARG CA 1  69 ARG C -122.40  -91.30 -119.68 -122.49 -104.67  0.09  2  0 "[    .    1    .    2]" 
       136 PSI 1  70 MET N 1  70 MET CA 1  70 MET C  1  71 PRO N  122.80  163.90  155.92  155.71  155.57     .  .  0 "[    .    1    .    2]" 
       137 PHI 1  69 ARG C 1  70 MET N  1  70 MET CA 1  70 MET C -121.70  -60.80  -65.99  -70.44  -73.68  0.26 14  0 "[    .    1    .    2]" 
       138 PSI 1  71 PRO N 1  71 PRO CA 1  71 PRO C  1  72 ILE N  133.10  166.40  162.41  165.68  165.12  0.11 11  0 "[    .    1    .    2]" 
       139 PSI 1  72 ILE N 1  72 ILE CA 1  72 ILE C  1  73 ALA N  -52.50  -31.00  -31.13  -35.40  -30.73  0.27 17  0 "[    .    1    .    2]" 
       140 PHI 1  71 PRO C 1  72 ILE N  1  72 ILE CA 1  72 ILE C  -63.80  -48.90  -59.24  -63.77  -51.74     .  .  0 "[    .    1    .    2]" 
       141 PSI 1  73 ALA N 1  73 ALA CA 1  73 ALA C  1  74 THR N  -47.10  -32.30  -47.21  -47.37  -47.01  0.27 11  0 "[    .    1    .    2]" 
       142 PHI 1  72 ILE C 1  73 ALA N  1  73 ALA CA 1  73 ALA C  -69.00  -57.70  -65.14  -64.72  -64.96     .  .  0 "[    .    1    .    2]" 
       143 PSI 1  74 THR N 1  74 THR CA 1  74 THR C  1  75 VAL N  -50.00  -35.70  -47.31  -50.26  -40.43  0.26  9  0 "[    .    1    .    2]" 
       144 PHI 1  73 ALA C 1  74 THR N  1  74 THR CA 1  74 THR C  -72.20  -61.70  -67.57  -70.05  -70.41     .  .  0 "[    .    1    .    2]" 
       145 PSI 1  75 VAL N 1  75 VAL CA 1  75 VAL C  1  76 GLY N  -50.60  -41.40  -40.64  -40.54  -40.60  1.71 12  0 "[    .    1    .    2]" 
       146 PHI 1  74 THR C 1  75 VAL N  1  75 VAL CA 1  75 VAL C  -67.90  -56.30  -57.75  -67.78  -56.12  0.18 11  0 "[    .    1    .    2]" 
       147 PSI 1  76 GLY N 1  76 GLY CA 1  76 GLY C  1  77 ARG N  -43.70  -33.20  -37.73  -44.29  -32.07  1.13 17  0 "[    .    1    .    2]" 
       148 PHI 1  75 VAL C 1  76 GLY N  1  76 GLY CA 1  76 GLY C  -69.50  -56.90  -56.74  -59.07  -55.65  1.25 17  0 "[    .    1    .    2]" 
       149 PSI 1  77 ARG N 1  77 ARG CA 1  77 ARG C  1  78 ASN N  -47.80  -36.00  -33.55  -34.14  -34.34  3.88  6  0 "[    .    1    .    2]" 
       150 PHI 1  76 GLY C 1  77 ARG N  1  77 ARG CA 1  77 ARG C  -69.70  -57.90  -63.10  -57.71  -57.74  1.83  9  0 "[    .    1    .    2]" 
       151 PSI 1  78 ASN N 1  78 ASN CA 1  78 ASN C  1  79 VAL N  -31.10  -16.20  -30.44  -32.28  -15.52  1.18  9  0 "[    .    1    .    2]" 
       152 PHI 1  77 ARG C 1  78 ASN N  1  78 ASN CA 1  78 ASN C  -74.20  -61.10  -62.59  -61.56  -62.09  1.74  6  0 "[    .    1    .    2]" 
       153 PSI 1  79 VAL N 1  79 VAL CA 1  79 VAL C  1  80 GLY N  -17.20   18.80   11.01   -1.85   18.74     .  .  0 "[    .    1    .    2]" 
       154 PHI 1  78 ASN C 1  79 VAL N  1  79 VAL CA 1  79 VAL C -118.80  -89.30  -97.07 -112.30  -89.26  0.04  9  0 "[    .    1    .    2]" 
       155 PSI 1  80 GLY N 1  80 GLY CA 1  80 GLY C  1  81 PHE N    0.90   27.80    7.76   -0.09   28.49  0.99 10  0 "[    .    1    .    2]" 
       156 PHI 1  79 VAL C 1  80 GLY N  1  80 GLY CA 1  80 GLY C   68.70   93.70   80.66   78.41   76.35  0.40  9  0 "[    .    1    .    2]" 
       157 PSI 1  81 PHE N 1  81 PHE CA 1  81 PHE C  1  82 ASP N  117.30  149.00  116.96  116.99  116.96  0.73 20  0 "[    .    1    .    2]" 
       158 PHI 1  80 GLY C 1  81 PHE N  1  81 PHE CA 1  81 PHE C -122.80  -82.30  -92.98 -123.80  -82.29  1.00  9  0 "[    .    1    .    2]" 
       159 PSI 1  82 ASP N 1  82 ASP CA 1  82 ASP C  1  83 ASP N  -31.40    6.40  -31.26  -31.67  -26.66  0.27 19  0 "[    .    1    .    2]" 
       160 PHI 1  81 PHE C 1  82 ASP N  1  82 ASP CA 1  82 ASP C -111.60  -78.80  -84.27  -92.03  -79.42     .  .  0 "[    .    1    .    2]" 
       161 PSI 1  83 ASP N 1  83 ASP CA 1  83 ASP C  1  84 GLN N  119.30  168.20  118.83  118.06  119.24  1.24 15  0 "[    .    1    .    2]" 
       162 PHI 1  82 ASP C 1  83 ASP N  1  83 ASP CA 1  83 ASP C -131.10  -68.30  -92.02  -93.11  -94.16     .  .  0 "[    .    1    .    2]" 
       163 PSI 1  84 GLN N 1  84 GLN CA 1  84 GLN C  1  85 LEU N  -40.60  -28.00  -38.80  -41.21  -32.40  0.61  2  0 "[    .    1    .    2]" 
       164 PHI 1  83 ASP C 1  84 GLN N  1  84 GLN CA 1  84 GLN C  -62.20  -53.60  -62.59  -63.51  -61.15  1.31 15  0 "[    .    1    .    2]" 
       165 PSI 1  85 LEU N 1  85 LEU CA 1  85 LEU C  1  86 TYR N  -47.80  -33.20  -34.18  -32.61  -32.92  0.62 11  0 "[    .    1    .    2]" 
       166 PHI 1  84 GLN C 1  85 LEU N  1  85 LEU CA 1  85 LEU C  -68.80  -62.50  -67.66  -69.62  -63.41  0.82 19  0 "[    .    1    .    2]" 
       167 PSI 1  86 TYR N 1  86 TYR CA 1  86 TYR C  1  87 PHE N  -48.40  -30.10  -45.80  -48.88  -40.52  0.48 16  0 "[    .    1    .    2]" 
       168 PHI 1  85 LEU C 1  86 TYR N  1  86 TYR CA 1  86 TYR C  -70.90  -60.20  -61.05  -64.69  -59.09  1.11 16  0 "[    .    1    .    2]" 
       169 PSI 1  87 PHE N 1  87 PHE CA 1  87 PHE C  1  88 SER N  -52.70  -31.90  -43.98  -48.16  -35.05     .  .  0 "[    .    1    .    2]" 
       170 PHI 1  86 TYR C 1  87 PHE N  1  87 PHE CA 1  87 PHE C  -66.60  -50.80  -65.00  -63.37  -65.59  0.25 19  0 "[    .    1    .    2]" 
       171 PSI 1  88 SER N 1  88 SER CA 1  88 SER C  1  89 ARG N  -47.30  -37.50  -37.34  -36.71  -37.26  1.34 11  0 "[    .    1    .    2]" 
       172 PHI 1  87 PHE C 1  88 SER N  1  88 SER CA 1  88 SER C  -65.20  -59.80  -65.49  -65.22  -65.38  0.97 16  0 "[    .    1    .    2]" 
       173 PSI 1  89 ARG N 1  89 ARG CA 1  89 ARG C  1  90 VAL N  -49.90  -29.70  -50.93  -51.76  -50.44  1.86  2  0 "[    .    1    .    2]" 
       174 PHI 1  88 SER C 1  89 ARG N  1  89 ARG CA 1  89 ARG C  -68.40  -60.40  -63.07  -62.74  -62.87     .  .  0 "[    .    1    .    2]" 
       175 PSI 1  90 VAL N 1  90 VAL CA 1  90 VAL C  1  91 PHE N  -46.50  -39.00  -44.30  -40.83  -42.99  0.04  1  0 "[    .    1    .    2]" 
       176 PHI 1  89 ARG C 1  90 VAL N  1  90 VAL CA 1  90 VAL C  -69.90  -60.60  -70.46  -71.18  -69.94  1.28  2  0 "[    .    1    .    2]" 
       177 PSI 1  91 PHE N 1  91 PHE CA 1  91 PHE C  1  92 LYS N  -47.70  -37.20  -36.02  -37.14  -34.94  2.26  1  0 "[    .    1    .    2]" 
       178 PHI 1  90 VAL C 1  91 PHE N  1  91 PHE CA 1  91 PHE C  -65.40  -61.50  -62.73  -66.35  -61.23  0.95 17  0 "[    .    1    .    2]" 
       179 PSI 1  92 LYS N 1  92 LYS CA 1  92 LYS C  1  93 LYS N  -48.20  -26.00  -45.14  -48.54  -48.71  1.04 18  0 "[    .    1    .    2]" 
       180 PHI 1  91 PHE C 1  92 LYS N  1  92 LYS CA 1  92 LYS C  -67.90  -58.30  -57.57  -61.73  -56.55  1.75  1  0 "[    .    1    .    2]" 
       181 PSI 1  93 LYS N 1  93 LYS CA 1  93 LYS C  1  94 CYS N  -45.10  -26.40  -25.42  -25.56  -25.61  1.85 17  0 "[    .    1    .    2]" 
       182 PHI 1  92 LYS C 1  93 LYS N  1  93 LYS CA 1  93 LYS C  -72.90  -56.60  -76.20  -78.33  -75.52  5.43 14  1 "[    .    1   +.    2]" 
       183 PSI 1  94 CYS N 1  94 CYS CA 1  94 CYS C  1  95 THR N  -48.40  -18.40  -49.59  -50.53  -41.41  2.13  5  0 "[    .    1    .    2]" 
       184 PHI 1  93 LYS C 1  94 CYS N  1  94 CYS CA 1  94 CYS C  -83.30  -55.70  -58.89  -83.48  -55.31  0.39 16  0 "[    .    1    .    2]" 
       185 PSI 1  95 THR N 1  95 THR CA 1  95 THR C  1  96 GLY N  -24.00   13.00  -10.54  -10.40  -10.46     .  .  0 "[    .    1    .    2]" 
       186 PHI 1  94 CYS C 1  95 THR N  1  95 THR CA 1  95 THR C -127.00  -96.30 -106.40 -107.50 -108.49  2.27 14  0 "[    .    1    .    2]" 
       187 PSI 1  96 GLY N 1  96 GLY CA 1  96 GLY C  1  97 ALA N   -8.90   17.20   -7.95   -9.84   -5.83  0.94  5  0 "[    .    1    .    2]" 
       188 PHI 1  95 THR C 1  96 GLY N  1  96 GLY CA 1  96 GLY C   67.50   94.80   95.34   86.16   96.21  1.41 17  0 "[    .    1    .    2]" 
       189 PSI 1  97 ALA N 1  97 ALA CA 1  97 ALA C  1  98 SER N  146.30  168.70  149.60  147.13  154.99     .  .  0 "[    .    1    .    2]" 
       190 PHI 1  96 GLY C 1  97 ALA N  1  97 ALA CA 1  97 ALA C -137.20 -110.50 -137.85 -138.89 -137.61  1.69 14  0 "[    .    1    .    2]" 
       191 PSI 1  98 SER N 1  98 SER CA 1  98 SER C  1  99 PRO N  126.00  169.00  162.78  162.55  162.47     .  .  0 "[    .    1    .    2]" 
       192 PHI 1  97 ALA C 1  98 SER N  1  98 SER CA 1  98 SER C  -98.20  -66.00  -65.13  -65.18  -65.34  2.10  5  0 "[    .    1    .    2]" 
       193 PSI 1  99 PRO N 1  99 PRO CA 1  99 PRO C  1 100 SER N  -41.40  -27.00  -31.87  -32.58  -32.97     .  .  0 "[    .    1    .    2]" 
       194 PSI 1 100 SER N 1 100 SER CA 1 100 SER C  1 101 GLU N  -46.00  -34.20  -34.07  -35.05  -32.73  1.47 18  0 "[    .    1    .    2]" 
       195 PHI 1  99 PRO C 1 100 SER N  1 100 SER CA 1 100 SER C  -67.10  -56.10  -67.51  -67.41  -67.42  1.51 18  0 "[    .    1    .    2]" 
       196 PSI 1 101 GLU N 1 101 GLU CA 1 101 GLU C  1 102 PHE N  -47.10  -32.00  -47.73  -48.23  -47.52  1.13 18  0 "[    .    1    .    2]" 
       197 PHI 1 100 SER C 1 101 GLU N  1 101 GLU CA 1 101 GLU C  -74.40  -62.30  -73.95  -74.82  -66.85  0.42 14  0 "[    .    1    .    2]" 
       198 PSI 1 102 PHE N 1 102 PHE CA 1 102 PHE C  1 103 ARG N  -47.40  -37.40  -43.36  -44.48  -45.34  0.07 20  0 "[    .    1    .    2]" 
       199 PHI 1 101 GLU C 1 102 PHE N  1 102 PHE CA 1 102 PHE C  -65.60  -58.50  -60.13  -60.32  -60.74  0.49 18  0 "[    .    1    .    2]" 
       200 PSI 1 103 ARG N 1 103 ARG CA 1 103 ARG C  1 104 ALA N  -43.20  -30.10  -36.09  -42.32  -30.12     .  .  0 "[    .    1    .    2]" 
       201 PHI 1 102 PHE C 1 103 ARG N  1 103 ARG CA 1 103 ARG C  -75.70  -58.10  -63.27  -62.35  -62.96     .  .  0 "[    .    1    .    2]" 
       202 PSI 1 104 ALA N 1 104 ALA CA 1 104 ALA C  1 105 GLY N  -36.50  -13.30  -30.33  -36.56  -25.20  0.06  2  0 "[    .    1    .    2]" 
       203 PHI 1 103 ARG C 1 104 ALA N  1 104 ALA CA 1 104 ALA C  -80.90  -60.50  -66.40  -65.06  -66.24     .  .  0 "[    .    1    .    2]" 
       204 PSI 1 105 GLY N 1 105 GLY CA 1 105 GLY C  1 106 CYS N   -9.10   11.90    0.34   -9.20   12.00  0.10 19  0 "[    .    1    .    2]" 
       205 PHI 1 104 ALA C 1 105 GLY N  1 105 GLY CA 1 105 GLY C   81.00   97.10   87.03   86.13   83.67     .  .  0 "[    .    1    .    2]" 
       206 PSI 1 106 CYS N 1 106 CYS CA 1 106 CYS C  1 107 GLU N  120.50  138.30  130.00  137.12  135.80  0.00  8  0 "[    .    1    .    2]" 
       207 PHI 1 105 GLY C 1 106 CYS N  1 106 CYS CA 1 106 CYS C  -89.60  -54.00  -74.70  -55.57  -68.37     .  .  0 "[    .    1    .    2]" 
    stop_

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