NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage program type subtype subsubtype
372607 1dby cing recoord 4-filtered-FRED Wattos check violation dihedral angle


data_1dby


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              102
    _TA_constraint_stats_list.Viol_count                    362
    _TA_constraint_stats_list.Viol_total                    15471.16
    _TA_constraint_stats_list.Viol_max                      22.44
    _TA_constraint_stats_list.Viol_rms                      1.12
    _TA_constraint_stats_list.Viol_average_all_restraints   0.19
    _TA_constraint_stats_list.Viol_average_violations_only  1.53
    _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 . 1   4 GLY C  1   5 ALA N  1   5 ALA CA 1   5 ALA C   -160.00  -80.00 -116.68 -120.67 -122.43  0.35 18 0 "[    .    1    .    2    .   ]" 
         2 . 1   5 ALA C  1   6 VAL N  1   6 VAL CA 1   6 VAL C   -160.00  -80.00 -126.52 -134.89 -136.93     .  . 0 "[    .    1    .    2    .   ]" 
         3 . 1   6 VAL C  1   7 ASN N  1   7 ASN CA 1   7 ASN C   -160.00  -80.00 -145.48 -143.50 -144.11     .  . 0 "[    .    1    .    2    .   ]" 
         4 . 1   7 ASN C  1   8 ASP N  1   8 ASP CA 1   8 ASP C    -90.00  -40.00  -41.44  -39.26  -39.29  2.28 23 0 "[    .    1    .    2    .   ]" 
         5 . 1  10 THR C  1  11 PHE N  1  11 PHE CA 1  11 PHE C    -90.00  -40.00  -41.23  -43.58  -44.74  1.07 21 0 "[    .    1    .    2    .   ]" 
         6 . 1  11 PHE C  1  12 LYS N  1  12 LYS CA 1  12 LYS C    -90.00  -40.00  -49.69  -61.88  -40.03     .  . 0 "[    .    1    .    2    .   ]" 
         7 . 1  12 LYS C  1  13 ASN N  1  13 ASN CA 1  13 ASN C    -90.00  -40.00  -72.42  -63.64  -65.78     .  . 0 "[    .    1    .    2    .   ]" 
         8 . 1  14 VAL C  1  15 VAL N  1  15 VAL CA 1  15 VAL C   -160.00  -80.00 -108.15 -132.49  -83.59     .  . 0 "[    .    1    .    2    .   ]" 
         9 . 1  15 VAL C  1  16 LEU N  1  16 LEU CA 1  16 LEU C    -90.00  -40.00  -64.52  -46.98  -52.06     .  . 0 "[    .    1    .    2    .   ]" 
        10 . 1  16 LEU C  1  17 GLU N  1  17 GLU CA 1  17 GLU C   -160.00  -80.00  -81.76  -82.93  -88.07  2.49 17 0 "[    .    1    .    2    .   ]" 
        11 . 1  17 GLU C  1  18 SER N  1  18 SER CA 1  18 SER C    -90.00  -40.00  -84.84  -71.29  -72.99  1.21 15 0 "[    .    1    .    2    .   ]" 
        12 . 1  18 SER C  1  19 SER N  1  19 SER CA 1  19 SER C   -160.00  -80.00  -94.35  -87.57  -91.26  1.54  7 0 "[    .    1    .    2    .   ]" 
        13 . 1  19 SER C  1  20 VAL N  1  20 VAL CA 1  20 VAL C   -160.00  -80.00  -78.61  -79.66  -76.59  3.41 27 0 "[    .    1    .    2    .   ]" 
        14 . 1  21 PRO C  1  22 VAL N  1  22 VAL CA 1  22 VAL C   -160.00  -80.00 -142.17 -143.06 -144.72     .  . 0 "[    .    1    .    2    .   ]" 
        15 . 1  22 VAL C  1  23 LEU N  1  23 LEU CA 1  23 LEU C   -160.00  -80.00 -107.78 -131.68  -82.32     .  . 0 "[    .    1    .    2    .   ]" 
        16 . 1  23 LEU C  1  24 VAL N  1  24 VAL CA 1  24 VAL C   -160.00  -80.00 -101.71 -124.61  -91.26     .  . 0 "[    .    1    .    2    .   ]" 
        17 . 1  24 VAL C  1  25 ASP N  1  25 ASP CA 1  25 ASP C   -160.00  -80.00  -96.56 -115.07  -86.24     .  . 0 "[    .    1    .    2    .   ]" 
        18 . 1  25 ASP C  1  26 PHE N  1  26 PHE CA 1  26 PHE C   -160.00  -80.00  -79.56  -87.85  -78.25  1.75 22 0 "[    .    1    .    2    .   ]" 
        19 . 1  26 PHE C  1  27 TRP N  1  27 TRP CA 1  27 TRP C   -160.00  -80.00 -125.53 -133.31 -116.61     .  . 0 "[    .    1    .    2    .   ]" 
        20 . 1  33 PRO C  1  34 CYS N  1  34 CYS CA 1  34 CYS C    -90.00  -40.00  -65.42  -82.75  -46.13     .  . 0 "[    .    1    .    2    .   ]" 
        21 . 1  34 CYS C  1  35 ARG N  1  35 ARG CA 1  35 ARG C    -90.00  -40.00  -52.57  -51.07  -53.25     .  . 0 "[    .    1    .    2    .   ]" 
        22 . 1  35 ARG C  1  36 ILE N  1  36 ILE CA 1  36 ILE C    -90.00  -40.00  -72.08  -72.05  -72.93  0.15 13 0 "[    .    1    .    2    .   ]" 
        23 . 1  36 ILE C  1  37 ILE N  1  37 ILE CA 1  37 ILE C    -90.00  -40.00  -82.84  -90.88  -74.27  0.88 23 0 "[    .    1    .    2    .   ]" 
        24 . 1  37 ILE C  1  38 ALA N  1  38 ALA CA 1  38 ALA C    -90.00  -40.00  -39.52  -39.55  -39.64  2.05  6 0 "[    .    1    .    2    .   ]" 
        25 . 1  40 VAL C  1  41 VAL N  1  41 VAL CA 1  41 VAL C    -90.00  -40.00  -54.93  -61.06  -49.16     .  . 0 "[    .    1    .    2    .   ]" 
        26 . 1  41 VAL C  1  42 ASP N  1  42 ASP CA 1  42 ASP C    -90.00  -40.00  -61.64  -70.10  -55.89     .  . 0 "[    .    1    .    2    .   ]" 
        27 . 1  42 ASP C  1  43 GLU N  1  43 GLU CA 1  43 GLU C    -90.00  -40.00  -58.84  -56.59  -57.59     .  . 0 "[    .    1    .    2    .   ]" 
        28 . 1  43 GLU C  1  44 ILE N  1  44 ILE CA 1  44 ILE C    -90.00  -40.00  -56.32  -65.61  -47.98     .  . 0 "[    .    1    .    2    .   ]" 
        29 . 1  44 ILE C  1  45 ALA N  1  45 ALA CA 1  45 ALA C    -90.00  -40.00  -57.13  -66.57  -51.27     .  . 0 "[    .    1    .    2    .   ]" 
        30 . 1  46 GLY C  1  47 GLU N  1  47 GLU CA 1  47 GLU C    -90.00  -40.00  -58.41  -76.06  -39.90  0.10 27 0 "[    .    1    .    2    .   ]" 
        31 . 1  47 GLU C  1  48 TYR N  1  48 TYR CA 1  48 TYR C   -160.00  -80.00  -98.11 -124.55  -78.86  1.14 13 0 "[    .    1    .    2    .   ]" 
        32 . 1  48 TYR C  1  49 LYS N  1  49 LYS CA 1  49 LYS C    -90.00  -40.00  -49.77  -65.71  -37.31  2.69  6 0 "[    .    1    .    2    .   ]" 
        33 . 1  50 ASP C  1  51 LYS N  1  51 LYS CA 1  51 LYS C   -160.00  -80.00  -92.29  -80.19  -82.84  7.33 13 2 "[    .    1  +-.    2    .   ]" 
        34 . 1  51 LYS C  1  52 LEU N  1  52 LEU CA 1  52 LEU C   -160.00  -80.00 -122.62 -158.03  -78.57  1.43 27 0 "[    .    1    .    2    .   ]" 
        35 . 1  52 LEU C  1  53 LYS N  1  53 LYS CA 1  53 LYS C   -160.00  -80.00  -81.90  -79.20  -79.45  4.77 19 0 "[    .    1    .    2    .   ]" 
        36 . 1  53 LYS C  1  54 CYS N  1  54 CYS CA 1  54 CYS C   -160.00  -80.00 -113.31 -160.02  -78.24  1.76  1 0 "[    .    1    .    2    .   ]" 
        37 . 1  54 CYS C  1  55 VAL N  1  55 VAL CA 1  55 VAL C   -160.00  -80.00 -151.71 -150.59 -152.28     .  . 0 "[    .    1    .    2    .   ]" 
        38 . 1  55 VAL C  1  56 LYS N  1  56 LYS CA 1  56 LYS C   -160.00  -80.00 -135.12 -153.76 -125.81     .  . 0 "[    .    1    .    2    .   ]" 
        39 . 1  56 LYS C  1  57 LEU N  1  57 LEU CA 1  57 LEU C   -160.00  -80.00  -96.65  -99.76 -104.31     .  . 0 "[    .    1    .    2    .   ]" 
        40 . 1  60 ASP C  1  61 GLU N  1  61 GLU CA 1  61 GLU C   -160.00  -80.00  -82.95  -82.83  -82.98  0.12 27 0 "[    .    1    .    2    .   ]" 
        41 . 1  61 GLU C  1  62 SER N  1  62 SER CA 1  62 SER C   -160.00  -80.00 -126.60 -127.13 -132.34     .  . 0 "[    .    1    .    2    .   ]" 
        42 . 1  64 ASN C  1  65 VAL N  1  65 VAL CA 1  65 VAL C    -90.00  -40.00  -55.85  -61.01  -65.04     .  . 0 "[    .    1    .    2    .   ]" 
        43 . 1  65 VAL C  1  66 ALA N  1  66 ALA CA 1  66 ALA C    -90.00  -40.00  -53.38  -55.67  -56.47     .  . 0 "[    .    1    .    2    .   ]" 
        44 . 1  67 SER C  1  68 GLU N  1  68 GLU CA 1  68 GLU C    -90.00  -40.00  -55.40  -55.18  -55.39     .  . 0 "[    .    1    .    2    .   ]" 
        45 . 1  68 GLU C  1  69 TYR N  1  69 TYR CA 1  69 TYR C   -160.00  -80.00  -79.06  -79.56  -78.19  1.81 26 0 "[    .    1    .    2    .   ]" 
        46 . 1  71 ILE C  1  72 ARG N  1  72 ARG CA 1  72 ARG C   -160.00  -80.00  -90.05  -81.59 -148.67  2.71  5 0 "[    .    1    .    2    .   ]" 
        47 . 1  73 SER C  1  74 ILE N  1  74 ILE CA 1  74 ILE C   -160.00  -80.00 -135.56 -140.84 -142.14     .  . 0 "[    .    1    .    2    .   ]" 
        48 . 1  75 PRO C  1  76 THR N  1  76 THR CA 1  76 THR C   -160.00  -80.00 -144.44 -160.99 -121.84  0.99 18 0 "[    .    1    .    2    .   ]" 
        49 . 1  76 THR C  1  77 ILE N  1  77 ILE CA 1  77 ILE C   -160.00  -80.00  -94.71 -116.82  -75.20  4.80 18 0 "[    .    1    .    2    .   ]" 
        50 . 1  77 ILE C  1  78 MET N  1  78 MET CA 1  78 MET C   -160.00  -80.00 -111.37 -136.24  -80.87     .  . 0 "[    .    1    .    2    .   ]" 
        51 . 1  78 MET C  1  79 VAL N  1  79 VAL CA 1  79 VAL C   -160.00  -80.00 -105.34 -108.51 -112.76     .  . 0 "[    .    1    .    2    .   ]" 
        52 . 1  79 VAL C  1  80 PHE N  1  80 PHE CA 1  80 PHE C   -160.00  -80.00 -117.28 -127.10 -127.93  0.66 22 0 "[    .    1    .    2    .   ]" 
        53 . 1  83 GLY C  1  84 LYS N  1  84 LYS CA 1  84 LYS C   -160.00  -80.00 -106.81 -153.90  -79.24  0.76 27 0 "[    .    1    .    2    .   ]" 
        54 . 1  84 LYS C  1  85 LYS N  1  85 LYS CA 1  85 LYS C    -90.00  -40.00  -81.34  -67.73  -71.27  0.59 28 0 "[    .    1    .    2    .   ]" 
        55 . 1  85 LYS C  1  86 CYS N  1  86 CYS CA 1  86 CYS C   -160.00  -80.00 -116.41 -150.59  -88.38     .  . 0 "[    .    1    .    2    .   ]" 
        56 . 1  87 GLU C  1  88 THR N  1  88 THR CA 1  88 THR C   -160.00  -80.00 -151.50 -160.47 -116.41  0.47  2 0 "[    .    1    .    2    .   ]" 
        57 . 1  88 THR C  1  89 ILE N  1  89 ILE CA 1  89 ILE C   -160.00  -80.00 -125.88 -146.81  -81.24     .  . 0 "[    .    1    .    2    .   ]" 
        58 . 1  89 ILE C  1  90 ILE N  1  90 ILE CA 1  90 ILE C   -160.00  -80.00 -110.48 -124.76 -129.42  1.36 22 0 "[    .    1    .    2    .   ]" 
        59 . 1  92 ALA C  1  93 VAL N  1  93 VAL CA 1  93 VAL C   -160.00  -80.00 -107.32  -79.91 -123.22  2.94 22 0 "[    .    1    .    2    .   ]" 
        60 . 1  94 PRO C  1  95 LYS N  1  95 LYS CA 1  95 LYS C    -90.00  -40.00  -52.67  -67.11  -42.10     .  . 0 "[    .    1    .    2    .   ]" 
        61 . 1  95 LYS C  1  96 ALA N  1  96 ALA CA 1  96 ALA C    -90.00  -40.00  -49.11  -50.95  -51.93     .  . 0 "[    .    1    .    2    .   ]" 
        62 . 1  98 ILE C  1  99 VAL N  1  99 VAL CA 1  99 VAL C    -90.00  -40.00  -53.05  -62.05  -46.59     .  . 0 "[    .    1    .    2    .   ]" 
        63 . 1  99 VAL C  1 100 GLN N  1 100 GLN CA 1 100 GLN C    -90.00  -40.00  -54.14  -56.81  -57.91     .  . 0 "[    .    1    .    2    .   ]" 
        64 . 1 100 GLN C  1 101 THR N  1 101 THR CA 1 101 THR C    -90.00  -40.00  -59.60  -66.34  -53.71     .  . 0 "[    .    1    .    2    .   ]" 
        65 . 1 102 VAL C  1 103 GLU N  1 103 GLU CA 1 103 GLU C    -90.00  -40.00  -52.41  -63.32  -43.86     .  . 0 "[    .    1    .    2    .   ]" 
        66 . 1 103 GLU C  1 104 LYS N  1 104 LYS CA 1 104 LYS C    -90.00  -40.00  -52.24  -54.70  -57.60     .  . 0 "[    .    1    .    2    .   ]" 
        67 . 1   6 VAL HA 1   6 VAL CA 1   6 VAL CB 1   6 VAL HB  -120.00   -1.00  -73.96  -78.07  -80.21     .  . 0 "[    .    1    .    2    .   ]" 
        68 . 1  11 PHE N  1  11 PHE CA 1  11 PHE CB 1  11 PHE CG   120.00 -120.00 -176.47  174.83 -163.74     .  . 0 "[    .    1    .    2    .   ]" 
        69 . 1  14 VAL HA 1  14 VAL CA 1  14 VAL CB 1  14 VAL HB   120.00 -120.00  171.65   97.56  177.87 22.44  6 1 "[    .+   1    .    2    .   ]" 
        70 . 1  15 VAL HA 1  15 VAL CA 1  15 VAL CB 1  15 VAL HB   120.00 -120.00 -170.81 -179.69 -165.88     .  . 0 "[    .    1    .    2    .   ]" 
        71 . 1  16 LEU N  1  16 LEU CA 1  16 LEU CB 1  16 LEU CG  -120.00   -1.00  -59.68  -69.35  -49.37     .  . 0 "[    .    1    .    2    .   ]" 
        72 . 1  16 LEU CA 1  16 LEU CB 1  16 LEU CG 1  16 LEU HG     1.00  120.00   65.50   60.28   74.59     .  . 0 "[    .    1    .    2    .   ]" 
        73 . 1  19 SER N  1  19 SER CA 1  19 SER CB 1  19 SER OG     1.00  120.00   44.08   42.95   42.68     .  . 0 "[    .    1    .    2    .   ]" 
        74 . 1  22 VAL HA 1  22 VAL CA 1  22 VAL CB 1  22 VAL HB   120.00 -120.00 -169.95 -166.24 -166.38 10.56 18 3 "[    .    1    .  +-2    . * ]" 
        75 . 1  23 LEU N  1  23 LEU CA 1  23 LEU CB 1  23 LEU CG   120.00   -1.00 -169.81  171.87  -93.67     .  . 0 "[    .    1    .    2    .   ]" 
        76 . 1  25 ASP N  1  25 ASP CA 1  25 ASP CB 1  25 ASP CG   120.00 -120.00  173.82  157.67  179.46     .  . 0 "[    .    1    .    2    .   ]" 
        77 . 1  26 PHE N  1  26 PHE CA 1  26 PHE CB 1  26 PHE CG  -120.00   -1.00  -74.70  -81.26  -68.86     .  . 0 "[    .    1    .    2    .   ]" 
        78 . 1  27 TRP N  1  27 TRP CA 1  27 TRP CB 1  27 TRP CG     1.00  120.00   74.89   71.18   78.67     .  . 0 "[    .    1    .    2    .   ]" 
        79 . 1  30 TRP N  1  30 TRP CA 1  30 TRP CB 1  30 TRP CG     1.00  120.00   52.64   46.99   62.23     .  . 0 "[    .    1    .    2    .   ]" 
        80 . 1  31 CYS N  1  31 CYS CA 1  31 CYS CB 1  31 CYS SG   120.00 -120.00  177.15 -175.32 -177.34     .  . 0 "[    .    1    .    2    .   ]" 
        81 . 1  34 CYS N  1  34 CYS CA 1  34 CYS CB 1  34 CYS SG  -120.00   -1.00  -54.35  -61.28  -49.00     .  . 0 "[    .    1    .    2    .   ]" 
        82 . 1  35 ARG N  1  35 ARG CA 1  35 ARG CB 1  35 ARG CG   120.00   -1.00 -123.94  177.38  -56.32     .  . 0 "[    .    1    .    2    .   ]" 
        83 . 1  40 VAL HA 1  40 VAL CA 1  40 VAL CB 1  40 VAL HB   120.00 -120.00 -179.01  112.99  -98.14 21.86  8 3 "[    .- + 1    .   *2    .   ]" 
        84 . 1  41 VAL HA 1  41 VAL CA 1  41 VAL CB 1  41 VAL HB   120.00 -120.00  174.85  176.48  174.79 20.00 17 3 "[    .*   1    . +  2 -  .   ]" 
        85 . 1  44 ILE N  1  44 ILE CA 1  44 ILE CB 1  44 ILE CG1 -120.00   -1.00  -74.06  -71.03  -71.77     .  . 0 "[    .    1    .    2    .   ]" 
        86 . 1  47 GLU N  1  47 GLU CA 1  47 GLU CB 1  47 GLU CG   120.00   -1.00  -63.68  -58.23  -61.26     .  . 0 "[    .    1    .    2    .   ]" 
        87 . 1  48 TYR N  1  48 TYR CA 1  48 TYR CB 1  48 TYR CG  -120.00   -1.00  -59.01  -63.82  -64.87     .  . 0 "[    .    1    .    2    .   ]" 
        88 . 1  52 LEU N  1  52 LEU CA 1  52 LEU CB 1  52 LEU CG   120.00 -120.00 -163.89  131.38 -123.03     .  . 0 "[    .    1    .    2    .   ]" 
        89 . 1  52 LEU CA 1  52 LEU CB 1  52 LEU CG 1  52 LEU HG  -120.00   -1.00  -53.53  -78.86  -19.81     .  . 0 "[    .    1    .    2    .   ]" 
        90 . 1  54 CYS N  1  54 CYS CA 1  54 CYS CB 1  54 CYS SG   120.00 -120.00 -174.24 -173.52 -175.01  5.41  6 1 "[    .+   1    .    2    .   ]" 
        91 . 1  57 LEU N  1  57 LEU CA 1  57 LEU CB 1  57 LEU CG   120.00 -120.00  176.42 -176.36 -177.84 12.60 11 2 "[    .    1+   .    2    -   ]" 
        92 . 1  58 ASN N  1  58 ASN CA 1  58 ASN CB 1  58 ASN CG   120.00 -120.00 -175.87 -176.18 -176.67     .  . 0 "[    .    1    .    2    .   ]" 
        93 . 1  65 VAL HA 1  65 VAL CA 1  65 VAL CB 1  65 VAL HB   120.00 -120.00  177.83  162.26 -102.53 17.47  8 2 "[-   .  + 1    .    2    .   ]" 
        94 . 1  74 ILE N  1  74 ILE CA 1  74 ILE CB 1  74 ILE CG1    1.00  120.00   48.83   47.07   45.05     .  . 0 "[    .    1    .    2    .   ]" 
        95 . 1  76 THR N  1  76 THR CA 1  76 THR CB 1  76 THR OG1 -120.00   -1.00  -72.14  -81.10  -61.02     .  . 0 "[    .    1    .    2    .   ]" 
        96 . 1  79 VAL HA 1  79 VAL CA 1  79 VAL CB 1  79 VAL HB   120.00 -120.00  175.87  172.45  172.24  8.40 27 1 "[    .    1    .    2    . + ]" 
        97 . 1  80 PHE N  1  80 PHE CA 1  80 PHE CB 1  80 PHE CG  -120.00   -1.00  -67.83  -87.33  -50.34     .  . 0 "[    .    1    .    2    .   ]" 
        98 . 1  93 VAL HA 1  93 VAL CA 1  93 VAL CB 1  93 VAL HB  -120.00   -1.00  -78.44  -73.50 -103.77  4.73  1 0 "[    .    1    .    2    .   ]" 
        99 . 1  97 THR N  1  97 THR CA 1  97 THR CB 1  97 THR OG1 -120.00   -1.00  -36.83  -36.38  -41.31  0.98 24 0 "[    .    1    .    2    .   ]" 
       100 . 1  98 ILE N  1  98 ILE CA 1  98 ILE CB 1  98 ILE CG1 -120.00   -1.00  -65.44  -84.58  -56.86     .  . 0 "[    .    1    .    2    .   ]" 
       101 . 1  99 VAL HA 1  99 VAL CA 1  99 VAL CB 1  99 VAL HB   120.00 -120.00  167.25  161.93  158.85     .  . 0 "[    .    1    .    2    .   ]" 
       102 . 1 101 THR N  1 101 THR CA 1 101 THR CB 1 101 THR OG1 -120.00   -1.00  -56.22  -52.99  -54.03     .  . 0 "[    .    1    .    2    .   ]" 
    stop_

save_



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