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
439697 2k70 15897 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2k70


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              123
    _TA_constraint_stats_list.Viol_count                    472
    _TA_constraint_stats_list.Viol_total                    41349.85
    _TA_constraint_stats_list.Viol_max                      11.90
    _TA_constraint_stats_list.Viol_rms                      1.23
    _TA_constraint_stats_list.Viol_average_all_restraints   0.35
    _TA_constraint_stats_list.Viol_average_violations_only  2.83
    _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 PHI 1   4 THR C 1   5 GLU N  1   5 GLU CA 1   5 GLU C -155.00 -80.00 -112.34 -105.72 -124.50  9.76 28  1 "[    .    1    .    2    .  + 3 ]" 
         2 PSI 1   5 GLU N 1   5 GLU CA 1   5 GLU C  1   6 GLY N   60.00 180.00  143.95   57.16 -168.10 11.90 11  4 "[    .    *+   .  * 2-   .    3 ]" 
         3 PHI 1   5 GLU C 1   6 GLY N  1   6 GLY CA 1   6 GLY C -155.00 -80.00 -127.28 -161.89  -82.73  6.89 20  4 "[ *- .    1    .    +    .  * 3 ]" 
         4 PSI 1   6 GLY N 1   6 GLY CA 1   6 GLY C  1   7 TRP N   60.00 180.00  176.47  164.24 -170.95  9.05 25  1 "[    .    1    .    2    +    3 ]" 
         5 PHI 1   6 GLY C 1   7 TRP N  1   7 TRP CA 1   7 TRP C -155.00 -80.00 -148.76 -159.03 -108.36  4.03 12  0 "[    .    1    .    2    .    3 ]" 
         6 PSI 1   7 TRP N 1   7 TRP CA 1   7 TRP C  1   8 VAL N   60.00 180.00  158.55  147.06  146.34  1.51 23  0 "[    .    1    .    2    .    3 ]" 
         7 PHI 1   7 TRP C 1   8 VAL N  1   8 VAL CA 1   8 VAL C -155.00 -80.00 -100.35 -133.70  -77.56  2.44 29  0 "[    .    1    .    2    .    3 ]" 
         8 PSI 1   8 VAL N 1   8 VAL CA 1   8 VAL C  1   9 ARG N   60.00 180.00  138.04  121.40  152.25     .  .  0 "[    .    1    .    2    .    3 ]" 
         9 PHI 1  14 PRO C 1  15 ASN N  1  15 ASN CA 1  15 ASN C -155.00 -80.00 -116.67 -125.24 -128.38     .  .  0 "[    .    1    .    2    .    3 ]" 
        10 PSI 1  15 ASN N 1  15 ASN CA 1  15 ASN C  1  16 ALA N   60.00 180.00  152.71  123.36  170.67     .  .  0 "[    .    1    .    2    .    3 ]" 
        11 PHI 1  15 ASN C 1  16 ALA N  1  16 ALA CA 1  16 ALA C -155.00 -80.00 -148.54 -158.13  -93.18  3.13 19  0 "[    .    1    .    2    .    3 ]" 
        12 PSI 1  16 ALA N 1  16 ALA CA 1  16 ALA C  1  17 ALA N   60.00 180.00 -176.51 -179.30 -171.72  8.28 25  5 "[    .    1* * *    2 -  +    3 ]" 
        13 PHI 1  16 ALA C 1  17 ALA N  1  17 ALA CA 1  17 ALA C -155.00 -80.00 -143.36 -140.22 -141.94  0.19 25  0 "[    .    1    .    2    .    3 ]" 
        14 PSI 1  17 ALA N 1  17 ALA CA 1  17 ALA C  1  18 ALA N   60.00 180.00  151.90  165.71  162.96     .  .  0 "[    .    1    .    2    .    3 ]" 
        15 PHI 1  17 ALA C 1  18 ALA N  1  18 ALA CA 1  18 ALA C -155.00 -80.00 -133.98 -153.85 -112.42     .  .  0 "[    .    1    .    2    .    3 ]" 
        16 PSI 1  18 ALA N 1  18 ALA CA 1  18 ALA C  1  19 TYR N   60.00 180.00  142.48  141.27  138.41     .  .  0 "[    .    1    .    2    .    3 ]" 
        17 PHI 1  20 LEU C 1  21 THR N  1  21 THR CA 1  21 THR C -155.00 -80.00  -98.72  -93.18  -94.65  2.78 17  0 "[    .    1    .    2    .    3 ]" 
        18 PSI 1  21 THR N 1  21 THR CA 1  21 THR C  1  22 LEU N   60.00 180.00  134.44  119.81  108.52     .  .  0 "[    .    1    .    2    .    3 ]" 
        19 PHI 1  21 THR C 1  22 LEU N  1  22 LEU CA 1  22 LEU C -155.00 -80.00 -117.91 -159.67  -79.46  4.67 30  0 "[    .    1    .    2    .    3 ]" 
        20 PSI 1  22 LEU N 1  22 LEU CA 1  22 LEU C  1  23 GLU N   60.00 180.00  136.45  108.86 -174.76  5.24 27  1 "[    .    1    .    2    . +  3 ]" 
        21 PHI 1  22 LEU C 1  23 GLU N  1  23 GLU CA 1  23 GLU C -155.00 -80.00 -120.40 -120.56 -122.68     .  .  0 "[    .    1    .    2    .    3 ]" 
        22 PSI 1  23 GLU N 1  23 GLU CA 1  23 GLU C  1  24 ASN N   60.00 180.00  142.51  142.46  140.97     .  .  0 "[    .    1    .    2    .    3 ]" 
        23 PHI 1  23 GLU C 1  24 ASN N  1  24 ASN CA 1  24 ASN C -155.00 -80.00 -105.78 -155.71  -76.96  3.04 29  0 "[    .    1    .    2    .    3 ]" 
        24 PSI 1  24 ASN N 1  24 ASN CA 1  24 ASN C  1  25 PRO N   60.00 180.00   98.28   64.80  118.87     .  .  0 "[    .    1    .    2    .    3 ]" 
        25 PHI 1  29 PRO C 1  30 LEU N  1  30 LEU CA 1  30 LEU C -155.00 -80.00 -103.16  -95.05  -98.58     .  .  0 "[    .    1    .    2    .    3 ]" 
        26 PSI 1  30 LEU N 1  30 LEU CA 1  30 LEU C  1  31 ARG N   60.00 180.00  151.03  152.46  151.16     .  .  0 "[    .    1    .    2    .    3 ]" 
        27 PHI 1  30 LEU C 1  31 ARG N  1  31 ARG CA 1  31 ARG C -155.00 -80.00 -138.24 -140.96 -141.79     .  .  0 "[    .    1    .    2    .    3 ]" 
        28 PSI 1  31 ARG N 1  31 ARG CA 1  31 ARG C  1  32 LEU N   60.00 180.00  106.99   98.26  119.54     .  .  0 "[    .    1    .    2    .    3 ]" 
        29 PHI 1  31 ARG C 1  32 LEU N  1  32 LEU CA 1  32 LEU C -155.00 -80.00  -87.90  -83.37  -84.80  0.83 31  0 "[    .    1    .    2    .    3 ]" 
        30 PSI 1  32 LEU N 1  32 LEU CA 1  32 LEU C  1  33 VAL N   60.00 180.00  111.58  110.97  110.21     .  .  0 "[    .    1    .    2    .    3 ]" 
        31 PHI 1  33 VAL C 1  34 GLY N  1  34 GLY CA 1  34 GLY C -155.00 -80.00 -158.39 -160.54 -155.63  5.54 24  3 "[    .    1    .    2  *+. -  3 ]" 
        32 PSI 1  34 GLY N 1  34 GLY CA 1  34 GLY C  1  35 ALA N   60.00 180.00 -176.49 -176.72 -177.08  6.05 19  6 "[    .    1    .   +-   *. ** * ]" 
        33 PHI 1  34 GLY C 1  35 ALA N  1  35 ALA CA 1  35 ALA C -155.00 -80.00 -148.01 -151.90 -153.74  2.05 11  0 "[    .    1    .    2    .    3 ]" 
        34 PSI 1  35 ALA N 1  35 ALA CA 1  35 ALA C  1  36 ARG N   60.00 180.00 -178.77 -179.87  179.82  5.15 19  1 "[    .    1    .   +2    .    3 ]" 
        35 PHI 1  35 ALA C 1  36 ARG N  1  36 ARG CA 1  36 ARG C -155.00 -80.00 -154.34 -160.84 -137.32  5.84  4  1 "[   +.    1    .    2    .    3 ]" 
        36 PSI 1  36 ARG N 1  36 ARG CA 1  36 ARG C  1  37 THR N   60.00 180.00  168.27  143.06 -177.99  2.01  5  0 "[    .    1    .    2    .    3 ]" 
        37 PHI 1  41 GLU C 1  42 ARG N  1  42 ARG CA 1  42 ARG C -155.00 -80.00 -119.66 -155.48  -78.21  1.79 17  0 "[    .    1    .    2    .    3 ]" 
        38 PSI 1  42 ARG N 1  42 ARG CA 1  42 ARG C  1  43 VAL N   60.00 180.00  138.66   68.17  169.59     .  .  0 "[    .    1    .    2    .    3 ]" 
        39 PHI 1  42 ARG C 1  43 VAL N  1  43 VAL CA 1  43 VAL C -155.00 -80.00 -126.12 -158.52  -77.73  3.52 27  0 "[    .    1    .    2    .    3 ]" 
        40 PSI 1  43 VAL N 1  43 VAL CA 1  43 VAL C  1  44 GLU N   60.00 180.00  139.23   59.92  167.34  0.08 19  0 "[    .    1    .    2    .    3 ]" 
        41 PHI 1  43 VAL C 1  44 GLU N  1  44 GLU CA 1  44 GLU C -155.00 -80.00 -135.13 -132.60 -134.06  1.81 28  0 "[    .    1    .    2    .    3 ]" 
        42 PSI 1  44 GLU N 1  44 GLU CA 1  44 GLU C  1  45 LEU N   60.00 180.00  144.87  150.76  149.96     .  .  0 "[    .    1    .    2    .    3 ]" 
        43 PHI 1  44 GLU C 1  45 LEU N  1  45 LEU CA 1  45 LEU C -155.00 -80.00 -101.94 -134.47  -80.83     .  .  0 "[    .    1    .    2    .    3 ]" 
        44 PSI 1  45 LEU N 1  45 LEU CA 1  45 LEU C  1  46 HIS N   60.00 180.00  123.85  120.07  119.10     .  .  0 "[    .    1    .    2    .    3 ]" 
        45 PHI 1  45 LEU C 1  46 HIS N  1  46 HIS CA 1  46 HIS C -155.00 -80.00 -121.92 -125.29 -115.10     .  .  0 "[    .    1    .    2    .    3 ]" 
        46 PSI 1  46 HIS N 1  46 HIS CA 1  46 HIS C  1  47 GLU N   60.00 180.00  156.32  159.77  158.34     .  .  0 "[    .    1    .    2    .    3 ]" 
        47 PHI 1  46 HIS C 1  47 GLU N  1  47 GLU CA 1  47 GLU C -155.00 -80.00 -100.70 -125.51  -84.65     .  .  0 "[    .    1    .    2    .    3 ]" 
        48 PSI 1  47 GLU N 1  47 GLU CA 1  47 GLU C  1  48 THR N   60.00 180.00  168.92  146.90 -176.42  3.58 11  0 "[    .    1    .    2    .    3 ]" 
        49 PHI 1  49 PHE C 1  50 MET N  1  50 MET CA 1  50 MET C -155.00 -80.00 -103.56 -123.62  -84.88     .  .  0 "[    .    1    .    2    .    3 ]" 
        50 PSI 1  50 MET N 1  50 MET CA 1  50 MET C  1  51 ARG N   60.00 180.00  143.80  135.21  154.62     .  .  0 "[    .    1    .    2    .    3 ]" 
        51 PHI 1  50 MET C 1  51 ARG N  1  51 ARG CA 1  51 ARG C -155.00 -80.00 -146.95 -110.40 -127.43  2.55  8  0 "[    .    1    .    2    .    3 ]" 
        52 PSI 1  51 ARG N 1  51 ARG CA 1  51 ARG C  1  52 GLU N   60.00 180.00  153.05  138.45  176.84     .  .  0 "[    .    1    .    2    .    3 ]" 
        53 PHI 1  51 ARG C 1  52 GLU N  1  52 GLU CA 1  52 GLU C -155.00 -80.00 -100.62  -99.27 -103.25  0.07 25  0 "[    .    1    .    2    .    3 ]" 
        54 PSI 1  52 GLU N 1  52 GLU CA 1  52 GLU C  1  53 VAL N   60.00 180.00  140.44  141.97  140.49     .  .  0 "[    .    1    .    2    .    3 ]" 
        55 PHI 1  57 LYS C 1  58 VAL N  1  58 VAL CA 1  58 VAL C -155.00 -80.00 -135.75 -156.72  -94.49  1.72 16  0 "[    .    1    .    2    .    3 ]" 
        56 PSI 1  58 VAL N 1  58 VAL CA 1  58 VAL C  1  59 MET N   60.00 180.00  165.05  133.52 -174.94  5.06 10  1 "[    .    +    .    2    .    3 ]" 
        57 PHI 1  58 VAL C 1  59 MET N  1  59 MET CA 1  59 MET C -155.00 -80.00 -113.20  -98.11 -111.23     .  .  0 "[    .    1    .    2    .    3 ]" 
        58 PSI 1  59 MET N 1  59 MET CA 1  59 MET C  1  60 GLY N   60.00 180.00  152.61  128.17  170.86     .  .  0 "[    .    1    .    2    .    3 ]" 
        59 PHI 1  59 MET C 1  60 GLY N  1  60 GLY CA 1  60 GLY C -155.00 -80.00 -140.80 -143.39 -148.55  2.13 15  0 "[    .    1    .    2    .    3 ]" 
        60 PSI 1  60 GLY N 1  60 GLY CA 1  60 GLY C  1  61 MET N   60.00 180.00  176.63  165.63 -174.90  5.10 15  1 "[    .    1    +    2    .    3 ]" 
        61 PHI 1  66 PHE C 1  67 LEU N  1  67 LEU CA 1  67 LEU C -155.00 -80.00 -111.75 -109.60 -110.22     .  .  0 "[    .    1    .    2    .    3 ]" 
        62 PSI 1  67 LEU N 1  67 LEU CA 1  67 LEU C  1  68 GLU N   60.00 180.00  154.13  152.96  152.22     .  .  0 "[    .    1    .    2    .    3 ]" 
        63 PHI 1  67 LEU C 1  68 GLU N  1  68 GLU CA 1  68 GLU C -155.00 -80.00 -119.41 -141.33 -105.52     .  .  0 "[    .    1    .    2    .    3 ]" 
        64 PSI 1  68 GLU N 1  68 GLU CA 1  68 GLU C  1  69 VAL N   60.00 180.00  144.46  137.33  152.36     .  .  0 "[    .    1    .    2    .    3 ]" 
        65 PHI 1  68 GLU C 1  69 VAL N  1  69 VAL CA 1  69 VAL C -155.00 -80.00 -140.65 -149.44 -134.44     .  .  0 "[    .    1    .    2    .    3 ]" 
        66 PSI 1  69 VAL N 1  69 VAL CA 1  69 VAL C  1  70 PRO N   60.00 180.00  130.47  126.89  125.25     .  .  0 "[    .    1    .    2    .    3 ]" 
        67 PHI 1  72 LYS C 1  73 GLY N  1  73 GLY CA 1  73 GLY C -155.00 -80.00  -85.72  -90.03  -94.08  2.89  8  0 "[    .    1    .    2    .    3 ]" 
        68 PSI 1  73 GLY N 1  73 GLY CA 1  73 GLY C  1  74 ARG N   60.00 180.00  163.54  126.81 -175.18  4.82  8  0 "[    .    1    .    2    .    3 ]" 
        69 PHI 1  73 GLY C 1  74 ARG N  1  74 ARG CA 1  74 ARG C -155.00 -80.00 -122.08 -127.87 -131.83  0.66 12  0 "[    .    1    .    2    .    3 ]" 
        70 PSI 1  74 ARG N 1  74 ARG CA 1  74 ARG C  1  75 VAL N   60.00 180.00  142.31  123.13  162.03     .  .  0 "[    .    1    .    2    .    3 ]" 
        71 PHI 1  74 ARG C 1  75 VAL N  1  75 VAL CA 1  75 VAL C -155.00 -80.00 -136.78 -145.89 -147.32  1.83 13  0 "[    .    1    .    2    .    3 ]" 
        72 PSI 1  75 VAL N 1  75 VAL CA 1  75 VAL C  1  76 GLU N   60.00 180.00  116.78   55.33  174.60  4.67 27  0 "[    .    1    .    2    .    3 ]" 
        73 PHI 1  75 VAL C 1  76 GLU N  1  76 GLU CA 1  76 GLU C -155.00 -80.00 -106.81 -154.14  -73.04  6.96 19  1 "[    .    1    .   +2    .    3 ]" 
        74 PSI 1  76 GLU N 1  76 GLU CA 1  76 GLU C  1  77 LEU N   60.00 180.00  138.24   93.02  171.55     .  .  0 "[    .    1    .    2    .    3 ]" 
        75 PHI 1  81 GLY C 1  82 TYR N  1  82 TYR CA 1  82 TYR C -155.00 -80.00  -99.27  -71.11  -71.87 11.31 30 17 "[*** ***  1*  *. -* *** **    +*]" 
        76 PSI 1  82 TYR N 1  82 TYR CA 1  82 TYR C  1  83 HIS N   60.00 180.00  141.66  134.35  151.24     .  .  0 "[    .    1    .    2    .    3 ]" 
        77 PHI 1  82 TYR C 1  83 HIS N  1  83 HIS CA 1  83 HIS C -155.00 -80.00 -161.56 -162.26 -162.62  9.41 25 25 "[******-******** ** ***  +* **3*]" 
        78 PSI 1  83 HIS N 1  83 HIS CA 1  83 HIS C  1  84 PHE N   60.00 180.00  155.68  157.30  156.74     .  .  0 "[    .    1    .    2    .    3 ]" 
        79 PHI 1  83 HIS C 1  84 PHE N  1  84 PHE CA 1  84 PHE C -155.00 -80.00  -83.25 -107.33  -77.03  2.97 27  0 "[    .    1    .    2    .    3 ]" 
        80 PSI 1  84 PHE N 1  84 PHE CA 1  84 PHE C  1  85 MET N   60.00 180.00  142.14  145.24  142.79     .  .  0 "[    .    1    .    2    .    3 ]" 
        81 PHI 1  84 PHE C 1  85 MET N  1  85 MET CA 1  85 MET C -155.00 -80.00  -96.18 -117.80  -79.20  0.80  4  0 "[    .    1    .    2    .    3 ]" 
        82 PSI 1  85 MET N 1  85 MET CA 1  85 MET C  1  86 LEU N   60.00 180.00  131.68  117.69  139.81     .  .  0 "[    .    1    .    2    .    3 ]" 
        83 PHI 1  85 MET C 1  86 LEU N  1  86 LEU CA 1  86 LEU C -155.00 -80.00 -111.61 -118.59  -86.71     .  .  0 "[    .    1    .    2    .    3 ]" 
        84 PSI 1  86 LEU N 1  86 LEU CA 1  86 LEU C  1  87 LEU N   60.00 180.00  130.73  107.74  143.29     .  .  0 "[    .    1    .    2    .    3 ]" 
        85 PHI 1  86 LEU C 1  87 LEU N  1  87 LEU CA 1  87 LEU C -155.00 -80.00 -130.23 -124.49 -126.67     .  .  0 "[    .    1    .    2    .    3 ]" 
        86 PSI 1  87 LEU N 1  87 LEU CA 1  87 LEU C  1  88 GLY N   60.00 180.00  141.48  128.03  155.34     .  .  0 "[    .    1    .    2    .    3 ]" 
        87 PHI 1  97 GLU C 1  98 GLU N  1  98 GLU CA 1  98 GLU C -155.00 -80.00 -142.84 -152.51 -154.66  3.52  1  0 "[    .    1    .    2    .    3 ]" 
        88 PSI 1  98 GLU N 1  98 GLU CA 1  98 GLU C  1  99 VAL N   60.00 180.00  136.83  124.98  121.78     .  .  0 "[    .    1    .    2    .    3 ]" 
        89 PHI 1  98 GLU C 1  99 VAL N  1  99 VAL CA 1  99 VAL C -155.00 -80.00 -142.13 -146.79 -148.54  1.06  4  0 "[    .    1    .    2    .    3 ]" 
        90 PSI 1  99 VAL N 1  99 VAL CA 1  99 VAL C  1 100 GLU N   60.00 180.00  133.69  119.89  158.04     .  .  0 "[    .    1    .    2    .    3 ]" 
        91 PHI 1  99 VAL C 1 100 GLU N  1 100 GLU CA 1 100 GLU C -155.00 -80.00  -84.88  -78.90  -79.00  3.91  6  0 "[    .    1    .    2    .    3 ]" 
        92 PSI 1 100 GLU N 1 100 GLU CA 1 100 GLU C  1 101 LEU N   60.00 180.00  146.21  150.05  147.76     .  .  0 "[    .    1    .    2    .    3 ]" 
        93 PHI 1 100 GLU C 1 101 LEU N  1 101 LEU CA 1 101 LEU C -155.00 -80.00 -127.49 -156.82 -111.78  1.82 27  0 "[    .    1    .    2    .    3 ]" 
        94 PSI 1 101 LEU N 1 101 LEU CA 1 101 LEU C  1 102 ASP N   60.00 180.00  141.08  142.80  142.31     .  .  0 "[    .    1    .    2    .    3 ]" 
        95 PHI 1 101 LEU C 1 102 ASP N  1 102 ASP CA 1 102 ASP C -155.00 -80.00  -97.41 -121.87  -77.47  2.53 13  0 "[    .    1    .    2    .    3 ]" 
        96 PSI 1 102 ASP N 1 102 ASP CA 1 102 ASP C  1 103 LEU N   60.00 180.00  136.32  104.33  152.21     .  .  0 "[    .    1    .    2    .    3 ]" 
        97 PHI 1 102 ASP C 1 103 LEU N  1 103 LEU CA 1 103 LEU C -155.00 -80.00 -107.67  -94.21  -97.56     .  .  0 "[    .    1    .    2    .    3 ]" 
        98 PSI 1 103 LEU N 1 103 LEU CA 1 103 LEU C  1 104 LEU N   60.00 180.00  127.84  115.81  109.75     .  .  0 "[    .    1    .    2    .    3 ]" 
        99 PHI 1 103 LEU C 1 104 LEU N  1 104 LEU CA 1 104 LEU C -155.00 -80.00 -101.81 -112.78  -79.34  0.66  1  0 "[    .    1    .    2    .    3 ]" 
       100 PSI 1 104 LEU N 1 104 LEU CA 1 104 LEU C  1 105 PHE N   60.00 180.00  112.76  117.30  114.81     .  .  0 "[    .    1    .    2    .    3 ]" 
       101 PHI 1 104 LEU C 1 105 PHE N  1 105 PHE CA 1 105 PHE C -155.00 -80.00 -107.48 -122.60  -91.97     .  .  0 "[    .    1    .    2    .    3 ]" 
       102 PSI 1 105 PHE N 1 105 PHE CA 1 105 PHE C  1 106 ALA N   60.00 180.00  139.67  141.30  137.44     .  .  0 "[    .    1    .    2    .    3 ]" 
       103 PHI 1 108 GLY C 1 109 LYS N  1 109 LYS CA 1 109 LYS C -155.00 -80.00 -113.71 -158.17  -77.32  3.17 29  0 "[    .    1    .    2    .    3 ]" 
       104 PSI 1 109 LYS N 1 109 LYS CA 1 109 LYS C  1 110 VAL N   60.00 180.00  134.59  102.99  155.84     .  .  0 "[    .    1    .    2    .    3 ]" 
       105 PHI 1 109 LYS C 1 110 VAL N  1 110 VAL CA 1 110 VAL C -155.00 -80.00 -129.18 -144.10 -147.01     .  .  0 "[    .    1    .    2    .    3 ]" 
       106 PSI 1 110 VAL N 1 110 VAL CA 1 110 VAL C  1 111 LEU N   60.00 180.00  143.32  128.83  151.63     .  .  0 "[    .    1    .    2    .    3 ]" 
       107 PHI 1 110 VAL C 1 111 LEU N  1 111 LEU CA 1 111 LEU C -155.00 -80.00 -144.42 -159.14 -120.48  4.14 10  0 "[    .    1    .    2    .    3 ]" 
       108 PSI 1 111 LEU N 1 111 LEU CA 1 111 LEU C  1 112 LYS N   60.00 180.00  138.66  111.01  175.78     .  .  0 "[    .    1    .    2    .    3 ]" 
       109 PHI 1 111 LEU C 1 112 LYS N  1 112 LYS CA 1 112 LYS C -155.00 -80.00 -109.87  -98.10 -101.05  1.11 19  0 "[    .    1    .    2    .    3 ]" 
       110 PSI 1 112 LYS N 1 112 LYS CA 1 112 LYS C  1 113 VAL N   60.00 180.00  141.97  135.75  135.16     .  .  0 "[    .    1    .    2    .    3 ]" 
       111 PHI 1 112 LYS C 1 113 VAL N  1 113 VAL CA 1 113 VAL C -155.00 -80.00 -132.26 -149.11  -89.31     .  .  0 "[    .    1    .    2    .    3 ]" 
       112 PSI 1 113 VAL N 1 113 VAL CA 1 113 VAL C  1 114 VAL N   60.00 180.00  161.24  157.61  154.72  5.54 28  1 "[    .    1    .    2    .  + 3 ]" 
       113 PHI 1 113 VAL C 1 114 VAL N  1 114 VAL CA 1 114 VAL C -155.00 -80.00 -119.76 -144.55  -87.39     .  .  0 "[    .    1    .    2    .    3 ]" 
       114 PSI 1 114 VAL N 1 114 VAL CA 1 114 VAL C  1 115 LEU N   60.00 180.00  137.14  129.98  128.64     .  .  0 "[    .    1    .    2    .    3 ]" 
       115 PHI 1 114 VAL C 1 115 LEU N  1 115 LEU CA 1 115 LEU C -155.00 -80.00 -138.22 -158.01  -98.55  3.01 10  0 "[    .    1    .    2    .    3 ]" 
       116 PSI 1 115 LEU N 1 115 LEU CA 1 115 LEU C  1 116 PRO N   60.00 180.00  141.61  106.08  159.48     .  .  0 "[    .    1    .    2    .    3 ]" 
       117 PSI 1 116 PRO N 1 116 PRO CA 1 116 PRO C  1 117 VAL N   60.00 180.00  158.46  138.71  174.42     .  .  0 "[    .    1    .    2    .    3 ]" 
       118 PHI 1 116 PRO C 1 117 VAL N  1 117 VAL CA 1 117 VAL C -155.00 -80.00 -100.52  -96.59 -100.26  2.08 19  0 "[    .    1    .    2    .    3 ]" 
       119 PSI 1 117 VAL N 1 117 VAL CA 1 117 VAL C  1 118 GLU N   60.00 180.00  124.94   81.73  141.41     .  .  0 "[    .    1    .    2    .    3 ]" 
       120 PHI 1 117 VAL C 1 118 GLU N  1 118 GLU CA 1 118 GLU C -155.00 -80.00 -131.68 -156.72  -80.19  1.72 22  0 "[    .    1    .    2    .    3 ]" 
       121 PSI 1 118 GLU N 1 118 GLU CA 1 118 GLU C  1 119 ALA N   60.00 180.00  161.35  163.64  156.09  7.48 10  2 "[    .    +    .   -2    .    3 ]" 
       122 PHI 1 118 GLU C 1 119 ALA N  1 119 ALA CA 1 119 ALA C -155.00 -80.00  -94.43 -146.33  -72.55  7.45 25  1 "[    .    1    .    2    +    3 ]" 
       123 PSI 1 119 ALA N 1 119 ALA CA 1 119 ALA C  1 120 ARG N   60.00 180.00  120.72   83.46   71.85  4.77 20  0 "[    .    1    .    2    .    3 ]" 
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