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
500991 2l8y 17431 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2l8y


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              129
    _TA_constraint_stats_list.Viol_count                    618
    _TA_constraint_stats_list.Viol_total                    172094.84
    _TA_constraint_stats_list.Viol_max                      55.28
    _TA_constraint_stats_list.Viol_rms                      6.64
    _TA_constraint_stats_list.Viol_average_all_restraints   2.13
    _TA_constraint_stats_list.Viol_average_violations_only  11.14
    _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  19 PRO N 1  19 PRO CA 1  19 PRO C  1  20 VAL N  -75.30   41.20  -43.61  -54.01  -64.25  3.45 18  0 "[    .    1    .    2    .]" 
         2 PHI 1  19 PRO C 1  20 VAL N  1  20 VAL CA 1  20 VAL C -116.70  -36.70 -118.69 -157.76  -69.78 41.06 20 12 "[    ** * 1 * *.*- *+*  **]" 
         3 PSI 1  20 VAL N 1  20 VAL CA 1  20 VAL C  1  21 ARG N   84.20  168.00  132.68  123.37  143.36     .  .  0 "[    .    1    .    2    .]" 
         4 PHI 1  20 VAL C 1  21 ARG N  1  21 ARG CA 1  21 ARG C -126.10  -46.10 -114.44 -124.03  -96.76     .  .  0 "[    .    1    .    2    .]" 
         5 PSI 1  21 ARG N 1  21 ARG CA 1  21 ARG C  1  22 ILE N   91.40  175.20  147.12  129.06  167.75     .  .  0 "[    .    1    .    2    .]" 
         6 PHI 1  21 ARG C 1  22 ILE N  1  22 ILE CA 1  22 ILE C -141.90  -62.00  -95.94  -82.04  -85.04     .  .  0 "[    .    1    .    2    .]" 
         7 PSI 1  22 ILE N 1  22 ILE CA 1  22 ILE C  1  23 TYR N   80.80  164.70  123.42   91.24  139.46     .  .  0 "[    .    1    .    2    .]" 
         8 PHI 1  22 ILE C 1  23 TYR N  1  23 TYR CA 1  23 TYR C -125.90  -45.90 -116.27  -77.55  -93.58  9.38 24  2 "[    .    1 -  .    2   +.]" 
         9 PSI 1  23 TYR N 1  23 TYR CA 1  23 TYR C  1  24 THR N   89.60  173.40  130.54  141.68  137.48     .  .  0 "[    .    1    .    2    .]" 
        10 PHI 1  23 TYR C 1  24 THR N  1  24 THR CA 1  24 THR C -132.10  -52.10 -113.26 -144.39  -92.17 12.29 14  4 "[    .    1-  +.*   2  * .]" 
        11 PSI 1  24 THR N 1  24 THR CA 1  24 THR C  1  25 ASN N   60.40  168.30   17.49    5.12   47.31 55.28  6 25  [*****+*-*****************]  
        12 PHI 1  25 ASN C 1  26 ALA N  1  26 ALA CA 1  26 ALA C  -90.50  -30.50  -65.68  -71.04  -58.27     .  .  0 "[    .    1    .    2    .]" 
        13 PSI 1  26 ALA N 1  26 ALA CA 1  26 ALA C  1  27 GLU N  -72.90   -9.00  -30.08  -37.71  -20.96     .  .  0 "[    .    1    .    2    .]" 
        14 PHI 1  26 ALA C 1  27 GLU N  1  27 GLU CA 1  27 GLU C  -72.00  -52.00  -58.12  -53.29  -54.12  2.68 18  0 "[    .    1    .    2    .]" 
        15 PSI 1  27 GLU N 1  27 GLU CA 1  27 GLU C  1  28 GLU N  -49.80  -25.80  -33.01  -37.95  -38.29  1.14  8  0 "[    .    1    .    2    .]" 
        16 PHI 1  27 GLU C 1  28 GLU N  1  28 GLU CA 1  28 GLU C  -75.00  -55.00  -69.06  -63.33  -64.78  4.32 14  0 "[    .    1    .    2    .]" 
        17 PSI 1  28 GLU N 1  28 GLU CA 1  28 GLU C  1  29 LEU N  -43.20  -21.20  -44.51  -53.92  -29.47 10.72  2  7 "[*+  .  * 1* * .  - 2    *]" 
        18 PHI 1  28 GLU C 1  29 LEU N  1  29 LEU CA 1  29 LEU C  -75.60  -55.60  -64.44  -63.42  -63.68     .  .  0 "[    .    1    .    2    .]" 
        19 PSI 1  29 LEU N 1  29 LEU CA 1  29 LEU C  1  30 VAL N  -45.30   -9.30  -46.71  -52.55  -39.62  7.25 20  3 "[    .    1*-  .    +    .]" 
        20 PHI 1  29 LEU C 1  30 VAL N  1  30 VAL CA 1  30 VAL C  -81.90  -41.90  -69.25  -61.85  -64.33     .  .  0 "[    .    1    .    2    .]" 
        21 PSI 1  30 VAL N 1  30 VAL CA 1  30 VAL C  1  31 GLY N  -49.50   -7.60  -11.03  -27.50  -27.92 20.93  4  6 "[   +.   -1 *  **   2 *  .]" 
        22 PHI 1  33 PRO C 1  34 PHE N  1  34 PHE CA 1  34 PHE C -155.50 -115.50 -126.84 -144.28 -101.77 13.73  6  3 "[    .+-  1    .    2   *.]" 
        23 PSI 1  34 PHE N 1  34 PHE CA 1  34 PHE C  1  35 ARG N  132.00  175.90  156.57  135.52  177.97  2.07  4  0 "[    .    1    .    2    .]" 
        24 PHI 1  34 PHE C 1  35 ARG N  1  35 ARG CA 1  35 ARG C -141.70 -101.70 -110.90  -97.61 -101.50  8.55 25  1 "[    .    1    .    2    +]" 
        25 PSI 1  35 ARG N 1  35 ARG CA 1  35 ARG C  1  36 ASP N  112.60  156.50  121.34  103.23  134.72  9.37  6  2 "[    .+   1    .    2 -  .]" 
        26 PHI 1  35 ARG C 1  36 ASP N  1  36 ASP CA 1  36 ASP C -113.30  -53.40  -77.84  -76.54  -78.82     .  .  0 "[    .    1    .    2    .]" 
        27 PSI 1  36 ASP N 1  36 ASP CA 1  36 ASP C  1  37 LEU N   94.30  158.20  119.17  140.56  135.31  7.44  4  2 "[   +.    1    . -  2    .]" 
        28 PHI 1  37 LEU C 1  38 GLY N  1  38 GLY CA 1  38 GLY C -155.70  -77.10 -176.59 -173.63 -176.71 39.97 11 24 "[*******-**+********* ****]" 
        29 PSI 1  38 GLY N 1  38 GLY CA 1  38 GLY C  1  39 GLU N  121.60 -173.30 -154.41 -162.27  159.90 33.63 12 20 "[ ***. *****+  ********-**]" 
        30 PHI 1  38 GLY C 1  39 GLU N  1  39 GLU CA 1  39 GLU C -132.70  -72.80 -127.64 -150.48  -71.57 17.78 17 14 "[ ***.  **1**  .*+* -*  **]" 
        31 PSI 1  39 GLU N 1  39 GLU CA 1  39 GLU C  1  40 VAL N  108.30  172.20  136.15  134.05  133.53     .  .  0 "[    .    1    .    2    .]" 
        32 PHI 1  39 GLU C 1  40 VAL N  1  40 VAL CA 1  40 VAL C -154.90 -114.90 -129.14 -147.86 -104.72 10.18  3  1 "[  + .    1    .    2    .]" 
        33 PSI 1  40 VAL N 1  40 VAL CA 1  40 VAL C  1  41 SER N  138.60 -177.50  156.49  157.13  156.04     .  .  0 "[    .    1    .    2    .]" 
        34 PHI 1  40 VAL C 1  41 SER N  1  41 SER CA 1  41 SER C -160.10 -110.10 -130.98 -121.68 -125.20     .  .  0 "[    .    1    .    2    .]" 
        35 PSI 1  41 SER N 1  41 SER CA 1  41 SER C  1  42 GLY N  129.10  173.00  143.10  150.24  148.13  5.51  3  1 "[  + .    1    .    2    .]" 
        36 PHI 1  42 GLY C 1  43 ASP N  1  43 ASP CA 1  43 ASP C -173.50 -113.50 -108.56 -111.62 -113.82 19.91 19 14 "[ *  * * **   ****-+2* **.]" 
        37 PSI 1  43 ASP N 1  43 ASP CA 1  43 ASP C  1  44 SER N  124.90 -171.20  138.62  120.83  173.15  4.07 22  0 "[    .    1    .    2    .]" 
        38 PHI 1  43 ASP C 1  44 SER N  1  44 SER CA 1  44 SER C -131.00  -71.00 -125.88 -116.98 -118.84 19.47 19  4 "[    .  - 1   **   +2    .]" 
        39 PSI 1  44 SER N 1  44 SER CA 1  44 SER C  1  45 CYS N   98.60  162.50   88.29   65.92  109.79 32.68 15 17 "[ *  * * ***  *+-****** **]" 
        40 PHI 1  44 SER C 1  45 CYS N  1  45 CYS CA 1  45 CYS C -117.50  -77.10  -94.60  -92.97  -94.14  3.45 15  0 "[    .    1    .    2    .]" 
        41 PSI 1  45 CYS N 1  45 CYS CA 1  45 CYS C  1  46 GLN N  117.00  166.30  128.57  105.84  151.72 11.16 22  1 "[    .    1    .    2 +  .]" 
        42 PHI 1  45 CYS C 1  46 GLN N  1  46 GLN CA 1  46 GLN C -156.90 -116.90 -106.95 -110.75 -112.57 20.76 19 16 "[ *  * * **** *** *+2**-*.]" 
        43 PSI 1  46 GLN N 1  46 GLN CA 1  46 GLN C  1  47 ALA N  101.30  145.20  119.06  115.81  112.86 22.14 13  3 "[    .    1  + *    2   -.]" 
        44 PHI 1  46 GLN C 1  47 ALA N  1  47 ALA CA 1  47 ALA C  -78.70  -54.70  -74.73  -90.10  -54.85 11.40  7  4 "[    .*+  1*   .    2 -  .]" 
        45 PSI 1  47 ALA N 1  47 ALA CA 1  47 ALA C  1  48 SER N  -54.30  -22.30  -31.10  -69.79   -6.14 16.16 19  4 "[    .    1-   .   +2   **]" 
        46 PHI 1  47 ALA C 1  48 SER N  1  48 SER CA 1  48 SER C -156.60 -116.60 -148.06 -166.32  -95.88 20.72 22  5 "[    .    -   *. * *2 +  .]" 
        47 PSI 1  48 SER N 1  48 SER CA 1  48 SER C  1  49 ASN N  140.60 -175.40  177.52  177.33  172.18 15.14 10  2 "[    .   -+    .    2    .]" 
        48 PHI 1  48 SER C 1  49 ASN N  1  49 ASN CA 1  49 ASN C  -72.20  -52.00  -73.85  -71.71  -75.97 10.87  9 10 "[  * . * +1* - *  * ***  .]" 
        49 PSI 1  49 ASN N 1  49 ASN CA 1  49 ASN C  1  50 GLN N  -50.30  -15.60  -14.44  -40.35    2.99 18.59 20 11 "[* **.   *1- * * ** +*   .]" 
        50 PHI 1  49 ASN C 1  50 GLN N  1  50 GLN CA 1  50 GLN C  -95.50  -45.50  -81.55  -94.98  -63.30     .  .  0 "[    .    1    .    2    .]" 
        51 PSI 1  50 GLN N 1  50 GLN CA 1  50 GLN C  1  51 ASP N  -60.40   23.50    0.48   -7.88  -20.39 35.95 16  4 "[ -  .*   1    .+   2    *]" 
        52 PHI 1  50 GLN C 1  51 ASP N  1  51 ASP CA 1  51 ASP C -143.20  -63.20  -95.27 -143.07  -74.84     .  .  0 "[    .    1    .    2    .]" 
        53 PSI 1  51 ASP N 1  51 ASP CA 1  51 ASP C  1  52 SER N  101.50 -174.70 -174.16 -162.05 -166.58 25.86  2 10 "[-+* **   ***  * *  2    .]" 
        54 PHI 1  51 ASP C 1  52 SER N  1  52 SER CA 1  52 SER C -146.90  -57.00  -77.96 -106.45  -58.34     .  .  0 "[    .    1    .    2    .]" 
        55 PSI 1  52 SER N 1  52 SER CA 1  52 SER C  1  53 PRO N  108.70 -167.50  138.69  135.95  133.06     .  .  0 "[    .    1    .    2    .]" 
        56 PHI 1  55 SER C 1  56 ILE N  1  56 ILE CA 1  56 ILE C  -69.70  -49.70  -59.52  -69.68  -52.41     .  .  0 "[    .    1    .    2    .]" 
        57 PSI 1  56 ILE N 1  56 ILE CA 1  56 ILE C  1  57 PRO N  -55.00  -33.00  -49.76  -53.83  -43.94     .  .  0 "[    .    1    .    2    .]" 
        58 PSI 1  57 PRO N 1  57 PRO CA 1  57 PRO C  1  58 THR N  -53.50  -28.90  -27.18  -35.82  -19.79  9.11 19  4 "[    .   *1*   .  -+2    .]" 
        59 PHI 1  57 PRO C 1  58 THR N  1  58 THR CA 1  58 THR C  -73.60  -53.60  -71.73  -77.80  -66.06  4.20 19  0 "[    .    1    .    2    .]" 
        60 PSI 1  58 THR N 1  58 THR CA 1  58 THR C  1  59 ALA N  -55.50  -33.50  -47.41  -49.27  -50.60     .  .  0 "[    .    1    .    2    .]" 
        61 PHI 1  58 THR C 1  59 ALA N  1  59 ALA CA 1  59 ALA C  -70.50  -50.50  -62.52  -67.13  -58.19     .  .  0 "[    .    1    .    2    .]" 
        62 PSI 1  59 ALA N 1  59 ALA CA 1  59 ALA C  1  60 ARG N  -54.80  -32.90  -38.04  -43.01  -33.70     .  .  0 "[    .    1    .    2    .]" 
        63 PHI 1  59 ALA C 1  60 ARG N  1  60 ARG CA 1  60 ARG C  -72.70  -52.70  -62.71  -62.69  -63.20     .  .  0 "[    .    1    .    2    .]" 
        64 PSI 1  60 ARG N 1  60 ARG CA 1  60 ARG C  1  61 LYS N  -55.20  -33.20  -36.71  -38.62  -38.69  1.63 19  0 "[    .    1    .    2    .]" 
        65 PHI 1  60 ARG C 1  61 LYS N  1  61 LYS CA 1  61 LYS C  -74.00  -54.00  -68.29  -66.76  -67.85  0.28  5  0 "[    .    1    .    2    .]" 
        66 PSI 1  61 LYS N 1  61 LYS CA 1  61 LYS C  1  62 ARG N  -55.00  -33.00  -44.12  -49.11  -37.71     .  .  0 "[    .    1    .    2    .]" 
        67 PHI 1  61 LYS C 1  62 ARG N  1  62 ARG CA 1  62 ARG C  -76.80  -56.80  -60.56  -65.09  -56.36  0.44 20  0 "[    .    1    .    2    .]" 
        68 PSI 1  62 ARG N 1  62 ARG CA 1  62 ARG C  1  63 MET N  -52.30  -30.30  -40.69  -43.11  -43.98     .  .  0 "[    .    1    .    2    .]" 
        69 PHI 1  62 ARG C 1  63 MET N  1  63 MET CA 1  63 MET C  -72.00  -52.00  -64.53  -62.05  -62.57     .  .  0 "[    .    1    .    2    .]" 
        70 PSI 1  63 MET N 1  63 MET CA 1  63 MET C  1  64 GLN N  -55.00  -33.00  -39.75  -44.28  -35.33     .  .  0 "[    .    1    .    2    .]" 
        71 PHI 1  63 MET C 1  64 GLN N  1  64 GLN CA 1  64 GLN C  -73.30  -53.30  -61.79  -64.91  -58.11     .  .  0 "[    .    1    .    2    .]" 
        72 PSI 1  64 GLN N 1  64 GLN CA 1  64 GLN C  1  65 ILE N  -55.00  -33.10  -48.07  -40.97  -42.67  3.92  9  0 "[    .    1    .    2    .]" 
        73 PHI 1  64 GLN C 1  65 ILE N  1  65 ILE CA 1  65 ILE C  -74.30  -54.30  -65.48  -69.24  -61.57     .  .  0 "[    .    1    .    2    .]" 
        74 PSI 1  65 ILE N 1  65 ILE CA 1  65 ILE C  1  66 ASN N  -50.30  -28.40  -37.66  -38.04  -38.53     .  .  0 "[    .    1    .    2    .]" 
        75 PHI 1  65 ILE C 1  66 ASN N  1  66 ASN CA 1  66 ASN C  -77.70  -57.70  -62.88  -73.41  -56.80  0.90  3  0 "[    .    1    .    2    .]" 
        76 PSI 1  66 ASN N 1  66 ASN CA 1  66 ASN C  1  67 ALA N  -54.10  -32.20  -39.62  -38.84  -39.74  4.95 18  0 "[    .    1    .    2    .]" 
        77 PHI 1  66 ASN C 1  67 ALA N  1  67 ALA CA 1  67 ALA C  -72.70  -52.70  -68.11  -78.91  -60.90  6.21 18  1 "[    .    1    .  + 2    .]" 
        78 PSI 1  67 ALA N 1  67 ALA CA 1  67 ALA C  1  68 SER N  -49.20  -27.20  -43.31  -42.07  -42.73     .  .  0 "[    .    1    .    2    .]" 
        79 PHI 1  67 ALA C 1  68 SER N  1  68 SER CA 1  68 SER C  -82.00  -42.00  -65.57  -70.05  -60.67     .  .  0 "[    .    1    .    2    .]" 
        80 PSI 1  68 SER N 1  68 SER CA 1  68 SER C  1  69 LYS N  -61.40  -19.50  -34.76  -33.81  -34.94     .  .  0 "[    .    1    .    2    .]" 
        81 PHI 1  68 SER C 1  69 LYS N  1  69 LYS CA 1  69 LYS C  -92.30  -32.30  -73.76  -74.70  -75.64     .  .  0 "[    .    1    .    2    .]" 
        82 PSI 1  69 LYS N 1  69 LYS CA 1  69 LYS C  1  70 MET N  -62.90    1.00  -15.37  -26.63   -0.97     .  .  0 "[    .    1    .    2    .]" 
        83 PHI 1  73 ASN C 1  74 ALA N  1  74 ALA CA 1  74 ALA C -175.10 -105.10 -154.01 -151.04 -151.80     .  .  0 "[    .    1    .    2    .]" 
        84 PSI 1  74 ALA N 1  74 ALA CA 1  74 ALA C  1  75 VAL N   89.90  163.80  124.81   97.82  144.16     .  .  0 "[    .    1    .    2    .]" 
        85 PHI 1  74 ALA C 1  75 VAL N  1  75 VAL CA 1  75 VAL C -143.10 -103.10 -111.87 -131.02  -92.65 10.45  4  4 "[   +.* - 1    *    2    .]" 
        86 PSI 1  75 VAL N 1  75 VAL CA 1  75 VAL C  1  76 LEU N  111.90  155.80  111.30  100.98  122.14 10.92 13  3 "[    .    1  +*-    2    .]" 
        87 PHI 1  75 VAL C 1  76 LEU N  1  76 LEU CA 1  76 LEU C -112.60  -72.60  -78.39  -94.03  -72.78     .  .  0 "[    .    1    .    2    .]" 
        88 PSI 1  76 LEU N 1  76 LEU CA 1  76 LEU C  1  77 LEU N   89.00  152.90   93.85   90.46   89.20  1.62  1  0 "[    .    1    .    2    .]" 
        89 PHI 1  76 LEU C 1  77 LEU N  1  77 LEU CA 1  77 LEU C -117.40  -37.40  -63.00  -62.51  -62.88     .  .  0 "[    .    1    .    2    .]" 
        90 PSI 1  77 LEU N 1  77 LEU CA 1  77 LEU C  1  78 HIS N   97.20  161.00  127.43  114.74  136.61     .  .  0 "[    .    1    .    2    .]" 
        91 PHI 1  77 LEU C 1  78 HIS N  1  78 HIS CA 1  78 HIS C -144.40  -74.40 -109.00 -106.39 -108.33     .  .  0 "[    .    1    .    2    .]" 
        92 PHI 1  79 SER C 1  80 CYS N  1  80 CYS CA 1  80 CYS C -148.10  -98.10 -114.15  -98.78 -101.79 10.06 10  2 "[    .    +    .-   2    .]" 
        93 PSI 1  80 CYS N 1  80 CYS CA 1  80 CYS C  1  81 GLU N   94.00  147.90   85.61   87.37   85.25 25.94 13 16 "[*** .*   1* + *****- ****]" 
        94 PHI 1  80 CYS C 1  81 GLU N  1  81 GLU CA 1  81 GLU C -160.30 -100.30  -85.74  -95.71  -97.42 30.51 15 21 "[ ************ +*-**2 ****]" 
        95 PSI 1  81 GLU N 1  81 GLU CA 1  81 GLU C  1  82 VAL N   95.50  179.30  125.46   91.66  166.58  3.84  2  0 "[    .    1    .    2    .]" 
        96 PHI 1  81 GLU C 1  82 VAL N  1  82 VAL CA 1  82 VAL C -138.70  -78.70 -111.99 -168.92  -85.47 30.22 10  3 "[    . *  +    .  - 2    .]" 
        97 PSI 1  82 VAL N 1  82 VAL CA 1  82 VAL C  1  83 THR N   87.20  151.00  112.23  117.14  112.16  7.57  5  1 "[    +    1    .    2    .]" 
        98 PHI 1  82 VAL C 1  83 THR N  1  83 THR CA 1  83 THR C -144.90  -85.00  -95.69 -145.13  -69.80 15.20 21  4 "[    .    1    . *  2+ - *]" 
        99 PSI 1  83 THR N 1  83 THR CA 1  83 THR C  1  84 SER N  108.30  172.20  131.27  141.58  136.09  8.76 13  1 "[    .    1  + .    2    .]" 
       100 PHI 1  83 THR C 1  84 SER N  1  84 SER CA 1  84 SER C -117.80  -57.10 -124.12 -139.60 -104.86 21.80  7 13 "[** *. +***   *.  ****-  .]" 
       101 PSI 1  84 SER N 1  84 SER CA 1  84 SER C  1  85 GLY N   99.00  170.70  128.64   78.76  157.49 20.24 23  2 "[   -.    1    .    2  + .]" 
       102 PHI 1  90 TYR C 1  91 ARG N  1  91 ARG CA 1  91 ARG C -132.50  -82.50 -138.64 -150.08 -122.56 17.58 18 15 "[**  ***  -****.* +*2 * *.]" 
       103 PSI 1  91 ARG N 1  91 ARG CA 1  91 ARG C  1  92 GLN N  100.60  163.30  124.08  116.80  113.22     .  .  0 "[    .    1    .    2    .]" 
       104 PHI 1  91 ARG C 1  92 GLN N  1  92 GLN CA 1  92 GLN C -140.10  -90.10 -128.02 -143.55 -114.02  3.45 16  0 "[    .    1    .    2    .]" 
       105 PSI 1  92 GLN N 1  92 GLN CA 1  92 GLN C  1  93 ALA N  100.40  160.30  114.23   94.47  154.48  5.93 17  2 "[    .    1    . +  2-   .]" 
       106 PHI 1  92 GLN C 1  93 ALA N  1  93 ALA CA 1  93 ALA C -123.80  -83.80 -102.06  -89.34  -91.05  6.17 13  1 "[    .    1  + .    2    .]" 
       107 PSI 1  93 ALA N 1  93 ALA CA 1  93 ALA C  1  94 VAL N  106.50  150.40  112.15   98.63  143.28  7.87 21  3 "[ -  .   *1    .    2+   .]" 
       108 PHI 1  93 ALA C 1  94 VAL N  1  94 VAL CA 1  94 VAL C -122.70  -82.80 -111.83 -101.99 -104.87 10.02  8  3 "[    . -+ 1*   .    2    .]" 
       109 PSI 1  94 VAL N 1  94 VAL CA 1  94 VAL C  1  95 CYS N  102.00  145.90  106.91   91.95  148.39 10.05  2  2 "[ +  . -  1    .    2    .]" 
       110 PHI 1  94 VAL C 1  95 CYS N  1  95 CYS CA 1  95 CYS C -138.80  -98.80  -95.22  -90.95  -92.32 15.58  2 11 "[ +  . * **  *-**  **  * .]" 
       111 PSI 1  95 CYS N 1  95 CYS CA 1  95 CYS C  1  96 ILE N  120.40  161.30  115.61  100.43  138.34 19.97 21 12 "[    .**  ***  **   -+***.]" 
       112 PHI 1  95 CYS C 1  96 ILE N  1  96 ILE CA 1  96 ILE C -150.40  -90.40 -107.34 -109.25 -112.00     .  .  0 "[    .    1    .    2    .]" 
       113 PSI 1  96 ILE N 1  96 ILE CA 1  96 ILE C  1  97 GLY N   98.00  161.90  131.02  125.49  139.85     .  .  0 "[    .    1    .    2    .]" 
       114 PHI 1  96 ILE C 1  97 GLY N  1  97 GLY CA 1  97 GLY C -163.20  -78.40 -154.86 -155.78 -157.93  1.34  7  0 "[    .    1    .    2    .]" 
       115 PSI 1  97 GLY N 1  97 GLY CA 1  97 GLY C  1  98 SER N   82.80  168.30  154.87  144.58  167.60     .  .  0 "[    .    1    .    2    .]" 
       116 PHI 1  97 GLY C 1  98 SER N  1  98 SER CA 1  98 SER C -136.00  -56.00  -77.13  -74.47  -75.02     .  .  0 "[    .    1    .    2    .]" 
       117 PSI 1  98 SER N 1  98 SER CA 1  98 SER C  1  99 ALA N   90.50  174.40  132.94  139.97  138.26     .  .  0 "[    .    1    .    2    .]" 
       118 PHI 1  98 SER C 1  99 ALA N  1  99 ALA CA 1  99 ALA C -109.80  -29.90  -91.65 -101.95  -80.08     .  .  0 "[    .    1    .    2    .]" 
       119 PSI 1  99 ALA N 1  99 ALA CA 1  99 ALA C  1 100 LEU N   99.00 -177.10  105.63  106.31  105.57 10.20 15  1 "[    .    1    +    2    .]" 
       120 PHI 1  99 ALA C 1 100 LEU N  1 100 LEU CA 1 100 LEU C -147.80  -87.80 -113.94 -121.38 -102.22     .  .  0 "[    .    1    .    2    .]" 
       121 PSI 1 100 LEU N 1 100 LEU CA 1 100 LEU C  1 101 ASN N  111.50  175.40  157.69  145.72  166.27     .  .  0 "[    .    1    .    2    .]" 
       122 PHI 1 100 LEU C 1 101 ASN N  1 101 ASN CA 1 101 ASN C -147.10  -87.10 -116.28 -113.96 -116.64     .  .  0 "[    .    1    .    2    .]" 
       123 PSI 1 101 ASN N 1 101 ASN CA 1 101 ASN C  1 102 ILE N   94.00  157.90  119.37   95.32  171.43 13.53  6  1 "[    .+   1    .    2    .]" 
       124 PHI 1 101 ASN C 1 102 ILE N  1 102 ILE CA 1 102 ILE C -123.90  -43.90  -78.23  -79.08  -89.70     .  .  0 "[    .    1    .    2    .]" 
       125 PSI 1 102 ILE N 1 102 ILE CA 1 102 ILE C  1 103 THR N   83.50  167.40  113.46  125.09  119.90     .  .  0 "[    .    1    .    2    .]" 
       126 PHI 1 102 ILE C 1 103 THR N  1 103 THR CA 1 103 THR C -104.30  -24.30  -97.30  -94.97  -96.89 11.55 14  4 "[    .    -   +.  * *    .]" 
       127 PSI 1 103 THR N 1 103 THR CA 1 103 THR C  1 104 ALA N   96.90 -179.30   97.11   98.53   88.51 39.31  3 14 "[* +****  **  ** * *2  - *]" 
       128 PHI 1 103 THR C 1 104 ALA N  1 104 ALA CA 1 104 ALA C -138.00  -38.00  -85.48  -95.27 -101.63     .  .  0 "[    .    1    .    2    .]" 
       129 PSI 1 104 ALA N 1 104 ALA CA 1 104 ALA C  1 105 LYS N  -70.30   33.50  -15.52  -83.46   77.01 43.51  4  4 "[   +. *  1  - .    *    .]" 
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