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
595510 2n7p 25816 cing 4-filtered-FRED Wattos check violation distance


data_2n7p


save_distance_constraint_statistics_1
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            1
    _Distance_constraint_stats_list.Constraint_count              627
    _Distance_constraint_stats_list.Viol_count                    873
    _Distance_constraint_stats_list.Viol_total                    634.552
    _Distance_constraint_stats_list.Viol_max                      0.331
    _Distance_constraint_stats_list.Viol_rms                      0.0130
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0025
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0363
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

Description of the tags in the per residue table below:
*  1 * Chain identifier (can be absent if none defined)                   
*  2 * Residue number                                                     
*  3 * Residue name                                                       
*  4 * Maximum violation in ensemble of models (without any averaging)
*  5 * Model number with the maximum violation
*  6 * Number of models with a violation above cutoff
*  7 * List of models (1 character per model) with a violation above cutoff.
           An '*' marks a violation above the cutoff. A '+' indicates the largest
           violation above the cutoff and a '-' marks the smallest violation over cutoff.
           For models  5, 15, 25,... a ' ' is replaced by a '.'.
           For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
*  8 * Administrative tag
*  9 * Administrative tag

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                                
           First node, FIRST member, first atom's:                              
*  2 * Chain identifier (can be absent if none defined)                   
*  3 * Residue number                                                     
*  4 * Residue name                                                       
*  5 * Name of (pseudo-)atom                                              
           First node, SECOND member, first atom's:                             
*  6 * Chain identifier (can be absent if none defined)                   
*  7 * Residue number                                                     
*  8 * Residue name                                                       
*  9 * Name of (pseudo-)atom                                              
           FIRST node's:
*  10 * Target distance value (Angstrom)
*  11 * Lower bound distance (Angstrom)
*  12 * Upper bound distance (Angstrom)
*  13 * Average distance in ensemble of models
*  14 * Minimum distance in ensemble of models
*  15 * Maximum distance in ensemble of models
*  16 * Maximum violation (without any averaging)
*  17 * Model number with the maximum violation
*  18 * Number of models with a violation above cutoff
*  19 * List of models with a violation above cutoff. See description above.
*  20 * Administrative tag
*  21 * Administrative tag
;


    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1   1 PRO 0.081 0.052  2 0 "[    .    1    .    2]" 
       1   2 LEU 0.318 0.072 17 0 "[    .    1    .    2]" 
       1   3 THR 0.148 0.050 19 0 "[    .    1    .    2]" 
       1   4 ARG 0.116 0.044  5 0 "[    .    1    .    2]" 
       1   5 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
       1   6 TYR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1   7 LEU 1.366 0.168 19 0 "[    .    1    .    2]" 
       1   8 GLY 0.129 0.025 16 0 "[    .    1    .    2]" 
       1   9 PHE 2.480 0.168 19 0 "[    .    1    .    2]" 
       1  10 ARG 0.560 0.077 11 0 "[    .    1    .    2]" 
       1  11 VAL 0.020 0.020 11 0 "[    .    1    .    2]" 
       1  12 ALA 0.021 0.012 13 0 "[    .    1    .    2]" 
       1  13 VAL 0.128 0.022  3 0 "[    .    1    .    2]" 
       1  14 GLY 0.290 0.034 20 0 "[    .    1    .    2]" 
       1  15 ARG 0.077 0.033 19 0 "[    .    1    .    2]" 
       1  16 ASP 1.423 0.087 19 0 "[    .    1    .    2]" 
       1  17 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  18 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  19 GLY 0.015 0.015 20 0 "[    .    1    .    2]" 
       1  20 CYS 0.417 0.087 19 0 "[    .    1    .    2]" 
       1  21 THR 0.426 0.070  9 0 "[    .    1    .    2]" 
       1  22 THR 0.861 0.072  7 0 "[    .    1    .    2]" 
       1  23 LEU 0.531 0.050  9 0 "[    .    1    .    2]" 
       1  24 SER 0.043 0.013  4 0 "[    .    1    .    2]" 
       1  25 ILE 0.020 0.018  7 0 "[    .    1    .    2]" 
       1  26 GLN 0.928 0.077 11 0 "[    .    1    .    2]" 
       1  27 GLU 0.058 0.021 17 0 "[    .    1    .    2]" 
       1  28 VAL 0.610 0.058  4 0 "[    .    1    .    2]" 
       1  29 THR 0.178 0.025 16 0 "[    .    1    .    2]" 
       1  30 GLN 0.971 0.121 13 0 "[    .    1    .    2]" 
       1  31 THR 1.476 0.128 15 0 "[    .    1    .    2]" 
       1  32 TYR 0.772 0.167 13 0 "[    .    1    .    2]" 
       1  33 THR 0.816 0.086  8 0 "[    .    1    .    2]" 
       1  34 GLY 1.109 0.167 13 0 "[    .    1    .    2]" 
       1  35 SER 0.384 0.091 19 0 "[    .    1    .    2]" 
       1  36 ASN 0.414 0.072 17 0 "[    .    1    .    2]" 
       1  37 GLY 1.604 0.178 17 0 "[    .    1    .    2]" 
       1  38 GLY 0.495 0.086  8 0 "[    .    1    .    2]" 
       1  39 ALA 0.587 0.091 19 0 "[    .    1    .    2]" 
       1  40 ASP 0.715 0.068 15 0 "[    .    1    .    2]" 
       1  41 LEU 0.305 0.086 12 0 "[    .    1    .    2]" 
       1  42 MET 0.014 0.014 13 0 "[    .    1    .    2]" 
       1  43 GLY 0.869 0.128 15 0 "[    .    1    .    2]" 
       1  44 PRO 0.568 0.080 19 0 "[    .    1    .    2]" 
       1  45 ALA 0.188 0.084 20 0 "[    .    1    .    2]" 
       1  46 PHE 0.087 0.087 20 0 "[    .    1    .    2]" 
       1  47 ALA 0.052 0.052 20 0 "[    .    1    .    2]" 
       1  48 ALA 0.547 0.073 11 0 "[    .    1    .    2]" 
       1  49 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  50 LEU 0.971 0.121 13 0 "[    .    1    .    2]" 
       1  51 ARG 0.134 0.033 20 0 "[    .    1    .    2]" 
       1  52 VAL 0.747 0.058 19 0 "[    .    1    .    2]" 
       1  53 GLY 0.136 0.033 20 0 "[    .    1    .    2]" 
       1  54 ASP 0.027 0.024 17 0 "[    .    1    .    2]" 
       1  55 GLN 1.138 0.118 18 0 "[    .    1    .    2]" 
       1  56 LEU 0.136 0.069 18 0 "[    .    1    .    2]" 
       1  57 VAL 0.697 0.090 14 0 "[    .    1    .    2]" 
       1  58 ARG 0.596 0.137  2 0 "[    .    1    .    2]" 
       1  59 PHE 2.326 0.203 13 0 "[    .    1    .    2]" 
       1  60 ALA 1.988 0.177 11 0 "[    .    1    .    2]" 
       1  61 GLY 0.115 0.066 13 0 "[    .    1    .    2]" 
       1  62 TYR 0.443 0.097 10 0 "[    .    1    .    2]" 
       1  63 THR 2.171 0.203 13 0 "[    .    1    .    2]" 
       1  64 VAL 0.222 0.040  6 0 "[    .    1    .    2]" 
       1  65 THR 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  66 GLU 0.342 0.050  9 0 "[    .    1    .    2]" 
       1  67 LEU 2.672 0.149 10 0 "[    .    1    .    2]" 
       1  68 ALA 0.036 0.016 19 0 "[    .    1    .    2]" 
       1  69 ALA 0.155 0.028  4 0 "[    .    1    .    2]" 
       1  70 PHE 3.621 0.149 10 0 "[    .    1    .    2]" 
       1  71 ASN 0.627 0.062 11 0 "[    .    1    .    2]" 
       1  72 THR 1.158 0.108 18 0 "[    .    1    .    2]" 
       1  73 VAL 0.703 0.077 13 0 "[    .    1    .    2]" 
       1  74 VAL 1.830 0.123 10 0 "[    .    1    .    2]" 
       1  75 ALA 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  76 ARG 1.397 0.108 18 0 "[    .    1    .    2]" 
       1  77 HIS 1.196 0.171 17 0 "[    .    1    .    2]" 
       1  78 VAL 0.425 0.094 14 0 "[    .    1    .    2]" 
       1  79 ARG 1.085 0.171 17 0 "[    .    1    .    2]" 
       1  80 PRO 1.009 0.178 17 0 "[    .    1    .    2]" 
       1  81 SER 1.080 0.136  1 0 "[    .    1    .    2]" 
       1  82 ALA 0.091 0.038 17 0 "[    .    1    .    2]" 
       1  83 SER 0.007 0.007 14 0 "[    .    1    .    2]" 
       1  84 ILE 0.015 0.015 16 0 "[    .    1    .    2]" 
       1  85 PRO 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  86 VAL 0.489 0.065 14 0 "[    .    1    .    2]" 
       1  87 VAL 2.424 0.137  2 0 "[    .    1    .    2]" 
       1  88 PHE 1.016 0.123  9 0 "[    .    1    .    2]" 
       1  89 SER 0.854 0.079 18 0 "[    .    1    .    2]" 
       1  90 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  91 ASP 0.973 0.073 20 0 "[    .    1    .    2]" 
       1  92 GLY 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  93 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  94 VAL 0.312 0.097 10 0 "[    .    1    .    2]" 
       1  95 MET 0.772 0.123  9 0 "[    .    1    .    2]" 
       1  96 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1  97 ALA 0.531 0.065 14 0 "[    .    1    .    2]" 
       1  98 THR 0.489 0.073 11 0 "[    .    1    .    2]" 
       1  99 ILE 0.007 0.007 14 0 "[    .    1    .    2]" 
       1 100 VAL 0.517 0.331 17 0 "[    .    1    .    2]" 
       1 101 VAL 1.477 0.331 17 0 "[    .    1    .    2]" 
       1 102 GLY 1.058 0.136  1 0 "[    .    1    .    2]" 
       1 103 GLU 0.025 0.013 17 0 "[    .    1    .    2]" 
       1 104 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

         1 1   1 PRO HA   1   2 LEU H    1.800 . 3.600 2.474 2.152 3.153     .  0 0 "[    .    1    .    2]" 1 
         2 1   1 PRO HB2  1   2 LEU H    1.800 . 4.600 3.425 2.073 4.311     .  0 0 "[    .    1    .    2]" 1 
         3 1   2 LEU H    1   3 THR MG   1.800 . 6.000 4.903 3.436 5.915     .  0 0 "[    .    1    .    2]" 1 
         4 1   2 LEU H    1   3 THR H    1.800 . 6.000 3.154 1.928 4.358     .  0 0 "[    .    1    .    2]" 1 
         5 1   2 LEU HA   1   3 THR H    1.800 . 3.600 2.498 2.161 2.959     .  0 0 "[    .    1    .    2]" 1 
         6 1   3 THR H    1   3 THR MG   1.800 . 6.000 3.307 2.050 3.953     .  0 0 "[    .    1    .    2]" 1 
         7 1   3 THR H    1   4 ARG H    1.800 . 6.000 4.515 4.453 4.583     .  0 0 "[    .    1    .    2]" 1 
         8 1   3 THR H    1  76 ARG H    1.800 . 6.500 5.918 4.607 6.550 0.050 19 0 "[    .    1    .    2]" 1 
         9 1   3 THR HA   1   4 ARG H    1.800 . 3.600 2.376 2.297 2.446     .  0 0 "[    .    1    .    2]" 1 
        10 1   3 THR HB   1   4 ARG H    1.800 . 4.600 3.514 2.856 3.926     .  0 0 "[    .    1    .    2]" 1 
        11 1   3 THR MG   1   4 ARG H    1.800 . 6.000 2.384 1.904 3.246     .  0 0 "[    .    1    .    2]" 1 
        12 1   5 PRO HA   1   6 TYR H    1.800 . 3.600 2.544 2.242 3.562     .  0 0 "[    .    1    .    2]" 1 
        13 1   6 TYR HB2  1   7 LEU H    1.800 . 5.600 3.987 2.692 4.483     .  0 0 "[    .    1    .    2]" 1 
        14 1   6 TYR HA   1   7 LEU H    1.800 . 3.600 2.231 2.147 2.300     .  0 0 "[    .    1    .    2]" 1 
        15 1   6 TYR HB3  1   7 LEU H    1.800 . 5.600 3.505 2.703 4.165     .  0 0 "[    .    1    .    2]" 1 
        16 1   6 TYR H    1   7 LEU H    1.800 . 6.200 4.465 4.314 4.596     .  0 0 "[    .    1    .    2]" 1 
        17 1   7 LEU H    1   9 PHE H    1.800 . 5.600 5.657 5.376 5.768 0.168 19 0 "[    .    1    .    2]" 1 
        18 1   8 GLY HA2  1  29 THR HB   1.800 . 6.200 5.995 5.540 6.225 0.025 16 0 "[    .    1    .    2]" 1 
        19 1   8 GLY HA2  1   9 PHE H    1.800 . 4.600 2.962 2.202 3.194     .  0 0 "[    .    1    .    2]" 1 
        20 1   8 GLY HA3  1   9 PHE H    1.800 . 4.600 3.458 3.351 3.565     .  0 0 "[    .    1    .    2]" 1 
        21 1   9 PHE H    1  10 ARG H    1.800 . 5.600 4.415 4.354 4.600     .  0 0 "[    .    1    .    2]" 1 
        22 1   9 PHE H    1  67 LEU HB3  1.800 . 6.000 6.040 6.004 6.129 0.129 11 0 "[    .    1    .    2]" 1 
        23 1   9 PHE HB3  1  28 VAL MG2  1.800 . 6.000 5.377 4.955 5.850     .  0 0 "[    .    1    .    2]" 1 
        24 1   9 PHE HA   1  28 VAL MG2  1.800 . 6.000 5.948 5.673 6.058 0.058  4 0 "[    .    1    .    2]" 1 
        25 1   9 PHE HB3  1  10 ARG H    1.800 . 4.600 3.649 3.478 3.891     .  0 0 "[    .    1    .    2]" 1 
        26 1   9 PHE HB2  1  10 ARG H    1.800 . 4.600 2.184 1.948 2.498     .  0 0 "[    .    1    .    2]" 1 
        27 1   9 PHE HA   1  10 ARG H    1.800 . 4.600 2.554 2.422 2.683     .  0 0 "[    .    1    .    2]" 1 
        28 1  10 ARG H    1  26 GLN H    1.800 . 5.100 3.690 3.172 4.210     .  0 0 "[    .    1    .    2]" 1 
        29 1  10 ARG H    1  27 GLU H    1.800 . 4.900 3.536 2.982 3.909     .  0 0 "[    .    1    .    2]" 1 
        30 1  10 ARG H    1  26 GLN HA   1.800 . 6.200 5.791 5.509 6.213 0.013 16 0 "[    .    1    .    2]" 1 
        31 1  10 ARG HA   1  26 GLN HB2  1.800 . 5.200 5.225 5.144 5.277 0.077 11 0 "[    .    1    .    2]" 1 
        32 1  10 ARG HB2  1  26 GLN HB2  1.800 . 5.200 2.571 2.263 3.096     .  0 0 "[    .    1    .    2]" 1 
        33 1  10 ARG HA   1  11 VAL H    1.800 . 5.600 2.283 2.197 2.419     .  0 0 "[    .    1    .    2]" 1 
        34 1  10 ARG HB2  1  11 VAL H    1.800 . 5.600 4.038 3.703 4.313     .  0 0 "[    .    1    .    2]" 1 
        35 1  10 ARG HB3  1  11 VAL H    1.800 . 5.600 2.829 2.425 3.201     .  0 0 "[    .    1    .    2]" 1 
        36 1  10 ARG H    1  11 VAL H    1.800 . 5.600 4.489 4.428 4.515     .  0 0 "[    .    1    .    2]" 1 
        37 1  11 VAL H    1  26 GLN HE22 1.800 . 5.000 3.998 2.804 4.973     .  0 0 "[    .    1    .    2]" 1 
        38 1  11 VAL HA   1  12 ALA H    1.800 . 3.600 2.156 2.140 2.188     .  0 0 "[    .    1    .    2]" 1 
        39 1  11 VAL HB   1  12 ALA H    1.800 . 4.600 3.642 3.044 4.256     .  0 0 "[    .    1    .    2]" 1 
        40 1  12 ALA H    1  23 LEU HG   1.800 . 4.600 4.094 3.707 4.541     .  0 0 "[    .    1    .    2]" 1 
        41 1  12 ALA MB   1  23 LEU HG   1.800 . 6.000 4.718 4.370 4.970     .  0 0 "[    .    1    .    2]" 1 
        42 1  12 ALA H    1  23 LEU HA   1.800 . 5.100 4.253 3.878 4.590     .  0 0 "[    .    1    .    2]" 1 
        43 1  12 ALA H    1  25 ILE HA   1.800 . 5.200 4.420 3.997 4.741     .  0 0 "[    .    1    .    2]" 1 
        44 1  12 ALA MB   1  23 LEU HB3  1.800 . 5.400 5.144 4.748 5.412 0.012 13 0 "[    .    1    .    2]" 1 
        45 1  12 ALA HA   1  13 VAL H    1.800 . 3.600 2.143 2.142 2.144     .  0 0 "[    .    1    .    2]" 1 
        46 1  12 ALA MB   1  13 VAL H    1.800 . 4.600 3.208 3.188 3.252     .  0 0 "[    .    1    .    2]" 1 
        47 1  13 VAL H    1  14 GLY H    1.800 . 5.600 4.500 4.437 4.544     .  0 0 "[    .    1    .    2]" 1 
        48 1  13 VAL HB   1  23 LEU HB3  1.800 . 5.200 5.175 4.764 5.222 0.022  3 0 "[    .    1    .    2]" 1 
        49 1  13 VAL HA   1  23 LEU HA   1.800 . 4.500 2.869 2.574 3.098     .  0 0 "[    .    1    .    2]" 1 
        50 1  13 VAL HA   1  24 SER H    1.800 . 4.800 4.377 4.139 4.581     .  0 0 "[    .    1    .    2]" 1 
        51 1  13 VAL HA   1  23 LEU HB3  1.800 . 5.200 4.348 4.117 4.528     .  0 0 "[    .    1    .    2]" 1 
        52 1  13 VAL HA   1  23 LEU HG   1.800 . 5.200 2.259 1.995 2.546     .  0 0 "[    .    1    .    2]" 1 
        53 1  13 VAL HA   1  14 GLY H    1.800 . 3.600 2.161 2.144 2.185     .  0 0 "[    .    1    .    2]" 1 
        54 1  13 VAL HB   1  14 GLY H    1.800 . 4.600 4.187 4.098 4.256     .  0 0 "[    .    1    .    2]" 1 
        55 1  14 GLY H    1  15 ARG HA   1.800 . 6.000 4.596 4.542 4.681     .  0 0 "[    .    1    .    2]" 1 
        56 1  14 GLY H    1  22 THR H    1.800 . 4.000 3.791 3.259 4.034 0.034 20 0 "[    .    1    .    2]" 1 
        57 1  14 GLY H    1  23 LEU HB2  1.800 . 6.000 5.968 5.743 6.028 0.028 10 0 "[    .    1    .    2]" 1 
        58 1  14 GLY H    1  23 LEU HG   1.800 . 5.600 4.190 3.759 4.515     .  0 0 "[    .    1    .    2]" 1 
        59 1  14 GLY HA3  1  15 ARG H    1.800 . 4.600 2.272 2.175 2.508     .  0 0 "[    .    1    .    2]" 1 
        60 1  14 GLY HA2  1  15 ARG H    1.800 . 4.600 2.920 2.619 3.086     .  0 0 "[    .    1    .    2]" 1 
        61 1  14 GLY H    1  15 ARG H    1.800 . 5.600 4.226 4.120 4.378     .  0 0 "[    .    1    .    2]" 1 
        62 1  15 ARG H    1  16 ASP H    1.800 . 5.600 4.377 4.276 4.477     .  0 0 "[    .    1    .    2]" 1 
        63 1  15 ARG H    1  22 THR MG   1.800 . 6.000 5.786 5.289 6.033 0.033 19 0 "[    .    1    .    2]" 1 
        64 1  15 ARG HA   1  16 ASP H    1.800 . 3.600 2.199 2.152 2.241     .  0 0 "[    .    1    .    2]" 1 
        65 1  16 ASP H    1  17 SER H    1.800 . 5.600 4.467 4.442 4.495     .  0 0 "[    .    1    .    2]" 1 
        66 1  16 ASP HA   1  22 THR MG   1.800 . 5.100 4.773 4.302 5.128 0.028 13 0 "[    .    1    .    2]" 1 
        67 1  16 ASP HA   1  91 ASP HB3  1.800 . 4.900 4.685 4.233 4.927 0.027  9 0 "[    .    1    .    2]" 1 
        68 1  16 ASP HB2  1  91 ASP HB3  1.800 . 5.400 4.711 3.796 5.455 0.055 15 0 "[    .    1    .    2]" 1 
        69 1  16 ASP HB3  1  91 ASP HA   1.800 . 4.900 3.005 2.203 3.353     .  0 0 "[    .    1    .    2]" 1 
        70 1  16 ASP HB2  1  17 SER H    1.800 . 4.600 2.358 1.934 3.729     .  0 0 "[    .    1    .    2]" 1 
        71 1  16 ASP HB3  1  17 SER H    1.800 . 4.600 3.170 2.286 3.587     .  0 0 "[    .    1    .    2]" 1 
        72 1  17 SER H    1  18 SER H    1.800 . 5.600 2.678 2.541 2.718     .  0 0 "[    .    1    .    2]" 1 
        73 1  17 SER H    1  92 GLY H    1.800 . 4.600 3.792 3.356 4.142     .  0 0 "[    .    1    .    2]" 1 
        74 1  17 SER H    1  91 ASP HB3  1.800 . 4.600 3.613 2.576 4.490     .  0 0 "[    .    1    .    2]" 1 
        75 1  17 SER HA   1  18 SER H    1.800 . 4.600 3.462 3.443 3.468     .  0 0 "[    .    1    .    2]" 1 
        76 1  18 SER H    1  19 GLY H    1.800 . 5.600 2.509 2.258 2.885     .  0 0 "[    .    1    .    2]" 1 
        77 1  16 ASP HB3  1  18 SER H    1.800 . 5.600 3.804 2.256 4.271     .  0 0 "[    .    1    .    2]" 1 
        78 1  18 SER H    1  92 GLY H    1.800 . 5.500 4.014 2.745 4.763     .  0 0 "[    .    1    .    2]" 1 
        79 1  18 SER HA   1  19 GLY H    1.800 . 3.600 3.527 3.378 3.574     .  0 0 "[    .    1    .    2]" 1 
        80 1  19 GLY H    1  21 THR H    1.800 . 5.100 4.596 3.999 5.115 0.015 20 0 "[    .    1    .    2]" 1 
        81 1  15 ARG HA   1  19 GLY H    1.800 . 6.200 4.922 4.548 5.525     .  0 0 "[    .    1    .    2]" 1 
        82 1  19 GLY HA3  1  20 CYS H    1.800 . 4.600 3.551 3.521 3.569     .  0 0 "[    .    1    .    2]" 1 
        83 1  19 GLY HA2  1  20 CYS H    1.800 . 4.600 2.474 2.330 2.704     .  0 0 "[    .    1    .    2]" 1 
        84 1  20 CYS H    1  22 THR MG   1.800 . 6.200 3.578 2.905 4.119     .  0 0 "[    .    1    .    2]" 1 
        85 1  16 ASP H    1  20 CYS H    1.800 . 5.200 3.205 2.889 3.586     .  0 0 "[    .    1    .    2]" 1 
        86 1  16 ASP HB3  1  20 CYS H    1.800 . 5.200 5.148 4.732 5.287 0.087 19 0 "[    .    1    .    2]" 1 
        87 1  20 CYS HA   1  21 THR MG   1.800 . 5.900 5.186 4.334 5.561     .  0 0 "[    .    1    .    2]" 1 
        88 1  20 CYS HA   1  21 THR H    1.800 . 3.600 3.213 2.994 3.532     .  0 0 "[    .    1    .    2]" 1 
        89 1  21 THR H    1  22 THR HA   1.800 . 5.600 5.367 4.495 5.571     .  0 0 "[    .    1    .    2]" 1 
        90 1  21 THR H    1  21 THR MG   1.800 . 4.600 3.695 3.201 3.919     .  0 0 "[    .    1    .    2]" 1 
        91 1  21 THR H    1  22 THR MG   1.800 . 4.600 3.498 2.522 3.807     .  0 0 "[    .    1    .    2]" 1 
        92 1  16 ASP H    1  21 THR H    1.800 . 4.900 3.780 3.050 4.584     .  0 0 "[    .    1    .    2]" 1 
        93 1  15 ARG HA   1  21 THR MG   1.800 . 5.900 4.285 3.681 5.232     .  0 0 "[    .    1    .    2]" 1 
        94 1  21 THR MG   1  63 THR HB   1.800 . 5.900 5.093 3.818 5.698     .  0 0 "[    .    1    .    2]" 1 
        95 1  15 ARG HA   1  21 THR HA   1.800 . 4.900 3.126 2.613 3.836     .  0 0 "[    .    1    .    2]" 1 
        96 1  21 THR HB   1  22 THR HA   1.800 . 5.900 4.430 4.207 4.599     .  0 0 "[    .    1    .    2]" 1 
        97 1  20 CYS HA   1  21 THR HA   1.800 . 5.900 5.027 4.838 5.219     .  0 0 "[    .    1    .    2]" 1 
        98 1  21 THR HA   1  22 THR MG   1.800 . 5.900 3.802 3.683 3.969     .  0 0 "[    .    1    .    2]" 1 
        99 1  21 THR HA   1  21 THR MG   1.800 . 5.900 2.104 1.955 2.231     .  0 0 "[    .    1    .    2]" 1 
       100 1  21 THR HB   1  22 THR H    1.800 . 5.600 4.203 3.823 4.359     .  0 0 "[    .    1    .    2]" 1 
       101 1  21 THR HA   1  22 THR H    1.800 . 4.600 2.246 2.157 2.324     .  0 0 "[    .    1    .    2]" 1 
       102 1  21 THR MG   1  22 THR H    1.800 . 6.000 3.583 3.090 3.941     .  0 0 "[    .    1    .    2]" 1 
       103 1  22 THR H    1  22 THR MG   1.800 . 6.000 2.318 2.075 2.851     .  0 0 "[    .    1    .    2]" 1 
       104 1  21 THR H    1  22 THR H    1.800 . 5.000 3.396 3.026 3.623     .  0 0 "[    .    1    .    2]" 1 
       105 1  14 GLY HA3  1  22 THR H    1.800 . 6.000 5.453 4.865 5.800     .  0 0 "[    .    1    .    2]" 1 
       106 1  15 ARG HA   1  22 THR H    1.800 . 4.900 3.333 2.886 3.580     .  0 0 "[    .    1    .    2]" 1 
       107 1  22 THR MG   1  55 GLN HG2  1.800 . 5.200 4.630 4.088 5.221 0.021 13 0 "[    .    1    .    2]" 1 
       108 1  22 THR HA   1  22 THR MG   1.800 . 6.200 3.030 2.444 3.195     .  0 0 "[    .    1    .    2]" 1 
       109 1  16 ASP HB3  1  22 THR MG   1.800 . 4.300 3.282 2.640 4.261     .  0 0 "[    .    1    .    2]" 1 
       110 1  15 ARG HA   1  22 THR MG   1.800 . 5.300 3.937 3.457 4.369     .  0 0 "[    .    1    .    2]" 1 
       111 1  22 THR MG   1  63 THR HA   1.800 . 5.300 4.311 3.816 4.831     .  0 0 "[    .    1    .    2]" 1 
       112 1  22 THR HB   1  23 LEU H    1.800 . 4.600 3.514 2.526 3.935     .  0 0 "[    .    1    .    2]" 1 
       113 1  22 THR HA   1  23 LEU H    1.800 . 3.600 2.303 2.207 2.378     .  0 0 "[    .    1    .    2]" 1 
       114 1  22 THR MG   1  23 LEU H    1.800 . 6.000 3.910 3.715 4.108     .  0 0 "[    .    1    .    2]" 1 
       115 1  22 THR H    1  23 LEU H    1.800 . 6.000 4.397 4.330 4.468     .  0 0 "[    .    1    .    2]" 1 
       116 1  23 LEU H    1  23 LEU HG   1.800 . 6.000 4.218 3.738 4.457     .  0 0 "[    .    1    .    2]" 1 
       117 1  12 ALA MB   1  23 LEU HA   1.800 . 5.000 4.557 4.290 4.857     .  0 0 "[    .    1    .    2]" 1 
       118 1  23 LEU HB3  1  24 SER H    1.800 . 4.600 2.945 2.509 3.678     .  0 0 "[    .    1    .    2]" 1 
       119 1  23 LEU HB2  1  24 SER H    1.800 . 4.600 4.123 3.818 4.508     .  0 0 "[    .    1    .    2]" 1 
       120 1  23 LEU HA   1  24 SER H    1.800 . 3.600 2.255 2.141 2.368     .  0 0 "[    .    1    .    2]" 1 
       121 1  12 ALA MB   1  24 SER H    1.800 . 4.200 3.542 3.141 3.790     .  0 0 "[    .    1    .    2]" 1 
       122 1  11 VAL HA   1  24 SER H    1.800 . 5.500 4.244 3.673 4.944     .  0 0 "[    .    1    .    2]" 1 
       123 1  24 SER HA   1  56 LEU H    1.800 . 6.000 3.345 2.704 3.984     .  0 0 "[    .    1    .    2]" 1 
       124 1  24 SER HA   1  55 GLN HA   1.800 . 4.200 2.041 1.969 2.391     .  0 0 "[    .    1    .    2]" 1 
       125 1  24 SER HA   1  25 ILE H    1.800 . 3.600 2.180 2.155 2.224     .  0 0 "[    .    1    .    2]" 1 
       126 1  25 ILE H    1  54 ASP H    1.800 . 5.300 3.802 3.506 4.096     .  0 0 "[    .    1    .    2]" 1 
       127 1  25 ILE H    1  53 GLY HA2  1.800 . 6.200 4.969 4.540 5.228     .  0 0 "[    .    1    .    2]" 1 
       128 1  25 ILE H    1  55 GLN HA   1.800 . 4.300 2.749 2.253 3.231     .  0 0 "[    .    1    .    2]" 1 
       129 1  11 VAL HA   1  25 ILE HA   1.800 . 4.900 3.177 2.959 3.350     .  0 0 "[    .    1    .    2]" 1 
       130 1  26 GLN H    1  27 GLU H    1.800 . 4.600 2.532 2.341 2.695     .  0 0 "[    .    1    .    2]" 1 
       131 1  11 VAL HA   1  26 GLN H    1.800 . 4.900 3.756 3.210 4.215     .  0 0 "[    .    1    .    2]" 1 
       132 1  26 GLN HB2  1  52 VAL HB   1.800 . 5.600 5.400 4.982 5.609 0.009 13 0 "[    .    1    .    2]" 1 
       133 1  12 ALA MB   1  26 GLN HE22 1.800 . 4.600 2.531 1.979 3.321     .  0 0 "[    .    1    .    2]" 1 
       134 1  10 ARG HB2  1  26 GLN HE22 1.800 . 4.600 4.088 3.386 4.545     .  0 0 "[    .    1    .    2]" 1 
       135 1  11 VAL HA   1  26 GLN HE22 1.800 . 5.600 3.678 2.302 4.649     .  0 0 "[    .    1    .    2]" 1 
       136 1  26 GLN HB3  1  27 GLU H    1.800 . 4.600 4.275 3.936 4.403     .  0 0 "[    .    1    .    2]" 1 
       137 1  26 GLN HA   1  27 GLU H    1.800 . 4.600 3.188 3.025 3.440     .  0 0 "[    .    1    .    2]" 1 
       138 1  26 GLN HB2  1  27 GLU H    1.800 . 4.600 3.664 3.069 3.979     .  0 0 "[    .    1    .    2]" 1 
       139 1   9 PHE HA   1  27 GLU H    1.800 . 5.200 5.019 4.524 5.221 0.021 17 0 "[    .    1    .    2]" 1 
       140 1   9 PHE HB3  1  27 GLU H    1.800 . 6.200 4.861 4.568 5.294     .  0 0 "[    .    1    .    2]" 1 
       141 1  28 VAL MG1  1  45 ALA MB   1.800 . 4.900 2.949 1.822 3.661     .  0 0 "[    .    1    .    2]" 1 
       142 1  28 VAL MG1  1  45 ALA HA   1.800 . 5.900 4.535 3.629 5.564     .  0 0 "[    .    1    .    2]" 1 
       143 1  28 VAL HA   1  28 VAL MG1  1.800 . 5.900 2.223 2.105 2.314     .  0 0 "[    .    1    .    2]" 1 
       144 1  28 VAL MG1  1  29 THR H    1.800 . 6.000 3.924 3.064 4.220     .  0 0 "[    .    1    .    2]" 1 
       145 1  28 VAL MG2  1  29 THR H    1.800 . 6.000 4.257 4.120 4.398     .  0 0 "[    .    1    .    2]" 1 
       146 1  28 VAL HA   1  29 THR H    1.800 . 3.600 2.263 2.167 2.478     .  0 0 "[    .    1    .    2]" 1 
       147 1  28 VAL HB   1  29 THR H    1.800 . 5.600 4.066 3.748 4.374     .  0 0 "[    .    1    .    2]" 1 
       148 1  29 THR H    1  30 GLN H    1.800 . 5.600 2.474 2.165 2.718     .  0 0 "[    .    1    .    2]" 1 
       149 1  29 THR HA   1  29 THR MG   1.800 . 5.900 3.201 3.189 3.207     .  0 0 "[    .    1    .    2]" 1 
       150 1  28 VAL HA   1  29 THR HA   1.800 . 6.200 4.475 4.418 4.604     .  0 0 "[    .    1    .    2]" 1 
       151 1  29 THR MG   1  30 GLN H    1.800 . 5.600 2.798 2.245 3.446     .  0 0 "[    .    1    .    2]" 1 
       152 1  29 THR HB   1  30 GLN H    1.800 . 5.600 4.320 4.081 4.550     .  0 0 "[    .    1    .    2]" 1 
       153 1  29 THR HA   1  30 GLN H    1.800 . 3.600 3.293 3.025 3.476     .  0 0 "[    .    1    .    2]" 1 
       154 1  30 GLN H    1  31 THR MG   1.800 . 5.600 4.018 2.898 4.930     .  0 0 "[    .    1    .    2]" 1 
       155 1  30 GLN H    1  31 THR H    1.800 . 5.200 3.113 2.551 4.100     .  0 0 "[    .    1    .    2]" 1 
       156 1  30 GLN H    1  50 LEU HB2  1.800 . 4.900 4.946 4.902 5.021 0.121 13 0 "[    .    1    .    2]" 1 
       157 1  30 GLN HE22 1  50 LEU HB2  1.800 . 4.900 4.356 2.834 4.917 0.017 10 0 "[    .    1    .    2]" 1 
       158 1  30 GLN HA   1  31 THR H    1.800 . 4.600 2.938 2.273 3.538     .  0 0 "[    .    1    .    2]" 1 
       159 1  31 THR H    1  32 TYR HA   1.800 . 5.600 4.873 4.400 5.631 0.031 17 0 "[    .    1    .    2]" 1 
       160 1  31 THR H    1  31 THR MG   1.800 . 5.600 3.062 2.172 3.867     .  0 0 "[    .    1    .    2]" 1 
       161 1  29 THR HA   1  31 THR H    1.800 . 5.500 3.694 3.265 4.607     .  0 0 "[    .    1    .    2]" 1 
       162 1  31 THR H    1  43 GLY H    1.800 . 5.500 5.523 5.381 5.628 0.128 15 0 "[    .    1    .    2]" 1 
       163 1  29 THR MG   1  31 THR H    1.800 . 5.500 4.609 4.352 4.920     .  0 0 "[    .    1    .    2]" 1 
       164 1  31 THR HB   1  40 ASP HA   1.800 . 5.200 4.984 4.078 5.262 0.062  3 0 "[    .    1    .    2]" 1 
       165 1  31 THR HA   1  42 MET HA   1.800 . 4.900 2.904 1.995 4.914 0.014 13 0 "[    .    1    .    2]" 1 
       166 1  31 THR HA   1  31 THR MG   1.800 . 5.200 2.178 1.988 2.466     .  0 0 "[    .    1    .    2]" 1 
       167 1  31 THR MG   1  41 LEU H    1.800 . 5.200 4.550 3.770 5.136     .  0 0 "[    .    1    .    2]" 1 
       168 1  31 THR MG   1  40 ASP HA   1.800 . 5.900 5.794 5.251 5.968 0.068 15 0 "[    .    1    .    2]" 1 
       169 1  31 THR MG   1  32 TYR H    1.800 . 6.000 4.328 4.151 4.426     .  0 0 "[    .    1    .    2]" 1 
       170 1  31 THR HA   1  32 TYR H    1.800 . 3.600 2.798 2.142 3.122     .  0 0 "[    .    1    .    2]" 1 
       171 1  31 THR HB   1  32 TYR H    1.800 . 4.600 4.251 3.513 4.483     .  0 0 "[    .    1    .    2]" 1 
       172 1  32 TYR H    1  33 THR H    1.800 . 5.200 4.375 4.270 4.458     .  0 0 "[    .    1    .    2]" 1 
       173 1  31 THR H    1  32 TYR H    1.800 . 5.200 2.698 1.851 4.435     .  0 0 "[    .    1    .    2]" 1 
       174 1  32 TYR H    1  41 LEU H    1.800 . 4.800 4.297 3.270 4.886 0.086 12 0 "[    .    1    .    2]" 1 
       175 1  32 TYR H    1  40 ASP HA   1.800 . 6.200 4.282 3.543 6.066     .  0 0 "[    .    1    .    2]" 1 
       176 1  32 TYR HA   1  33 THR H    1.800 . 3.600 2.283 2.238 2.446     .  0 0 "[    .    1    .    2]" 1 
       177 1  32 TYR HB2  1  33 THR H    1.800 . 4.600 3.572 2.367 4.259     .  0 0 "[    .    1    .    2]" 1 
       178 1  32 TYR HB3  1  33 THR H    1.800 . 4.600 3.409 2.844 4.166     .  0 0 "[    .    1    .    2]" 1 
       179 1  33 THR H    1  33 THR MG   1.800 . 4.600 3.313 2.134 4.021     .  0 0 "[    .    1    .    2]" 1 
       180 1  33 THR H    1  34 GLY H    1.800 . 5.200 4.219 2.191 4.550     .  0 0 "[    .    1    .    2]" 1 
       181 1  33 THR HB   1  40 ASP HA   1.800 . 5.900 4.234 3.200 5.119     .  0 0 "[    .    1    .    2]" 1 
       182 1  33 THR HA   1  33 THR MG   1.800 . 6.200 2.589 1.949 3.205     .  0 0 "[    .    1    .    2]" 1 
       183 1  33 THR MG   1  39 ALA HA   1.800 . 4.900 4.079 1.924 4.954 0.054  5 0 "[    .    1    .    2]" 1 
       184 1  33 THR MG   1  38 GLY HA2  1.800 . 5.200 3.539 1.904 5.208 0.008  9 0 "[    .    1    .    2]" 1 
       185 1  33 THR MG   1  40 ASP HA   1.800 . 5.200 4.209 2.995 5.206 0.006 13 0 "[    .    1    .    2]" 1 
       186 1  33 THR HA   1  34 GLY H    1.800 . 3.600 2.626 2.201 2.899     .  0 0 "[    .    1    .    2]" 1 
       187 1  33 THR HB   1  34 GLY H    1.800 . 4.600 3.149 2.145 4.463     .  0 0 "[    .    1    .    2]" 1 
       188 1  33 THR MG   1  34 GLY H    1.800 . 6.000 2.593 1.920 4.363     .  0 0 "[    .    1    .    2]" 1 
       189 1  34 GLY H    1  35 SER H    1.800 . 4.600 3.272 1.881 4.607 0.007 10 0 "[    .    1    .    2]" 1 
       190 1  32 TYR HA   1  34 GLY H    1.800 . 6.400 6.277 4.233 6.567 0.167 13 0 "[    .    1    .    2]" 1 
       191 1  34 GLY HA2  1  37 GLY HA3  1.800 . 5.900 5.828 5.379 6.020 0.120 14 0 "[    .    1    .    2]" 1 
       192 1  34 GLY HA2  1  35 SER H    1.800 . 4.600 2.631 2.149 3.407     .  0 0 "[    .    1    .    2]" 1 
       193 1  34 GLY HA3  1  35 SER H    1.800 . 4.600 3.161 2.179 3.566     .  0 0 "[    .    1    .    2]" 1 
       194 1  35 SER H    1  39 ALA H    1.800 . 6.100 5.779 4.774 6.191 0.091 19 0 "[    .    1    .    2]" 1 
       195 1  35 SER HA   1  36 ASN H    1.800 . 4.600 3.223 2.189 3.566     .  0 0 "[    .    1    .    2]" 1 
       196 1  35 SER H    1  36 ASN H    1.800 . 6.000 3.142 1.899 4.634     .  0 0 "[    .    1    .    2]" 1 
       197 1   2 LEU H    1  36 ASN H    1.800 . 5.000 4.938 4.407 5.072 0.072 17 0 "[    .    1    .    2]" 1 
       198 1  36 ASN HA   1  37 GLY H    1.800 . 4.600 3.169 2.615 3.560     .  0 0 "[    .    1    .    2]" 1 
       199 1  36 ASN H    1  37 GLY H    1.800 . 5.600 2.434 1.883 3.482     .  0 0 "[    .    1    .    2]" 1 
       200 1  37 GLY H    1  38 GLY H    1.800 . 5.600 2.631 1.940 3.681     .  0 0 "[    .    1    .    2]" 1 
       201 1  33 THR MG   1  37 GLY H    1.800 . 4.900 4.311 3.044 4.959 0.059  1 0 "[    .    1    .    2]" 1 
       202 1  37 GLY HA3  1  80 PRO HA   1.800 . 5.900 5.949 5.861 6.078 0.178 17 0 "[    .    1    .    2]" 1 
       203 1  37 GLY HA2  1  38 GLY H    1.800 . 4.600 3.397 2.329 3.573     .  0 0 "[    .    1    .    2]" 1 
       204 1  37 GLY HA3  1  38 GLY H    1.800 . 4.600 2.791 2.442 3.560     .  0 0 "[    .    1    .    2]" 1 
       205 1  38 GLY H    1  39 ALA MB   1.800 . 5.600 4.604 3.650 5.237     .  0 0 "[    .    1    .    2]" 1 
       206 1  33 THR HB   1  38 GLY HA2  1.800 . 4.900 4.644 3.635 4.986 0.086  8 0 "[    .    1    .    2]" 1 
       207 1  36 ASN HA   1  38 GLY H    1.800 . 5.500 4.964 3.628 5.571 0.071 12 0 "[    .    1    .    2]" 1 
       208 1  33 THR MG   1  38 GLY H    1.800 . 5.500 3.081 1.863 5.547 0.047 17 0 "[    .    1    .    2]" 1 
       209 1  38 GLY HA3  1  39 ALA H    1.800 . 4.600 2.795 2.139 3.499     .  0 0 "[    .    1    .    2]" 1 
       210 1  38 GLY HA2  1  39 ALA H    1.800 . 4.600 2.721 2.158 3.470     .  0 0 "[    .    1    .    2]" 1 
       211 1  39 ALA H    1  39 ALA MB   1.800 . 5.600 2.746 2.034 2.922     .  0 0 "[    .    1    .    2]" 1 
       212 1  39 ALA H    1  40 ASP H    1.800 . 5.600 3.073 1.870 4.524     .  0 0 "[    .    1    .    2]" 1 
       213 1  39 ALA HA   1  40 ASP HA   1.800 . 6.200 4.769 4.295 5.365     .  0 0 "[    .    1    .    2]" 1 
       214 1  33 THR HB   1  39 ALA MB   1.800 . 4.600 4.301 2.961 4.638 0.038  8 0 "[    .    1    .    2]" 1 
       215 1  39 ALA MB   1  40 ASP H    1.800 . 4.600 2.857 2.067 3.718     .  0 0 "[    .    1    .    2]" 1 
       216 1  39 ALA HA   1  40 ASP H    1.800 . 3.600 2.900 2.146 3.571     .  0 0 "[    .    1    .    2]" 1 
       217 1  40 ASP H    1  41 LEU H    1.800 . 5.600 3.830 2.746 4.558     .  0 0 "[    .    1    .    2]" 1 
       218 1  33 THR HB   1  40 ASP H    1.800 . 5.200 3.548 2.269 5.245 0.045  8 0 "[    .    1    .    2]" 1 
       219 1  33 THR HA   1  40 ASP H    1.800 . 5.900 5.014 3.706 5.905 0.005  6 0 "[    .    1    .    2]" 1 
       220 1  40 ASP HA   1  41 LEU H    1.800 . 3.600 2.254 2.141 3.552     .  0 0 "[    .    1    .    2]" 1 
       221 1  31 THR HA   1  41 LEU H    1.800 . 5.400 3.676 3.023 4.708     .  0 0 "[    .    1    .    2]" 1 
       222 1  33 THR MG   1  41 LEU H    1.800 . 5.600 4.922 3.844 5.619 0.019  3 0 "[    .    1    .    2]" 1 
       223 1  41 LEU HA   1  42 MET H    1.800 . 3.600 2.810 2.149 3.569     .  0 0 "[    .    1    .    2]" 1 
       224 1  41 LEU HB2  1  42 MET H    1.800 . 5.600 3.942 2.383 4.586     .  0 0 "[    .    1    .    2]" 1 
       225 1  41 LEU HB3  1  42 MET H    1.800 . 5.600 3.169 1.938 4.147     .  0 0 "[    .    1    .    2]" 1 
       226 1  31 THR HA   1  42 MET H    1.800 . 5.900 4.211 2.377 5.095     .  0 0 "[    .    1    .    2]" 1 
       227 1  31 THR HB   1  42 MET HA   1.800 . 4.900 3.364 2.212 4.636     .  0 0 "[    .    1    .    2]" 1 
       228 1  31 THR MG   1  42 MET HA   1.800 . 5.900 1.993 1.880 2.268     .  0 0 "[    .    1    .    2]" 1 
       229 1  42 MET HB2  1  43 GLY H    1.800 . 5.600 4.449 4.249 4.664     .  0 0 "[    .    1    .    2]" 1 
       230 1  42 MET HB3  1  43 GLY H    1.800 . 5.600 3.776 3.444 4.403     .  0 0 "[    .    1    .    2]" 1 
       231 1  42 MET HA   1  43 GLY H    1.800 . 3.600 2.188 2.144 2.568     .  0 0 "[    .    1    .    2]" 1 
       232 1  31 THR HA   1  43 GLY H    1.800 . 4.800 3.227 2.652 4.087     .  0 0 "[    .    1    .    2]" 1 
       233 1  32 TYR H    1  43 GLY H    1.800 . 5.900 5.419 3.766 5.892     .  0 0 "[    .    1    .    2]" 1 
       234 1  31 THR MG   1  43 GLY H    1.800 . 5.100 3.030 2.145 4.089     .  0 0 "[    .    1    .    2]" 1 
       235 1  43 GLY H    1  46 PHE H    1.800 . 5.900 3.984 2.863 5.987 0.087 20 0 "[    .    1    .    2]" 1 
       236 1  43 GLY H    1  45 ALA MB   1.800 . 4.900 3.128 2.643 3.839     .  0 0 "[    .    1    .    2]" 1 
       237 1  43 GLY H    1  47 ALA MB   1.800 . 5.900 5.254 4.901 5.952 0.052 20 0 "[    .    1    .    2]" 1 
       238 1  44 PRO HA   1  45 ALA H    1.800 . 4.600 3.387 3.374 3.449     .  0 0 "[    .    1    .    2]" 1 
       239 1  45 ALA H    1  45 ALA MB   1.800 . 5.600 2.161 2.035 2.351     .  0 0 "[    .    1    .    2]" 1 
       240 1  45 ALA H    1  46 PHE H    1.800 . 4.900 2.761 2.132 4.449     .  0 0 "[    .    1    .    2]" 1 
       241 1  45 ALA H    1  48 ALA H    1.800 . 6.200 4.485 4.246 5.225     .  0 0 "[    .    1    .    2]" 1 
       242 1  45 ALA H    1  47 ALA H    1.800 . 6.500 3.531 3.302 4.732     .  0 0 "[    .    1    .    2]" 1 
       243 1  45 ALA MB   1  48 ALA H    1.800 . 5.400 4.739 4.526 5.185     .  0 0 "[    .    1    .    2]" 1 
       244 1  41 LEU H    1  45 ALA MB   1.800 . 6.500 6.351 5.830 6.584 0.084 20 0 "[    .    1    .    2]" 1 
       245 1  31 THR MG   1  45 ALA HA   1.800 . 5.900 4.468 3.915 5.553     .  0 0 "[    .    1    .    2]" 1 
       246 1  45 ALA HA   1  46 PHE H    1.800 . 4.600 3.510 2.641 3.572     .  0 0 "[    .    1    .    2]" 1 
       247 1  46 PHE H    1  47 ALA H    1.800 . 4.600 2.569 2.066 3.784     .  0 0 "[    .    1    .    2]" 1 
       248 1  46 PHE H    1  48 ALA H    1.800 . 4.900 4.208 3.791 4.466     .  0 0 "[    .    1    .    2]" 1 
       249 1  46 PHE HA   1  48 ALA H    1.800 . 6.200 4.341 4.203 4.523     .  0 0 "[    .    1    .    2]" 1 
       250 1  47 ALA H    1  47 ALA MB   1.800 . 4.600 2.220 2.032 2.254     .  0 0 "[    .    1    .    2]" 1 
       251 1  47 ALA H    1  49 GLY H    1.800 . 5.000 3.646 3.570 3.786     .  0 0 "[    .    1    .    2]" 1 
       252 1  47 ALA H    1  48 ALA H    1.800 . 4.300 2.577 2.516 2.731     .  0 0 "[    .    1    .    2]" 1 
       253 1  43 GLY H    1  47 ALA H    1.800 . 6.400 5.043 4.284 5.850     .  0 0 "[    .    1    .    2]" 1 
       254 1  44 PRO HA   1  47 ALA MB   1.800 . 4.900 2.576 1.973 4.715     .  0 0 "[    .    1    .    2]" 1 
       255 1  47 ALA HA   1  48 ALA H    1.800 . 4.600 3.532 3.528 3.536     .  0 0 "[    .    1    .    2]" 1 
       256 1  47 ALA MB   1  48 ALA H    1.800 . 4.600 2.590 2.542 2.735     .  0 0 "[    .    1    .    2]" 1 
       257 1  48 ALA H    1  48 ALA MB   1.800 . 4.600 2.236 2.126 2.314     .  0 0 "[    .    1    .    2]" 1 
       258 1  48 ALA H    1  49 GLY HA3  1.800 . 6.200 4.979 4.959 4.998     .  0 0 "[    .    1    .    2]" 1 
       259 1  48 ALA H    1  49 GLY H    1.800 . 4.300 2.277 2.254 2.301     .  0 0 "[    .    1    .    2]" 1 
       260 1  48 ALA H    1  99 ILE MG   1.800 . 6.200 4.393 3.633 4.950     .  0 0 "[    .    1    .    2]" 1 
       261 1  48 ALA H    1 100 VAL H    1.800 . 5.200 4.681 4.211 5.245 0.045 20 0 "[    .    1    .    2]" 1 
       262 1  48 ALA MB   1  49 GLY H    1.800 . 4.600 3.101 3.069 3.157     .  0 0 "[    .    1    .    2]" 1 
       263 1  49 GLY H    1  50 LEU H    1.800 . 4.900 2.418 2.352 2.486     .  0 0 "[    .    1    .    2]" 1 
       264 1  49 GLY H    1  99 ILE MG   1.800 . 6.200 5.364 5.002 5.916     .  0 0 "[    .    1    .    2]" 1 
       265 1  49 GLY HA2  1  50 LEU H    1.800 . 4.600 3.193 3.115 3.261     .  0 0 "[    .    1    .    2]" 1 
       266 1  50 LEU H    1  51 ARG H    1.800 . 5.600 4.445 4.218 4.553     .  0 0 "[    .    1    .    2]" 1 
       267 1  45 ALA HA   1  50 LEU H    1.800 . 5.900 3.465 2.896 4.105     .  0 0 "[    .    1    .    2]" 1 
       268 1  48 ALA MB   1  50 LEU HB2  1.800 . 6.200 3.452 2.896 4.289     .  0 0 "[    .    1    .    2]" 1 
       269 1  45 ALA MB   1  50 LEU HB2  1.800 . 5.900 3.344 2.043 4.262     .  0 0 "[    .    1    .    2]" 1 
       270 1  50 LEU HB2  1  51 ARG H    1.800 . 5.600 4.361 4.035 4.573     .  0 0 "[    .    1    .    2]" 1 
       271 1  50 LEU HB3  1  51 ARG H    1.800 . 5.600 3.622 3.258 3.974     .  0 0 "[    .    1    .    2]" 1 
       272 1  50 LEU HA   1  51 ARG H    1.800 . 3.600 2.149 2.139 2.217     .  0 0 "[    .    1    .    2]" 1 
       273 1  51 ARG H    1  54 ASP H    1.800 . 5.900 4.337 4.139 4.700     .  0 0 "[    .    1    .    2]" 1 
       274 1  51 ARG H    1  52 VAL HA   1.800 . 6.000 5.131 4.989 5.406     .  0 0 "[    .    1    .    2]" 1 
       275 1  51 ARG H    1  54 ASP HB2  1.800 . 6.000 2.797 2.302 4.009     .  0 0 "[    .    1    .    2]" 1 
       276 1  51 ARG H    1  53 GLY H    1.800 . 5.900 5.767 5.298 5.933 0.033 20 0 "[    .    1    .    2]" 1 
       277 1  51 ARG HB3  1  52 VAL HB   1.800 . 5.900 5.447 5.273 5.706     .  0 0 "[    .    1    .    2]" 1 
       278 1  51 ARG HA   1  52 VAL H    1.800 . 3.600 2.493 2.335 2.576     .  0 0 "[    .    1    .    2]" 1 
       279 1  52 VAL H    1  53 GLY H    1.800 . 5.600 4.545 4.429 4.587     .  0 0 "[    .    1    .    2]" 1 
       280 1  28 VAL MG2  1  52 VAL H    1.800 . 4.600 4.219 2.896 4.632 0.032 19 0 "[    .    1    .    2]" 1 
       281 1  28 VAL MG1  1  52 VAL H    1.800 . 4.600 3.393 2.727 4.644 0.044 18 0 "[    .    1    .    2]" 1 
       282 1  25 ILE HB   1  52 VAL HA   1.800 . 5.000 4.468 4.182 5.018 0.018  7 0 "[    .    1    .    2]" 1 
       283 1  26 GLN HB2  1  52 VAL HA   1.800 . 5.600 5.583 5.310 5.658 0.058 19 0 "[    .    1    .    2]" 1 
       284 1  52 VAL HA   1  53 GLY H    1.800 . 3.600 2.163 2.144 2.175     .  0 0 "[    .    1    .    2]" 1 
       285 1  52 VAL HB   1  53 GLY H    1.800 . 5.600 3.260 3.127 3.593     .  0 0 "[    .    1    .    2]" 1 
       286 1  53 GLY H    1  54 ASP H    1.800 . 4.600 2.233 1.942 2.405     .  0 0 "[    .    1    .    2]" 1 
       287 1  53 GLY H    1  54 ASP HB2  1.800 . 6.500 4.536 4.133 5.700     .  0 0 "[    .    1    .    2]" 1 
       288 1  25 ILE HB   1  53 GLY H    1.800 . 4.500 4.184 3.893 4.502 0.002 10 0 "[    .    1    .    2]" 1 
       289 1  27 GLU H    1  53 GLY H    1.800 . 5.500 4.224 3.862 4.754     .  0 0 "[    .    1    .    2]" 1 
       290 1  53 GLY HA3  1  54 ASP H    1.800 . 4.600 3.370 3.313 3.401     .  0 0 "[    .    1    .    2]" 1 
       291 1  53 GLY HA2  1  54 ASP H    1.800 . 4.600 3.167 3.126 3.238     .  0 0 "[    .    1    .    2]" 1 
       292 1  54 ASP HB3  1  55 GLN HG3  1.800 . 6.200 5.793 5.336 6.224 0.024 17 0 "[    .    1    .    2]" 1 
       293 1  25 ILE HB   1  54 ASP H    1.800 . 4.900 3.574 3.197 4.085     .  0 0 "[    .    1    .    2]" 1 
       294 1  52 VAL H    1  54 ASP H    1.800 . 6.200 5.023 4.828 5.212     .  0 0 "[    .    1    .    2]" 1 
       295 1  52 VAL HA   1  54 ASP H    1.800 . 5.200 3.402 3.320 3.565     .  0 0 "[    .    1    .    2]" 1 
       296 1  54 ASP HB2  1  55 GLN H    1.800 . 5.600 4.115 3.238 4.371     .  0 0 "[    .    1    .    2]" 1 
       297 1  54 ASP HB3  1  55 GLN H    1.800 . 5.600 3.210 2.802 4.311     .  0 0 "[    .    1    .    2]" 1 
       298 1  54 ASP HA   1  55 GLN H    1.800 . 4.600 2.201 2.141 2.314     .  0 0 "[    .    1    .    2]" 1 
       299 1  54 ASP H    1  55 GLN H    1.800 . 6.200 4.501 4.395 4.553     .  0 0 "[    .    1    .    2]" 1 
       300 1  55 GLN H    1  89 SER H    1.800 . 4.600 3.256 2.714 3.454     .  0 0 "[    .    1    .    2]" 1 
       301 1  55 GLN H    1  88 PHE HA   1.800 . 4.900 4.716 4.264 4.943 0.043 20 0 "[    .    1    .    2]" 1 
       302 1  55 GLN H    1  89 SER HB3  1.800 . 5.200 5.206 5.126 5.258 0.058 18 0 "[    .    1    .    2]" 1 
       303 1  55 GLN H    1  89 SER HB2  1.800 . 5.200 4.866 4.548 5.242 0.042  5 0 "[    .    1    .    2]" 1 
       304 1  55 GLN H    1  88 PHE HB2  1.800 . 4.600 4.389 3.430 4.718 0.118 18 0 "[    .    1    .    2]" 1 
       305 1  22 THR MG   1  55 GLN HE22 1.800 . 3.900 2.381 1.841 3.907 0.007 19 0 "[    .    1    .    2]" 1 
       306 1  16 ASP HB2  1  55 GLN HE22 1.800 . 4.900 3.948 2.107 4.904 0.004  8 0 "[    .    1    .    2]" 1 
       307 1  22 THR HB   1  55 GLN HE22 1.800 . 4.900 4.518 3.832 4.918 0.018  8 0 "[    .    1    .    2]" 1 
       308 1  24 SER HA   1  55 GLN HE22 1.800 . 5.400 5.074 4.006 5.413 0.013  4 0 "[    .    1    .    2]" 1 
       309 1  55 GLN HA   1  56 LEU H    1.800 . 3.600 2.161 2.140 2.254     .  0 0 "[    .    1    .    2]" 1 
       310 1  55 GLN HG2  1  56 LEU H    1.800 . 5.600 4.485 4.196 4.817     .  0 0 "[    .    1    .    2]" 1 
       311 1  25 ILE H    1  56 LEU H    1.800 . 5.200 3.523 2.955 4.465     .  0 0 "[    .    1    .    2]" 1 
       312 1  29 THR MG   1  56 LEU HB2  1.800 . 5.900 5.546 5.002 5.923 0.023 19 0 "[    .    1    .    2]" 1 
       313 1  56 LEU HA   1  88 PHE HA   1.800 . 4.200 3.485 2.794 4.107     .  0 0 "[    .    1    .    2]" 1 
       314 1  56 LEU HA   1  57 VAL H    1.800 . 4.600 2.173 2.139 2.205     .  0 0 "[    .    1    .    2]" 1 
       315 1  57 VAL H    1  89 SER H    1.800 . 5.100 4.712 4.317 5.125 0.025  5 0 "[    .    1    .    2]" 1 
       316 1  57 VAL H    1  88 PHE HA   1.800 . 5.200 3.373 2.825 3.668     .  0 0 "[    .    1    .    2]" 1 
       317 1  56 LEU HB3  1  57 VAL HA   1.800 . 6.200 4.713 4.500 5.133     .  0 0 "[    .    1    .    2]" 1 
       318 1  57 VAL HA   1  58 ARG H    1.800 . 3.600 3.203 2.411 3.544     .  0 0 "[    .    1    .    2]" 1 
       319 1  57 VAL H    1  58 ARG H    1.800 . 5.600 2.885 2.069 4.539     .  0 0 "[    .    1    .    2]" 1 
       320 1  58 ARG H    1  86 VAL HA   1.800 . 6.200 4.728 3.930 6.151     .  0 0 "[    .    1    .    2]" 1 
       321 1  58 ARG HA   1  59 PHE H    1.800 . 3.600 3.394 3.103 3.572     .  0 0 "[    .    1    .    2]" 1 
       322 1  59 PHE H    1  62 TYR H    1.800 . 5.100 4.772 4.361 5.130 0.030 10 0 "[    .    1    .    2]" 1 
       323 1  58 ARG H    1  59 PHE H    1.800 . 5.200 2.734 1.811 3.746     .  0 0 "[    .    1    .    2]" 1 
       324 1  59 PHE H    1  60 ALA H    1.800 . 6.200 4.413 4.026 4.556     .  0 0 "[    .    1    .    2]" 1 
       325 1  59 PHE H    1  63 THR HA   1.800 . 6.200 6.255 6.081 6.403 0.203 13 0 "[    .    1    .    2]" 1 
       326 1  59 PHE HB2  1  60 ALA H    1.800 . 5.600 4.115 3.874 4.583     .  0 0 "[    .    1    .    2]" 1 
       327 1  59 PHE HB3  1  60 ALA H    1.800 . 5.600 3.596 2.788 4.274     .  0 0 "[    .    1    .    2]" 1 
       328 1  59 PHE HA   1  60 ALA H    1.800 . 3.600 2.225 2.141 2.288     .  0 0 "[    .    1    .    2]" 1 
       329 1  60 ALA H    1  60 ALA MB   1.800 . 4.600 2.259 2.049 2.923     .  0 0 "[    .    1    .    2]" 1 
       330 1  60 ALA H    1  61 GLY H    1.800 . 5.000 3.434 2.504 4.647     .  0 0 "[    .    1    .    2]" 1 
       331 1  60 ALA H    1  62 TYR H    1.800 . 6.500 4.923 4.357 5.447     .  0 0 "[    .    1    .    2]" 1 
       332 1  59 PHE HB2  1  60 ALA MB   1.800 . 5.400 5.231 4.237 5.577 0.177 11 0 "[    .    1    .    2]" 1 
       333 1  60 ALA MB   1  87 VAL HB   1.800 . 6.000 4.700 3.438 5.532     .  0 0 "[    .    1    .    2]" 1 
       334 1  60 ALA HA   1  61 GLY H    1.800 . 3.600 3.010 2.147 3.554     .  0 0 "[    .    1    .    2]" 1 
       335 1  60 ALA MB   1  61 GLY H    1.800 . 5.600 3.061 1.974 3.721     .  0 0 "[    .    1    .    2]" 1 
       336 1  61 GLY H    1  62 TYR H    1.800 . 4.600 2.199 1.734 2.679 0.066 13 0 "[    .    1    .    2]" 1 
       337 1  61 GLY H    1  62 TYR HA   1.800 . 6.200 4.472 3.989 4.946     .  0 0 "[    .    1    .    2]" 1 
       338 1  61 GLY HA2  1  62 TYR H    1.800 . 5.600 3.197 2.902 3.369     .  0 0 "[    .    1    .    2]" 1 
       339 1  60 ALA HA   1  62 TYR H    1.800 . 6.400 3.762 3.099 5.359     .  0 0 "[    .    1    .    2]" 1 
       340 1  60 ALA MB   1  62 TYR H    1.800 . 5.400 4.202 3.160 4.761     .  0 0 "[    .    1    .    2]" 1 
       341 1  62 TYR H    1  94 VAL MG2  1.800 . 6.400 6.239 5.532 6.497 0.097 10 0 "[    .    1    .    2]" 1 
       342 1  22 THR MG   1  62 TYR HA   1.800 . 6.400 4.128 1.901 5.207     .  0 0 "[    .    1    .    2]" 1 
       343 1  62 TYR HA   1  63 THR H    1.800 . 3.600 2.545 2.290 2.881     .  0 0 "[    .    1    .    2]" 1 
       344 1  63 THR H    1  63 THR MG   1.800 . 4.600 2.547 2.214 2.723     .  0 0 "[    .    1    .    2]" 1 
       345 1  62 TYR H    1  63 THR H    1.800 . 6.400 2.808 1.927 3.272     .  0 0 "[    .    1    .    2]" 1 
       346 1  22 THR MG   1  63 THR HB   1.800 . 5.400 5.378 4.831 5.472 0.072  7 0 "[    .    1    .    2]" 1 
       347 1  59 PHE H    1  63 THR MG   1.800 . 5.100 4.432 2.335 5.169 0.069 15 0 "[    .    1    .    2]" 1 
       348 1  21 THR HB   1  63 THR HA   1.800 . 5.100 4.046 2.197 4.724     .  0 0 "[    .    1    .    2]" 1 
       349 1  21 THR HB   1  63 THR MG   1.800 . 5.600 5.087 4.416 5.670 0.070  9 0 "[    .    1    .    2]" 1 
       350 1  21 THR HB   1  63 THR HB   1.800 . 4.900 3.857 2.999 4.789     .  0 0 "[    .    1    .    2]" 1 
       351 1  63 THR HA   1  63 THR MG   1.800 . 5.600 3.187 3.178 3.202     .  0 0 "[    .    1    .    2]" 1 
       352 1  63 THR HA   1  64 VAL H    1.800 . 3.600 2.223 2.143 2.386     .  0 0 "[    .    1    .    2]" 1 
       353 1  63 THR HB   1  64 VAL H    1.800 . 5.600 3.998 3.693 4.396     .  0 0 "[    .    1    .    2]" 1 
       354 1  63 THR H    1  64 VAL H    1.800 . 6.200 4.087 3.476 4.333     .  0 0 "[    .    1    .    2]" 1 
       355 1  21 THR HB   1  64 VAL H    1.800 . 4.900 4.759 3.661 4.940 0.040  6 0 "[    .    1    .    2]" 1 
       356 1  57 VAL HA   1  64 VAL HA   1.800 . 5.900 4.324 3.446 5.125     .  0 0 "[    .    1    .    2]" 1 
       357 1  64 VAL HA   1  69 ALA MB   1.800 . 6.200 5.095 4.622 5.677     .  0 0 "[    .    1    .    2]" 1 
       358 1  64 VAL HA   1  65 THR H    1.800 . 4.600 2.337 2.317 2.434     .  0 0 "[    .    1    .    2]" 1 
       359 1  64 VAL HB   1  65 THR H    1.800 . 5.600 3.914 3.453 3.952     .  0 0 "[    .    1    .    2]" 1 
       360 1  65 THR H    1  65 THR MG   1.800 . 5.600 3.286 1.866 3.778     .  0 0 "[    .    1    .    2]" 1 
       361 1  64 VAL H    1  65 THR H    1.800 . 6.200 4.426 4.380 4.531     .  0 0 "[    .    1    .    2]" 1 
       362 1  65 THR H    1  66 GLU H    1.800 . 5.200 2.932 2.457 3.166     .  0 0 "[    .    1    .    2]" 1 
       363 1  65 THR HA   1  65 THR MG   1.800 . 5.900 2.279 2.082 3.097     .  0 0 "[    .    1    .    2]" 1 
       364 1  65 THR H    1  69 ALA MB   1.800 . 4.900 3.557 3.186 3.861     .  0 0 "[    .    1    .    2]" 1 
       365 1  65 THR MG   1  66 GLU HB3  1.800 . 4.900 4.071 2.806 4.841     .  0 0 "[    .    1    .    2]" 1 
       366 1  65 THR HB   1  66 GLU H    1.800 . 5.600 2.215 1.906 3.753     .  0 0 "[    .    1    .    2]" 1 
       367 1  66 GLU H    1  67 LEU HA   1.800 . 6.200 4.979 4.926 5.042     .  0 0 "[    .    1    .    2]" 1 
       368 1  66 GLU H    1  70 PHE H    1.800 . 4.900 4.436 3.889 4.882     .  0 0 "[    .    1    .    2]" 1 
       369 1  66 GLU H    1  69 ALA MB   1.800 . 4.900 2.447 2.137 2.822     .  0 0 "[    .    1    .    2]" 1 
       370 1  66 GLU HB2  1  67 LEU HB3  1.800 . 5.800 4.701 4.554 4.871     .  0 0 "[    .    1    .    2]" 1 
       371 1  23 LEU HG   1  66 GLU HA   1.800 . 5.800 5.572 4.943 5.821 0.021 16 0 "[    .    1    .    2]" 1 
       372 1  23 LEU HB2  1  66 GLU HA   1.800 . 5.800 5.241 4.522 5.850 0.050  9 0 "[    .    1    .    2]" 1 
       373 1  66 GLU HB3  1  67 LEU H    1.800 . 5.600 3.573 3.508 3.699     .  0 0 "[    .    1    .    2]" 1 
       374 1  66 GLU HA   1  67 LEU H    1.800 . 3.600 2.625 2.484 2.719     .  0 0 "[    .    1    .    2]" 1 
       375 1  67 LEU H    1  68 ALA MB   1.800 . 5.600 4.211 4.149 4.267     .  0 0 "[    .    1    .    2]" 1 
       376 1  67 LEU H    1  70 PHE H    1.800 . 5.000 5.092 5.028 5.149 0.149 10 0 "[    .    1    .    2]" 1 
       377 1  66 GLU H    1  67 LEU H    1.800 . 5.000 4.359 4.329 4.385     .  0 0 "[    .    1    .    2]" 1 
       378 1  11 VAL HB   1  67 LEU HB3  1.800 . 5.900 4.316 2.846 5.920 0.020 11 0 "[    .    1    .    2]" 1 
       379 1  67 LEU HA   1  70 PHE HB2  1.800 . 4.900 3.726 3.250 4.192     .  0 0 "[    .    1    .    2]" 1 
       380 1  67 LEU HA   1  70 PHE HB3  1.800 . 4.900 2.893 2.647 3.059     .  0 0 "[    .    1    .    2]" 1 
       381 1  67 LEU HA   1  70 PHE HA   1.800 . 5.600 5.443 5.282 5.611 0.011 12 0 "[    .    1    .    2]" 1 
       382 1  67 LEU HB3  1  68 ALA MB   1.800 . 5.600 5.517 5.449 5.584     .  0 0 "[    .    1    .    2]" 1 
       383 1  67 LEU HA   1  68 ALA MB   1.800 . 5.600 4.980 4.947 5.010     .  0 0 "[    .    1    .    2]" 1 
       384 1  67 LEU HA   1  68 ALA H    1.800 . 5.600 3.493 3.461 3.522     .  0 0 "[    .    1    .    2]" 1 
       385 1  67 LEU HB2  1  68 ALA H    1.800 . 5.600 3.753 3.602 3.896     .  0 0 "[    .    1    .    2]" 1 
       386 1  67 LEU HB3  1  68 ALA H    1.800 . 5.600 4.101 4.003 4.169     .  0 0 "[    .    1    .    2]" 1 
       387 1  68 ALA H    1  69 ALA HA   1.800 . 5.600 5.323 5.249 5.359     .  0 0 "[    .    1    .    2]" 1 
       388 1  68 ALA H    1  68 ALA MB   1.800 . 5.600 2.137 2.023 2.233     .  0 0 "[    .    1    .    2]" 1 
       389 1  68 ALA H    1  70 PHE HB3  1.800 . 5.500 5.408 5.257 5.510 0.010 18 0 "[    .    1    .    2]" 1 
       390 1  68 ALA H    1  70 PHE H    1.800 . 4.500 4.272 4.162 4.406     .  0 0 "[    .    1    .    2]" 1 
       391 1  68 ALA H    1  71 ASN HB2  1.800 . 6.500 5.264 4.945 5.629     .  0 0 "[    .    1    .    2]" 1 
       392 1  68 ALA H    1  69 ALA H    1.800 . 5.100 2.725 2.635 2.769     .  0 0 "[    .    1    .    2]" 1 
       393 1  66 GLU HA   1  68 ALA H    1.800 . 4.900 4.415 4.211 4.565     .  0 0 "[    .    1    .    2]" 1 
       394 1  66 GLU HB3  1  68 ALA H    1.800 . 5.300 4.314 4.204 4.446     .  0 0 "[    .    1    .    2]" 1 
       395 1  68 ALA MB   1  71 ASN HB3  1.800 . 5.300 4.290 3.966 4.685     .  0 0 "[    .    1    .    2]" 1 
       396 1  66 GLU HB3  1  68 ALA MB   1.800 . 5.300 4.537 4.347 4.697     .  0 0 "[    .    1    .    2]" 1 
       397 1  68 ALA MB   1  69 ALA H    1.800 . 4.600 2.637 2.483 2.797     .  0 0 "[    .    1    .    2]" 1 
       398 1  68 ALA HA   1  69 ALA H    1.800 . 3.600 3.527 3.513 3.546     .  0 0 "[    .    1    .    2]" 1 
       399 1  69 ALA H    1  69 ALA MB   1.800 . 5.600 2.128 2.029 2.237     .  0 0 "[    .    1    .    2]" 1 
       400 1  69 ALA H    1  70 PHE HA   1.800 . 5.600 5.254 5.187 5.349     .  0 0 "[    .    1    .    2]" 1 
       401 1  69 ALA H    1  70 PHE H    1.800 . 4.900 2.640 2.566 2.761     .  0 0 "[    .    1    .    2]" 1 
       402 1  66 GLU HA   1  69 ALA H    1.800 . 5.200 4.858 4.765 4.970     .  0 0 "[    .    1    .    2]" 1 
       403 1  69 ALA H    1  71 ASN HB2  1.800 . 6.200 5.631 5.347 6.026     .  0 0 "[    .    1    .    2]" 1 
       404 1  66 GLU HB3  1  69 ALA H    1.800 . 5.000 4.919 4.636 5.028 0.028  4 0 "[    .    1    .    2]" 1 
       405 1  67 LEU HB3  1  69 ALA H    1.800 . 6.200 5.866 5.761 6.022     .  0 0 "[    .    1    .    2]" 1 
       406 1  69 ALA H    1  70 PHE HB3  1.800 . 4.900 4.816 4.690 4.907 0.007  8 0 "[    .    1    .    2]" 1 
       407 1  69 ALA HA   1  72 THR MG   1.800 . 4.900 3.690 2.017 4.532     .  0 0 "[    .    1    .    2]" 1 
       408 1  69 ALA MB   1  70 PHE H    1.800 . 4.600 2.600 2.420 2.804     .  0 0 "[    .    1    .    2]" 1 
       409 1  69 ALA HA   1  70 PHE H    1.800 . 4.600 3.540 3.511 3.560     .  0 0 "[    .    1    .    2]" 1 
       410 1  70 PHE H    1  71 ASN H    1.800 . 5.000 2.577 2.533 2.640     .  0 0 "[    .    1    .    2]" 1 
       411 1  70 PHE H    1  71 ASN HB2  1.800 . 5.000 4.773 4.487 5.009 0.009  9 0 "[    .    1    .    2]" 1 
       412 1  70 PHE HA   1  73 VAL MG2  1.800 . 5.100 2.435 1.889 3.286     .  0 0 "[    .    1    .    2]" 1 
       413 1  70 PHE HA   1  71 ASN H    1.800 . 4.600 3.513 3.468 3.550     .  0 0 "[    .    1    .    2]" 1 
       414 1  70 PHE HB2  1  71 ASN H    1.800 . 4.600 3.981 3.779 4.168     .  0 0 "[    .    1    .    2]" 1 
       415 1  70 PHE HB3  1  71 ASN H    1.800 . 4.600 2.744 2.481 2.990     .  0 0 "[    .    1    .    2]" 1 
       416 1  69 ALA H    1  71 ASN H    1.800 . 4.900 4.020 3.860 4.215     .  0 0 "[    .    1    .    2]" 1 
       417 1  71 ASN H    1  72 THR H    1.800 . 4.900 2.556 2.491 2.694     .  0 0 "[    .    1    .    2]" 1 
       418 1  71 ASN H    1  73 VAL MG2  1.800 . 5.600 4.459 3.888 5.297     .  0 0 "[    .    1    .    2]" 1 
       419 1  71 ASN HA   1  74 VAL HB   1.800 . 4.900 3.186 2.654 4.355     .  0 0 "[    .    1    .    2]" 1 
       420 1  70 PHE HB3  1  71 ASN HB3  1.800 . 6.100 5.245 4.959 5.605     .  0 0 "[    .    1    .    2]" 1 
       421 1  68 ALA HA   1  71 ASN HD22 1.800 . 5.900 5.605 5.141 5.916 0.016 19 0 "[    .    1    .    2]" 1 
       422 1   4 ARG H    1  71 ASN HD22 1.800 . 5.900 5.800 4.672 5.944 0.044  5 0 "[    .    1    .    2]" 1 
       423 1  68 ALA HA   1  71 ASN HB3  1.800 . 5.300 2.953 2.521 3.721     .  0 0 "[    .    1    .    2]" 1 
       424 1  71 ASN HB3  1  72 THR H    1.800 . 5.600 2.751 2.493 2.839     .  0 0 "[    .    1    .    2]" 1 
       425 1  71 ASN HB2  1  72 THR H    1.800 . 5.600 3.806 3.479 3.965     .  0 0 "[    .    1    .    2]" 1 
       426 1  71 ASN HA   1  72 THR H    1.800 . 4.600 3.513 3.494 3.547     .  0 0 "[    .    1    .    2]" 1 
       427 1  72 THR H    1  72 THR MG   1.800 . 5.600 3.107 1.911 3.776     .  0 0 "[    .    1    .    2]" 1 
       428 1  70 PHE H    1  72 THR H    1.800 . 4.900 4.069 3.949 4.316     .  0 0 "[    .    1    .    2]" 1 
       429 1  72 THR H    1  73 VAL H    1.800 . 4.900 2.606 2.549 2.709     .  0 0 "[    .    1    .    2]" 1 
       430 1  70 PHE HB2  1  72 THR H    1.800 . 6.200 5.824 5.665 6.067     .  0 0 "[    .    1    .    2]" 1 
       431 1  69 ALA MB   1  72 THR H    1.800 . 5.200 4.629 4.564 4.746     .  0 0 "[    .    1    .    2]" 1 
       432 1  68 ALA MB   1  72 THR H    1.800 . 5.900 4.668 4.387 5.023     .  0 0 "[    .    1    .    2]" 1 
       433 1  72 THR HB   1  75 ALA MB   1.800 . 5.900 5.001 4.413 5.407     .  0 0 "[    .    1    .    2]" 1 
       434 1  72 THR HA   1  73 VAL H    1.800 . 4.600 3.549 3.514 3.556     .  0 0 "[    .    1    .    2]" 1 
       435 1  72 THR MG   1  73 VAL H    1.800 . 4.600 3.613 2.118 4.131     .  0 0 "[    .    1    .    2]" 1 
       436 1  73 VAL H    1  73 VAL MG2  1.800 . 4.600 2.074 1.864 2.415     .  0 0 "[    .    1    .    2]" 1 
       437 1  73 VAL H    1  74 VAL H    1.800 . 4.900 2.683 2.625 2.805     .  0 0 "[    .    1    .    2]" 1 
       438 1  73 VAL H    1  77 HIS H    1.800 . 6.500 6.003 5.548 6.375     .  0 0 "[    .    1    .    2]" 1 
       439 1  71 ASN HB3  1  73 VAL H    1.800 . 5.200 5.194 4.854 5.262 0.062 11 0 "[    .    1    .    2]" 1 
       440 1  70 PHE HA   1  73 VAL HB   1.800 . 4.900 3.859 2.629 4.786     .  0 0 "[    .    1    .    2]" 1 
       441 1  73 VAL HA   1  76 ARG HB2  1.800 . 4.900 2.679 2.413 2.967     .  0 0 "[    .    1    .    2]" 1 
       442 1  73 VAL HA   1  73 VAL MG1  1.800 . 5.500 2.328 2.195 2.415     .  0 0 "[    .    1    .    2]" 1 
       443 1  73 VAL HB   1  74 VAL H    1.800 . 4.600 3.108 2.429 3.651     .  0 0 "[    .    1    .    2]" 1 
       444 1  73 VAL MG1  1  74 VAL H    1.800 . 4.600 3.649 3.159 3.951     .  0 0 "[    .    1    .    2]" 1 
       445 1  73 VAL MG2  1  74 VAL H    1.800 . 4.600 2.824 1.958 3.900     .  0 0 "[    .    1    .    2]" 1 
       446 1  74 VAL H    1  75 ALA MB   1.800 . 5.600 4.303 4.269 4.404     .  0 0 "[    .    1    .    2]" 1 
       447 1  74 VAL H    1  75 ALA H    1.800 . 4.600 2.639 2.568 2.733     .  0 0 "[    .    1    .    2]" 1 
       448 1  70 PHE H    1  74 VAL H    1.800 . 5.900 5.986 5.927 6.023 0.123 10 0 "[    .    1    .    2]" 1 
       449 1  71 ASN HA   1  74 VAL H    1.800 . 5.000 3.711 3.588 3.873     .  0 0 "[    .    1    .    2]" 1 
       450 1  70 PHE HA   1  74 VAL H    1.800 . 4.900 3.943 3.807 4.050     .  0 0 "[    .    1    .    2]" 1 
       451 1  73 VAL MG2  1  74 VAL HB   1.800 . 6.000 4.513 2.919 5.956     .  0 0 "[    .    1    .    2]" 1 
       452 1  71 ASN H    1  74 VAL HB   1.800 . 6.000 5.352 5.003 6.011 0.011 10 0 "[    .    1    .    2]" 1 
       453 1  74 VAL HA   1  75 ALA H    1.800 . 4.900 3.543 3.521 3.561     .  0 0 "[    .    1    .    2]" 1 
       454 1  74 VAL HB   1  75 ALA H    1.800 . 4.900 2.874 2.415 3.957     .  0 0 "[    .    1    .    2]" 1 
       455 1  75 ALA H    1  77 HIS H    1.800 . 6.200 4.193 3.743 4.496     .  0 0 "[    .    1    .    2]" 1 
       456 1  75 ALA MB   1  76 ARG H    1.800 . 5.600 2.550 2.480 2.678     .  0 0 "[    .    1    .    2]" 1 
       457 1  75 ALA HA   1  76 ARG H    1.800 . 5.600 3.542 3.513 3.548     .  0 0 "[    .    1    .    2]" 1 
       458 1  76 ARG H    1  77 HIS HA   1.800 . 6.200 5.326 5.086 5.482     .  0 0 "[    .    1    .    2]" 1 
       459 1  74 VAL HB   1  76 ARG H    1.800 . 5.900 5.223 4.894 5.928 0.028 20 0 "[    .    1    .    2]" 1 
       460 1  73 VAL HB   1  76 ARG H    1.800 . 5.900 5.618 5.405 5.702     .  0 0 "[    .    1    .    2]" 1 
       461 1  73 VAL HA   1  76 ARG H    1.800 . 5.000 3.697 3.482 3.863     .  0 0 "[    .    1    .    2]" 1 
       462 1  73 VAL H    1  76 ARG H    1.800 . 5.000 4.602 4.490 4.658     .  0 0 "[    .    1    .    2]" 1 
       463 1  76 ARG H    1  77 HIS H    1.800 . 4.900 2.740 2.475 2.957     .  0 0 "[    .    1    .    2]" 1 
       464 1  72 THR H    1  76 ARG H    1.800 . 5.600 5.658 5.603 5.708 0.108 18 0 "[    .    1    .    2]" 1 
       465 1  73 VAL MG2  1  76 ARG H    1.800 . 6.200 5.124 4.986 5.367     .  0 0 "[    .    1    .    2]" 1 
       466 1  72 THR MG   1  76 ARG HB2  1.800 . 6.200 4.594 3.423 5.781     .  0 0 "[    .    1    .    2]" 1 
       467 1  76 ARG HB2  1  77 HIS H    1.800 . 4.600 2.784 2.427 3.149     .  0 0 "[    .    1    .    2]" 1 
       468 1  76 ARG HA   1  77 HIS H    1.800 . 4.600 3.530 3.417 3.567     .  0 0 "[    .    1    .    2]" 1 
       469 1  73 VAL MG2  1  77 HIS H    1.800 . 5.600 5.471 4.966 5.677 0.077 13 0 "[    .    1    .    2]" 1 
       470 1  76 ARG HB2  1  77 HIS HA   1.800 . 5.600 4.798 4.512 5.118     .  0 0 "[    .    1    .    2]" 1 
       471 1  77 HIS HA   1  78 VAL H    1.800 . 5.600 2.716 2.147 3.550     .  0 0 "[    .    1    .    2]" 1 
       472 1  78 VAL H    1  78 VAL MG1  1.800 . 5.600 3.110 2.113 4.007     .  0 0 "[    .    1    .    2]" 1 
       473 1  78 VAL H    1  78 VAL MG2  1.800 . 5.600 2.944 1.897 3.919     .  0 0 "[    .    1    .    2]" 1 
       474 1  78 VAL H    1  79 ARG HA   1.800 . 6.200 4.830 4.128 5.441     .  0 0 "[    .    1    .    2]" 1 
       475 1  78 VAL H    1  79 ARG H    1.800 . 4.900 2.952 2.524 3.346     .  0 0 "[    .    1    .    2]" 1 
       476 1  78 VAL H    1  82 ALA MB   1.800 . 5.700 5.286 4.561 5.708 0.008 18 0 "[    .    1    .    2]" 1 
       477 1  78 VAL HA   1  78 VAL MG1  1.800 . 5.000 2.638 2.114 3.200     .  0 0 "[    .    1    .    2]" 1 
       478 1  78 VAL HA   1 102 GLY HA2  1.800 . 6.200 6.142 5.812 6.294 0.094 14 0 "[    .    1    .    2]" 1 
       479 1  78 VAL HA   1  78 VAL MG2  1.800 . 6.200 2.500 2.122 3.199     .  0 0 "[    .    1    .    2]" 1 
       480 1  34 GLY H    1  78 VAL MG1  1.800 . 5.900 4.633 2.773 5.931 0.031 19 0 "[    .    1    .    2]" 1 
       481 1  78 VAL HA   1  79 ARG H    1.800 . 4.900 2.743 2.328 2.996     .  0 0 "[    .    1    .    2]" 1 
       482 1  78 VAL HB   1  79 ARG H    1.800 . 4.900 4.453 4.228 4.640     .  0 0 "[    .    1    .    2]" 1 
       483 1  78 VAL MG1  1  79 ARG H    1.800 . 5.600 3.805 3.341 4.381     .  0 0 "[    .    1    .    2]" 1 
       484 1  78 VAL MG2  1  79 ARG H    1.800 . 5.600 4.134 3.517 4.368     .  0 0 "[    .    1    .    2]" 1 
       485 1  77 HIS HB2  1  79 ARG H    1.800 . 4.400 4.367 3.796 4.571 0.171 17 0 "[    .    1    .    2]" 1 
       486 1  79 ARG H    1  82 ALA H    1.800 . 5.400 4.872 4.013 5.434 0.034  7 0 "[    .    1    .    2]" 1 
       487 1   1 PRO HB3  1  79 ARG H    1.800 . 6.400 6.036 4.876 6.452 0.052  2 0 "[    .    1    .    2]" 1 
       488 1  79 ARG H    1 101 VAL HB   1.800 . 6.400 4.979 3.538 6.053     .  0 0 "[    .    1    .    2]" 1 
       489 1  80 PRO HB3  1  81 SER H    1.800 . 5.600 4.349 4.063 4.488     .  0 0 "[    .    1    .    2]" 1 
       490 1  80 PRO HB2  1  81 SER H    1.800 . 5.600 3.861 3.624 4.185     .  0 0 "[    .    1    .    2]" 1 
       491 1  80 PRO HA   1  81 SER H    1.800 . 4.000 2.810 2.150 3.444     .  0 0 "[    .    1    .    2]" 1 
       492 1  81 SER H    1  82 ALA H    1.800 . 5.000 2.815 2.212 3.298     .  0 0 "[    .    1    .    2]" 1 
       493 1  81 SER H    1 101 VAL H    1.800 . 5.900 5.781 5.117 6.000 0.100 12 0 "[    .    1    .    2]" 1 
       494 1  81 SER H    1 101 VAL HB   1.800 . 6.100 5.853 5.587 6.197 0.097 10 0 "[    .    1    .    2]" 1 
       495 1  81 SER H    1 102 GLY H    1.800 . 5.900 5.426 4.687 6.036 0.136  1 0 "[    .    1    .    2]" 1 
       496 1  81 SER H    1 102 GLY HA2  1.800 . 4.400 2.794 1.937 3.784     .  0 0 "[    .    1    .    2]" 1 
       497 1  82 ALA H    1  83 SER HA   1.800 . 6.500 5.052 4.796 5.466     .  0 0 "[    .    1    .    2]" 1 
       498 1  82 ALA H    1  82 ALA MB   1.800 . 5.000 2.293 2.032 2.497     .  0 0 "[    .    1    .    2]" 1 
       499 1  82 ALA H    1  83 SER H    1.800 . 5.000 4.420 4.206 4.570     .  0 0 "[    .    1    .    2]" 1 
       500 1  82 ALA H    1 101 VAL HB   1.800 . 5.000 4.138 3.563 5.038 0.038 17 0 "[    .    1    .    2]" 1 
       501 1  82 ALA H    1 101 VAL H    1.800 . 4.400 3.555 2.658 3.993     .  0 0 "[    .    1    .    2]" 1 
       502 1  82 ALA MB   1 101 VAL HB   1.800 . 5.400 3.817 3.265 4.632     .  0 0 "[    .    1    .    2]" 1 
       503 1  81 SER HA   1  82 ALA MB   1.800 . 6.100 4.333 4.122 4.467     .  0 0 "[    .    1    .    2]" 1 
       504 1  82 ALA MB   1  83 SER H    1.800 . 4.600 3.097 2.777 3.426     .  0 0 "[    .    1    .    2]" 1 
       505 1  82 ALA HA   1  83 SER H    1.800 . 4.600 2.168 2.141 2.239     .  0 0 "[    .    1    .    2]" 1 
       506 1  83 SER H    1  84 ILE H    1.800 . 6.000 4.217 3.964 4.464     .  0 0 "[    .    1    .    2]" 1 
       507 1  83 SER HB3  1  98 THR MG   1.800 . 6.000 2.618 1.975 4.225     .  0 0 "[    .    1    .    2]" 1 
       508 1  83 SER HA   1 100 VAL HA   1.800 . 4.200 2.988 2.437 3.664     .  0 0 "[    .    1    .    2]" 1 
       509 1  83 SER HB3  1  84 ILE H    1.800 . 6.000 3.898 3.439 4.274     .  0 0 "[    .    1    .    2]" 1 
       510 1  83 SER HB3  1  99 ILE H    1.800 . 6.000 5.464 4.411 6.007 0.007 14 0 "[    .    1    .    2]" 1 
       511 1  83 SER HA   1  99 ILE H    1.800 . 6.000 4.626 4.012 5.154     .  0 0 "[    .    1    .    2]" 1 
       512 1  83 SER HB2  1  84 ILE H    1.800 . 5.600 4.244 3.688 4.640     .  0 0 "[    .    1    .    2]" 1 
       513 1  83 SER HA   1  84 ILE H    1.800 . 5.600 2.183 2.138 2.289     .  0 0 "[    .    1    .    2]" 1 
       514 1  84 ILE H    1  99 ILE H    1.800 . 4.600 3.665 3.335 4.030     .  0 0 "[    .    1    .    2]" 1 
       515 1  84 ILE H    1 100 VAL HA   1.800 . 6.500 4.024 3.421 4.332     .  0 0 "[    .    1    .    2]" 1 
       516 1  84 ILE H    1  99 ILE HA   1.800 . 6.400 5.374 5.171 5.554     .  0 0 "[    .    1    .    2]" 1 
       517 1  84 ILE H    1  99 ILE HB   1.800 . 6.400 4.783 3.194 5.647     .  0 0 "[    .    1    .    2]" 1 
       518 1  84 ILE H    1  98 THR MG   1.800 . 5.400 3.418 2.505 5.415 0.015 16 0 "[    .    1    .    2]" 1 
       519 1  85 PRO HA   1  86 VAL H    1.800 . 4.900 2.173 2.151 2.211     .  0 0 "[    .    1    .    2]" 1 
       520 1  85 PRO HA   1  98 THR MG   1.800 . 5.900 3.674 2.707 5.519     .  0 0 "[    .    1    .    2]" 1 
       521 1  85 PRO HA   1  99 ILE H    1.800 . 4.900 4.292 3.818 4.686     .  0 0 "[    .    1    .    2]" 1 
       522 1  85 PRO HB2  1  86 VAL H    1.800 . 5.600 3.831 3.576 3.984     .  0 0 "[    .    1    .    2]" 1 
       523 1  85 PRO HB3  1  86 VAL H    1.800 . 5.600 4.212 4.030 4.326     .  0 0 "[    .    1    .    2]" 1 
       524 1  86 VAL H    1  97 ALA H    1.800 . 4.100 4.117 4.052 4.158 0.058 17 0 "[    .    1    .    2]" 1 
       525 1  86 VAL H    1  96 SER HA   1.800 . 6.200 5.642 5.502 5.750     .  0 0 "[    .    1    .    2]" 1 
       526 1  86 VAL H    1  97 ALA MB   1.800 . 5.300 4.844 4.717 4.952     .  0 0 "[    .    1    .    2]" 1 
       527 1  86 VAL HA   1  87 VAL H    1.800 . 3.600 2.155 2.141 2.202     .  0 0 "[    .    1    .    2]" 1 
       528 1  86 VAL HB   1  87 VAL H    1.800 . 5.600 4.163 3.004 4.358     .  0 0 "[    .    1    .    2]" 1 
       529 1  57 VAL H    1  87 VAL H    1.800 . 4.600 4.598 4.198 4.690 0.090 14 0 "[    .    1    .    2]" 1 
       530 1  58 ARG H    1  87 VAL H    1.800 . 4.800 3.829 2.894 4.937 0.137  2 0 "[    .    1    .    2]" 1 
       531 1  60 ALA H    1  87 VAL H    1.800 . 5.600 5.656 5.601 5.712 0.112 10 0 "[    .    1    .    2]" 1 
       532 1  58 ARG HA   1  87 VAL H    1.800 . 4.600 3.415 2.123 4.608 0.008  8 0 "[    .    1    .    2]" 1 
       533 1  87 VAL HA   1  96 SER HA   1.800 . 4.500 2.788 2.398 3.133     .  0 0 "[    .    1    .    2]" 1 
       534 1  87 VAL HA   1  88 PHE H    1.800 . 4.600 2.153 2.140 2.184     .  0 0 "[    .    1    .    2]" 1 
       535 1  88 PHE H    1  89 SER H    1.800 . 6.200 4.498 4.443 4.541     .  0 0 "[    .    1    .    2]" 1 
       536 1  88 PHE H    1  96 SER HA   1.800 . 4.600 3.261 3.050 3.406     .  0 0 "[    .    1    .    2]" 1 
       537 1  88 PHE H    1  95 MET HG3  1.800 . 5.600 5.502 4.987 5.674 0.074  9 0 "[    .    1    .    2]" 1 
       538 1  88 PHE H    1  95 MET HB3  1.800 . 5.200 4.536 4.001 5.323 0.123  9 0 "[    .    1    .    2]" 1 
       539 1  88 PHE HB2  1  89 SER H    1.800 . 5.600 3.225 2.525 3.785     .  0 0 "[    .    1    .    2]" 1 
       540 1  88 PHE HB3  1  89 SER H    1.800 . 5.600 4.089 2.479 4.325     .  0 0 "[    .    1    .    2]" 1 
       541 1  88 PHE HA   1  89 SER H    1.800 . 4.600 2.273 2.185 2.398     .  0 0 "[    .    1    .    2]" 1 
       542 1  89 SER HB2  1  94 VAL HA   1.800 . 5.600 5.326 4.747 5.608 0.008 12 0 "[    .    1    .    2]" 1 
       543 1  56 LEU HA   1  89 SER H    1.800 . 4.900 4.609 4.007 4.969 0.069 18 0 "[    .    1    .    2]" 1 
       544 1  55 GLN HG3  1  89 SER HB2  1.800 . 5.600 4.139 3.205 5.062     .  0 0 "[    .    1    .    2]" 1 
       545 1  89 SER HA   1  94 VAL HA   1.800 . 4.900 3.508 3.360 3.567     .  0 0 "[    .    1    .    2]" 1 
       546 1  89 SER HA   1  90 ARG HB3  1.800 . 5.600 4.831 4.556 5.518     .  0 0 "[    .    1    .    2]" 1 
       547 1  89 SER HA   1  94 VAL MG2  1.800 . 5.200 4.846 4.533 5.203 0.003  9 0 "[    .    1    .    2]" 1 
       548 1  89 SER HB3  1  90 ARG H    1.800 . 5.600 3.019 2.918 3.475     .  0 0 "[    .    1    .    2]" 1 
       549 1  89 SER HB2  1  90 ARG H    1.800 . 5.600 4.207 4.152 4.447     .  0 0 "[    .    1    .    2]" 1 
       550 1  89 SER HA   1  90 ARG H    1.800 . 3.900 2.252 2.153 2.262     .  0 0 "[    .    1    .    2]" 1 
       551 1  90 ARG H    1  91 ASP HB2  1.800 . 6.200 5.528 5.381 5.972     .  0 0 "[    .    1    .    2]" 1 
       552 1  90 ARG H    1  91 ASP H    1.800 . 5.900 3.452 3.297 3.584     .  0 0 "[    .    1    .    2]" 1 
       553 1  90 ARG H    1  94 VAL H    1.800 . 6.000 4.991 4.885 5.111     .  0 0 "[    .    1    .    2]" 1 
       554 1  90 ARG H    1  93 VAL H    1.800 . 4.000 2.758 2.574 3.250     .  0 0 "[    .    1    .    2]" 1 
       555 1  90 ARG H    1  94 VAL HA   1.800 . 5.000 4.623 4.515 4.711     .  0 0 "[    .    1    .    2]" 1 
       556 1  90 ARG HA   1  91 ASP H    1.800 . 3.600 2.409 2.368 2.478     .  0 0 "[    .    1    .    2]" 1 
       557 1  91 ASP H    1  92 GLY H    1.800 . 4.600 2.812 2.690 3.420     .  0 0 "[    .    1    .    2]" 1 
       558 1  91 ASP H    1  92 GLY HA3  1.800 . 6.000 5.336 5.285 5.590     .  0 0 "[    .    1    .    2]" 1 
       559 1  91 ASP H    1  93 VAL H    1.800 . 5.900 3.811 3.721 3.883     .  0 0 "[    .    1    .    2]" 1 
       560 1  16 ASP HA   1  91 ASP H    1.800 . 5.900 5.662 5.245 5.973 0.073 20 0 "[    .    1    .    2]" 1 
       561 1  90 ARG HA   1  91 ASP HB2  1.800 . 5.900 4.814 4.651 4.864     .  0 0 "[    .    1    .    2]" 1 
       562 1  16 ASP HB3  1  91 ASP HB2  1.800 . 5.900 5.802 4.902 5.973 0.073 18 0 "[    .    1    .    2]" 1 
       563 1  91 ASP HB2  1  92 GLY H    1.800 . 6.500 4.307 4.271 4.371     .  0 0 "[    .    1    .    2]" 1 
       564 1  91 ASP HB3  1  92 GLY H    1.800 . 6.500 4.476 4.155 4.535     .  0 0 "[    .    1    .    2]" 1 
       565 1  90 ARG H    1  92 GLY H    1.800 . 5.900 3.771 3.550 4.870     .  0 0 "[    .    1    .    2]" 1 
       566 1  92 GLY H    1  93 VAL H    1.800 . 4.600 2.634 2.472 2.881     .  0 0 "[    .    1    .    2]" 1 
       567 1  92 GLY H    1  93 VAL HB   1.800 . 6.000 4.708 4.621 5.058     .  0 0 "[    .    1    .    2]" 1 
       568 1  16 ASP HB3  1  92 GLY H    1.800 . 4.900 3.138 2.487 3.404     .  0 0 "[    .    1    .    2]" 1 
       569 1  92 GLY HA3  1  93 VAL H    1.800 . 4.600 3.067 2.969 3.164     .  0 0 "[    .    1    .    2]" 1 
       570 1  91 ASP HB2  1  93 VAL H    1.800 . 6.200 4.046 3.938 4.359     .  0 0 "[    .    1    .    2]" 1 
       571 1  91 ASP HB3  1  93 VAL H    1.800 . 6.200 5.158 5.037 5.253     .  0 0 "[    .    1    .    2]" 1 
       572 1  89 SER HA   1  93 VAL H    1.800 . 5.900 4.577 4.405 4.749     .  0 0 "[    .    1    .    2]" 1 
       573 1  90 ARG H    1  93 VAL HB   1.800 . 4.900 1.974 1.917 2.078     .  0 0 "[    .    1    .    2]" 1 
       574 1  93 VAL HA   1  94 VAL H    1.800 . 3.600 2.196 2.146 2.240     .  0 0 "[    .    1    .    2]" 1 
       575 1  93 VAL HB   1  94 VAL H    1.800 . 5.600 4.037 3.895 4.228     .  0 0 "[    .    1    .    2]" 1 
       576 1  93 VAL H    1  94 VAL H    1.800 . 5.600 4.589 4.503 4.620     .  0 0 "[    .    1    .    2]" 1 
       577 1  94 VAL H    1  95 MET H    1.800 . 5.600 4.252 4.230 4.340     .  0 0 "[    .    1    .    2]" 1 
       578 1  89 SER HA   1  94 VAL H    1.800 . 6.200 5.173 5.088 5.247     .  0 0 "[    .    1    .    2]" 1 
       579 1  94 VAL HA   1  94 VAL MG2  1.800 . 5.200 2.369 2.054 2.431     .  0 0 "[    .    1    .    2]" 1 
       580 1  94 VAL HA   1  95 MET H    1.800 . 3.600 2.146 2.142 2.148     .  0 0 "[    .    1    .    2]" 1 
       581 1  94 VAL MG2  1  95 MET H    1.800 . 4.600 3.696 2.493 4.143     .  0 0 "[    .    1    .    2]" 1 
       582 1  95 MET H    1  96 SER H    1.800 . 6.200 4.393 4.354 4.432     .  0 0 "[    .    1    .    2]" 1 
       583 1  95 MET H    1  95 MET HG3  1.800 . 6.200 4.459 3.073 4.691     .  0 0 "[    .    1    .    2]" 1 
       584 1  88 PHE H    1  95 MET H    1.800 . 4.900 4.127 3.936 4.356     .  0 0 "[    .    1    .    2]" 1 
       585 1  89 SER HA   1  95 MET H    1.800 . 4.900 3.601 3.406 3.718     .  0 0 "[    .    1    .    2]" 1 
       586 1  89 SER HB2  1  95 MET H    1.800 . 6.000 5.772 5.315 6.023 0.023 18 0 "[    .    1    .    2]" 1 
       587 1  89 SER HB3  1  95 MET H    1.800 . 6.000 5.987 5.676 6.079 0.079 18 0 "[    .    1    .    2]" 1 
       588 1  95 MET HA   1  96 SER H    1.800 . 3.600 2.339 2.291 2.435     .  0 0 "[    .    1    .    2]" 1 
       589 1  95 MET HB2  1  96 SER H    1.800 . 4.600 3.928 3.324 4.020     .  0 0 "[    .    1    .    2]" 1 
       590 1  95 MET HB3  1  96 SER H    1.800 . 4.600 3.478 2.456 3.825     .  0 0 "[    .    1    .    2]" 1 
       591 1  95 MET HG2  1  96 SER H    1.800 . 5.600 3.789 3.641 4.488     .  0 0 "[    .    1    .    2]" 1 
       592 1  95 MET HG3  1  96 SER H    1.800 . 5.600 2.375 1.927 5.089     .  0 0 "[    .    1    .    2]" 1 
       593 1  96 SER HA   1  97 ALA MB   1.800 . 6.400 3.901 3.829 3.963     .  0 0 "[    .    1    .    2]" 1 
       594 1  96 SER HA   1  97 ALA H    1.800 . 3.600 2.168 2.155 2.187     .  0 0 "[    .    1    .    2]" 1 
       595 1  97 ALA H    1  97 ALA MB   1.800 . 4.600 2.598 2.558 2.654     .  0 0 "[    .    1    .    2]" 1 
       596 1  97 ALA H    1  98 THR H    1.800 . 5.900 4.330 4.323 4.335     .  0 0 "[    .    1    .    2]" 1 
       597 1  97 ALA H    1  98 THR HA   1.800 . 4.900 4.706 4.698 4.713     .  0 0 "[    .    1    .    2]" 1 
       598 1  96 SER H    1  97 ALA H    1.800 . 5.900 4.417 4.300 4.472     .  0 0 "[    .    1    .    2]" 1 
       599 1  86 VAL HB   1  97 ALA H    1.800 . 5.600 4.816 4.511 5.665 0.065 14 0 "[    .    1    .    2]" 1 
       600 1  87 VAL HB   1  97 ALA H    1.800 . 6.500 5.956 4.718 6.523 0.023  5 0 "[    .    1    .    2]" 1 
       601 1  97 ALA HA   1  98 THR H    1.800 . 3.600 2.203 2.198 2.209     .  0 0 "[    .    1    .    2]" 1 
       602 1  48 ALA MB   1  98 THR HA   1.800 . 5.400 5.338 4.733 5.473 0.073 11 0 "[    .    1    .    2]" 1 
       603 1  86 VAL H    1  98 THR HA   1.800 . 4.900 3.031 2.784 3.315     .  0 0 "[    .    1    .    2]" 1 
       604 1  48 ALA MB   1  98 THR MG   1.800 . 5.400 5.213 4.874 5.411 0.011 12 0 "[    .    1    .    2]" 1 
       605 1  98 THR HB   1  99 ILE H    1.800 . 5.400 4.115 3.916 4.259     .  0 0 "[    .    1    .    2]" 1 
       606 1  98 THR HA   1  98 THR MG   1.800 . 5.400 2.401 2.226 3.196     .  0 0 "[    .    1    .    2]" 1 
       607 1  98 THR HA   1  99 ILE H    1.800 . 3.600 2.156 2.142 2.170     .  0 0 "[    .    1    .    2]" 1 
       608 1  98 THR MG   1  99 ILE H    1.800 . 4.600 2.708 2.271 4.119     .  0 0 "[    .    1    .    2]" 1 
       609 1  48 ALA MB   1  99 ILE HA   1.800 . 5.400 2.183 1.916 2.970     .  0 0 "[    .    1    .    2]" 1 
       610 1  99 ILE HA   1 100 VAL H    1.800 . 3.600 2.148 2.144 2.153     .  0 0 "[    .    1    .    2]" 1 
       611 1  99 ILE HB   1 100 VAL H    1.800 . 5.600 3.607 3.234 4.346     .  0 0 "[    .    1    .    2]" 1 
       612 1  48 ALA MB   1 100 VAL H    1.800 . 5.600 3.090 2.052 4.478     .  0 0 "[    .    1    .    2]" 1 
       613 1 100 VAL HA   1 101 VAL H    1.800 . 4.600 2.213 2.146 2.275     .  0 0 "[    .    1    .    2]" 1 
       614 1 100 VAL HB   1 101 VAL H    1.800 . 5.600 3.873 3.607 4.027     .  0 0 "[    .    1    .    2]" 1 
       615 1 101 VAL H    1 102 GLY H    1.800 . 6.000 4.376 4.334 4.587     .  0 0 "[    .    1    .    2]" 1 
       616 1 100 VAL H    1 101 VAL H    1.800 . 6.000 4.094 3.912 4.331     .  0 0 "[    .    1    .    2]" 1 
       617 1 100 VAL HB   1 101 VAL HB   1.800 . 6.200 6.144 5.964 6.531 0.331 17 0 "[    .    1    .    2]" 1 
       618 1  83 SER HA   1 101 VAL H    1.800 . 4.900 4.126 3.415 4.524     .  0 0 "[    .    1    .    2]" 1 
       619 1  82 ALA MB   1 101 VAL H    1.800 . 5.400 3.969 3.476 4.516     .  0 0 "[    .    1    .    2]" 1 
       620 1  44 PRO HA   1 101 VAL HB   1.800 . 6.000 5.999 5.551 6.080 0.080 19 0 "[    .    1    .    2]" 1 
       621 1 101 VAL HA   1 102 GLY H    1.800 . 4.600 2.155 2.148 2.181     .  0 0 "[    .    1    .    2]" 1 
       622 1 101 VAL HB   1 102 GLY H    1.800 . 5.600 4.306 3.612 4.448     .  0 0 "[    .    1    .    2]" 1 
       623 1  44 PRO HA   1 102 GLY H    1.800 . 5.800 4.458 2.894 5.602     .  0 0 "[    .    1    .    2]" 1 
       624 1 102 GLY HA2  1 103 GLU H    1.800 . 5.600 2.321 2.139 3.558     .  0 0 "[    .    1    .    2]" 1 
       625 1 102 GLY HA3  1 103 GLU H    1.800 . 5.600 3.344 2.731 3.569     .  0 0 "[    .    1    .    2]" 1 
       626 1 101 VAL HA   1 103 GLU H    1.800 . 6.000 5.297 4.032 6.013 0.013 17 0 "[    .    1    .    2]" 1 
       627 1 103 GLU H    1 104 LEU H    1.800 . 6.000 3.024 2.139 4.632     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              36
    _Distance_constraint_stats_list.Viol_count                    720
    _Distance_constraint_stats_list.Viol_total                    898.361
    _Distance_constraint_stats_list.Viol_max                      0.254
    _Distance_constraint_stats_list.Viol_rms                      0.0429
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0624
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0624
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       .

    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1  10 ARG 1.708 0.064  2 0 "[    .    1    .    2]" 
       1  12 ALA 3.422 0.097 13 0 "[    .    1    .    2]" 
       1  24 SER 3.422 0.097 13 0 "[    .    1    .    2]" 
       1  25 ILE 4.746 0.176 18 0 "[    .    1    .    2]" 
       1  26 GLN 1.708 0.064  2 0 "[    .    1    .    2]" 
       1  54 ASP 4.746 0.176 18 0 "[    .    1    .    2]" 
       1  55 GLN 5.426 0.157 18 0 "[    .    1    .    2]" 
       1  57 VAL 2.545 0.210 14 0 "[    .    1    .    2]" 
       1  59 PHE 3.918 0.243 10 0 "[    .    1    .    2]" 
       1  62 TYR 3.918 0.243 10 0 "[    .    1    .    2]" 
       1  82 ALA 4.561 0.172 19 0 "[    .    1    .    2]" 
       1  84 ILE 2.837 0.091  6 0 "[    .    1    .    2]" 
       1  86 VAL 4.903 0.135 18 0 "[    .    1    .    2]" 
       1  87 VAL 2.545 0.210 14 0 "[    .    1    .    2]" 
       1  88 PHE 5.979 0.202  7 0 "[    .    1    .    2]" 
       1  89 SER 5.426 0.157 18 0 "[    .    1    .    2]" 
       1  90 ARG 4.872 0.254 20 0 "[    .    1    .    2]" 
       1  93 VAL 4.872 0.254 20 0 "[    .    1    .    2]" 
       1  95 MET 5.979 0.202  7 0 "[    .    1    .    2]" 
       1  97 ALA 4.903 0.135 18 0 "[    .    1    .    2]" 
       1  99 ILE 2.837 0.091  6 0 "[    .    1    .    2]" 
       1 101 VAL 4.561 0.172 19 0 "[    .    1    .    2]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

        1 1 10 ARG O 1  26 GLN H 2.500 2.500 2.500 2.537 2.492 2.561 0.061 19 0 "[    .    1    .    2]" 2 
        2 1 10 ARG O 1  26 GLN N 3.500 3.500 3.500 3.452 3.436 3.476 0.064  2 0 "[    .    1    .    2]" 2 
        3 1 12 ALA H 1  24 SER O 2.500 2.500 2.500 2.540 2.513 2.588 0.088 11 0 "[    .    1    .    2]" 2 
        4 1 12 ALA N 1  24 SER O 3.500 3.500 3.500 3.477 3.442 3.502 0.058  8 0 "[    .    1    .    2]" 2 
        5 1 12 ALA O 1  24 SER H 2.500 2.500 2.500 2.548 2.507 2.585 0.085 18 0 "[    .    1    .    2]" 2 
        6 1 12 ALA O 1  24 SER N 3.500 3.500 3.500 3.441 3.403 3.475 0.097 13 0 "[    .    1    .    2]" 2 
        7 1 82 ALA O 1 101 VAL H 2.500 2.500 2.500 2.574 2.520 2.635 0.135  9 0 "[    .    1    .    2]" 2 
        8 1 82 ALA O 1 101 VAL N 3.500 3.500 3.500 3.456 3.423 3.527 0.077  9 0 "[    .    1    .    2]" 2 
        9 1 82 ALA H 1 101 VAL O 2.500 2.500 2.500 2.517 2.456 2.607 0.107 10 0 "[    .    1    .    2]" 2 
       10 1 82 ALA N 1 101 VAL O 3.500 3.500 3.500 3.417 3.328 3.475 0.172 19 0 "[    .    1    .    2]" 2 
       11 1 84 ILE O 1  99 ILE H 2.500 2.500 2.500 2.535 2.503 2.579 0.079 17 0 "[    .    1    .    2]" 2 
       12 1 84 ILE O 1  99 ILE N 3.500 3.500 3.500 3.476 3.421 3.520 0.079 20 0 "[    .    1    .    2]" 2 
       13 1 84 ILE H 1  99 ILE O 2.500 2.500 2.500 2.525 2.503 2.558 0.058 15 0 "[    .    1    .    2]" 2 
       14 1 84 ILE N 1  99 ILE O 3.500 3.500 3.500 3.449 3.409 3.506 0.091  6 0 "[    .    1    .    2]" 2 
       15 1 86 VAL O 1  97 ALA H 2.500 2.500 2.500 2.523 2.482 2.563 0.063  4 0 "[    .    1    .    2]" 2 
       16 1 86 VAL O 1  97 ALA N 3.500 3.500 3.500 3.430 3.389 3.471 0.111 12 0 "[    .    1    .    2]" 2 
       17 1 86 VAL H 1  97 ALA O 2.500 2.500 2.500 2.598 2.563 2.635 0.135 18 0 "[    .    1    .    2]" 2 
       18 1 86 VAL N 1  97 ALA O 3.500 3.500 3.500 3.449 3.398 3.476 0.102 17 0 "[    .    1    .    2]" 2 
       19 1 88 PHE O 1  95 MET H 2.500 2.500 2.500 2.587 2.523 2.676 0.176  7 0 "[    .    1    .    2]" 2 
       20 1 88 PHE O 1  95 MET N 3.500 3.500 3.500 3.477 3.388 3.574 0.112 12 0 "[    .    1    .    2]" 2 
       21 1 88 PHE H 1  95 MET O 2.500 2.500 2.500 2.562 2.490 2.615 0.115 14 0 "[    .    1    .    2]" 2 
       22 1 88 PHE N 1  95 MET O 3.500 3.500 3.500 3.388 3.298 3.467 0.202  7 0 "[    .    1    .    2]" 2 
       23 1 90 ARG O 1  93 VAL H 2.500 2.500 2.500 2.571 2.551 2.617 0.117 20 0 "[    .    1    .    2]" 2 
       24 1 90 ARG O 1  93 VAL N 3.500 3.500 3.500 3.492 3.460 3.544 0.044 20 0 "[    .    1    .    2]" 2 
       25 1 90 ARG H 1  93 VAL O 2.500 2.500 2.500 2.493 2.412 2.530 0.088  7 0 "[    .    1    .    2]" 2 
       26 1 90 ARG N 1  93 VAL O 3.500 3.500 3.500 3.373 3.246 3.415 0.254 20 0 "[    .    1    .    2]" 2 
       27 1 55 GLN H 1  89 SER O 2.500 2.500 2.500 2.591 2.552 2.627 0.127  6 0 "[    .    1    .    2]" 2 
       28 1 55 GLN N 1  89 SER O 3.500 3.500 3.500 3.413 3.343 3.451 0.157 18 0 "[    .    1    .    2]" 2 
       29 1 55 GLN O 1  89 SER H 2.500 2.500 2.500 2.541 2.502 2.594 0.094 10 0 "[    .    1    .    2]" 2 
       30 1 55 GLN O 1  89 SER N 3.500 3.500 3.500 3.450 3.404 3.520 0.096 18 0 "[    .    1    .    2]" 2 
       31 1 57 VAL H 1  87 VAL O 2.500 2.500 2.500 2.562 2.510 2.614 0.114  2 0 "[    .    1    .    2]" 2 
       32 1 57 VAL N 1  87 VAL O 3.500 3.500 3.500 3.441 3.290 3.531 0.210 14 0 "[    .    1    .    2]" 2 
       33 1 25 ILE O 1  54 ASP H 2.500 2.500 2.500 2.632 2.589 2.676 0.176 18 0 "[    .    1    .    2]" 2 
       34 1 25 ILE O 1  54 ASP N 3.500 3.500 3.500 3.395 3.342 3.421 0.158 17 0 "[    .    1    .    2]" 2 
       35 1 59 PHE O 1  62 TYR H 2.500 2.500 2.500 2.601 2.475 2.743 0.243 10 0 "[    .    1    .    2]" 2 
       36 1 59 PHE O 1  62 TYR N 3.500 3.500 3.500 3.477 3.359 3.614 0.141  5 0 "[    .    1    .    2]" 2 
    stop_

save_



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