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
500952 2rre 11250 cing 4-filtered-FRED Wattos check violation distance


data_2rre


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              974
    _Distance_constraint_stats_list.Viol_count                    866
    _Distance_constraint_stats_list.Viol_total                    136.429
    _Distance_constraint_stats_list.Viol_max                      0.085
    _Distance_constraint_stats_list.Viol_rms                      0.0024
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0004
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0079
    _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  7 PRO 0.061 0.019  7 0 "[    .    1    .    2]" 
       1  8 ARG 0.061 0.019  7 0 "[    .    1    .    2]" 
       1 11 VAL 0.002 0.002  2 0 "[    .    1    .    2]" 
       1 12 PHE 0.071 0.027 14 0 "[    .    1    .    2]" 
       1 13 VAL 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 14 ASP 0.005 0.005  8 0 "[    .    1    .    2]" 
       1 15 ARG 0.147 0.027 14 0 "[    .    1    .    2]" 
       1 16 LYS 0.437 0.060  8 0 "[    .    1    .    2]" 
       1 17 LEU 0.292 0.060  8 0 "[    .    1    .    2]" 
       1 18 LYS 0.371 0.018 18 0 "[    .    1    .    2]" 
       1 19 GLN 0.146 0.014  5 0 "[    .    1    .    2]" 
       1 20 ARG 0.316 0.027  8 0 "[    .    1    .    2]" 
       1 21 VAL 0.978 0.035  3 0 "[    .    1    .    2]" 
       1 22 ILE 0.283 0.016  6 0 "[    .    1    .    2]" 
       1 23 GLN 0.027 0.010  6 0 "[    .    1    .    2]" 
       1 24 TYR 0.105 0.010  9 0 "[    .    1    .    2]" 
       1 25 LEU 1.183 0.043 14 0 "[    .    1    .    2]" 
       1 26 SER 0.018 0.007 14 0 "[    .    1    .    2]" 
       1 27 SER 0.003 0.003  1 0 "[    .    1    .    2]" 
       1 28 ASN 0.022 0.005  4 0 "[    .    1    .    2]" 
       1 29 ARG 0.018 0.006 19 0 "[    .    1    .    2]" 
       1 30 CYS 0.020 0.007  7 0 "[    .    1    .    2]" 
       1 31 GLY 0.008 0.005 13 0 "[    .    1    .    2]" 
       1 32 LYS 0.007 0.007  1 0 "[    .    1    .    2]" 
       1 33 TYR 0.067 0.012 17 0 "[    .    1    .    2]" 
       1 34 VAL 0.183 0.013 10 0 "[    .    1    .    2]" 
       1 35 ASP 0.115 0.013 18 0 "[    .    1    .    2]" 
       1 36 THR 0.037 0.007 16 0 "[    .    1    .    2]" 
       1 37 GLY 0.019 0.007 13 0 "[    .    1    .    2]" 
       1 38 ILE 0.160 0.013 18 0 "[    .    1    .    2]" 
       1 39 LEU 0.222 0.015  8 0 "[    .    1    .    2]" 
       1 40 ALA 0.024 0.007 12 0 "[    .    1    .    2]" 
       1 41 SER 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 42 ASP 0.055 0.016 16 0 "[    .    1    .    2]" 
       1 43 LEU 0.351 0.014  8 0 "[    .    1    .    2]" 
       1 44 GLN 0.028 0.008  8 0 "[    .    1    .    2]" 
       1 45 ARG 0.011 0.005 20 0 "[    .    1    .    2]" 
       1 46 LEU 0.151 0.020  4 0 "[    .    1    .    2]" 
       1 47 TYR 0.303 0.020  4 0 "[    .    1    .    2]" 
       1 48 SER 0.041 0.010  9 0 "[    .    1    .    2]" 
       1 49 VAL 0.051 0.014 19 0 "[    .    1    .    2]" 
       1 50 ASP 0.097 0.014 19 0 "[    .    1    .    2]" 
       1 51 TYR 0.082 0.022  8 0 "[    .    1    .    2]" 
       1 52 GLY 0.013 0.008  8 0 "[    .    1    .    2]" 
       1 53 ARG 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 54 ARG 0.027 0.020  4 0 "[    .    1    .    2]" 
       1 55 LYS 0.176 0.028 13 0 "[    .    1    .    2]" 
       1 57 ASN 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 58 ALA 0.120 0.028 13 0 "[    .    1    .    2]" 
       1 59 PHE 0.147 0.022  8 0 "[    .    1    .    2]" 
       1 60 ARG 0.089 0.012 18 0 "[    .    1    .    2]" 
       1 61 ILE 0.105 0.010 13 0 "[    .    1    .    2]" 
       1 62 GLN 0.010 0.005  8 0 "[    .    1    .    2]" 
       1 63 VAL 0.140 0.015  3 0 "[    .    1    .    2]" 
       1 64 GLU 0.039 0.012 18 0 "[    .    1    .    2]" 
       1 65 LYS 0.061 0.008 20 0 "[    .    1    .    2]" 
       1 66 VAL 1.036 0.032 17 0 "[    .    1    .    2]" 
       1 67 PHE 0.105 0.011 10 0 "[    .    1    .    2]" 
       1 68 SER 0.578 0.038 15 0 "[    .    1    .    2]" 
       1 69 ILE 1.713 0.040  2 0 "[    .    1    .    2]" 
       1 70 ILE 1.028 0.045  9 0 "[    .    1    .    2]" 
       1 71 SER 0.154 0.015 17 0 "[    .    1    .    2]" 
       1 72 SER 0.113 0.015 17 0 "[    .    1    .    2]" 
       1 73 GLU 0.543 0.085  7 0 "[    .    1    .    2]" 
       1 74 LYS 0.288 0.045  9 0 "[    .    1    .    2]" 
       1 75 GLU 0.036 0.008  4 0 "[    .    1    .    2]" 
       1 76 LEU 0.003 0.003 20 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 15 ARG HA   1 18 LYS HB3  . . 3.840 3.627 3.388 3.844 0.004  6 0 "[    .    1    .    2]" 1 
         2 1 15 ARG HA   1 18 LYS HB2  . . 4.750 3.719 3.514 3.910     .  0 0 "[    .    1    .    2]" 1 
         3 1 15 ARG HA   1 19 GLN QB   . . 5.210 4.988 4.710 5.216 0.006 17 0 "[    .    1    .    2]" 1 
         4 1 15 ARG QB   1 19 GLN QB   . . 4.530 4.295 3.947 4.522     .  0 0 "[    .    1    .    2]" 1 
         5 1 18 LYS HA   1 70 ILE QG   . . 5.500 5.270 5.208 5.351     .  0 0 "[    .    1    .    2]" 1 
         6 1 18 LYS HG3  1 70 ILE QG   . . 5.010 4.667 4.598 4.729     .  0 0 "[    .    1    .    2]" 1 
         7 1 18 LYS HG3  1 74 LYS QD   . . 5.440 5.052 4.560 5.329     .  0 0 "[    .    1    .    2]" 1 
         8 1 18 LYS HG2  1 74 LYS QD   . . 4.560 4.354 3.842 4.563 0.003 16 0 "[    .    1    .    2]" 1 
         9 1 16 LYS HA   1 19 GLN QB   . . 3.270 2.529 2.380 2.605     .  0 0 "[    .    1    .    2]" 1 
        10 1 19 GLN HG3  1 20 ARG HA   . . 4.560 4.149 3.860 4.448     .  0 0 "[    .    1    .    2]" 1 
        11 1 16 LYS HA   1 19 GLN HG2  . . 4.440 4.335 4.191 4.445 0.005  9 0 "[    .    1    .    2]" 1 
        12 1 15 ARG QB   1 16 LYS HA   . . 4.250 3.917 3.814 4.065     .  0 0 "[    .    1    .    2]" 1 
        13 1 16 LYS HA   1 20 ARG HB2  . . 4.490 3.892 3.734 4.056     .  0 0 "[    .    1    .    2]" 1 
        14 1 16 LYS HA   1 20 ARG HB3  . . 5.500 5.261 4.886 5.471     .  0 0 "[    .    1    .    2]" 1 
        15 1 19 GLN HA   1 22 ILE HG12 . . 4.790 1.982 1.968 2.032     .  0 0 "[    .    1    .    2]" 1 
        16 1 19 GLN QB   1 22 ILE HG12 . . 4.560 4.048 4.025 4.086     .  0 0 "[    .    1    .    2]" 1 
        17 1 22 ILE HG12 1 23 GLN QB   . . 4.930 4.285 4.122 4.430     .  0 0 "[    .    1    .    2]" 1 
        18 1 19 GLN HG3  1 22 ILE HG12 . . 4.420 3.723 3.598 3.893     .  0 0 "[    .    1    .    2]" 1 
        19 1 20 ARG HA   1 22 ILE HG12 . . 4.920 4.701 4.655 4.769     .  0 0 "[    .    1    .    2]" 1 
        20 1 17 LEU HA   1 20 ARG HB2  . . 4.070 3.808 3.658 3.971     .  0 0 "[    .    1    .    2]" 1 
        21 1 17 LEU HA   1 20 ARG HB3  . . 4.350 3.339 3.108 3.660     .  0 0 "[    .    1    .    2]" 1 
        22 1 17 LEU HA   1 43 LEU MD1  . . 5.260 4.923 4.590 5.127     .  0 0 "[    .    1    .    2]" 1 
        23 1 20 ARG HA   1 43 LEU MD1  . . 5.500 5.170 4.961 5.277     .  0 0 "[    .    1    .    2]" 1 
        24 1 66 VAL MG1  1 67 PHE HA   . . 4.430 3.332 3.247 3.392     .  0 0 "[    .    1    .    2]" 1 
        25 1 17 LEU HG   1 66 VAL MG2  . . 3.470 2.836 2.479 3.240     .  0 0 "[    .    1    .    2]" 1 
        26 1 17 LEU HA   1 17 LEU MD2  . . 3.400 2.062 1.970 2.289     .  0 0 "[    .    1    .    2]" 1 
        27 1 17 LEU MD2  1 21 VAL MG2  . . 3.820 3.560 3.445 3.663     .  0 0 "[    .    1    .    2]" 1 
        28 1 17 LEU MD2  1 43 LEU HB3  . . 4.880 3.795 3.274 4.106     .  0 0 "[    .    1    .    2]" 1 
        29 1 17 LEU MD2  1 51 TYR QB   . . 5.410 4.461 3.961 5.051     .  0 0 "[    .    1    .    2]" 1 
        30 1 17 LEU MD2  1 43 LEU HB2  . . 5.110 4.570 4.095 4.919     .  0 0 "[    .    1    .    2]" 1 
        31 1 17 LEU MD2  1 43 LEU HG   . . 4.130 3.802 3.634 4.031     .  0 0 "[    .    1    .    2]" 1 
        32 1 17 LEU MD2  1 43 LEU MD1  . . 4.460 4.291 4.083 4.438     .  0 0 "[    .    1    .    2]" 1 
        33 1 17 LEU MD2  1 51 TYR QE   . . 4.270 2.719 1.831 3.261     .  0 0 "[    .    1    .    2]" 1 
        34 1 17 LEU MD2  1 51 TYR QD   . . 4.060 3.630 2.729 4.054     .  0 0 "[    .    1    .    2]" 1 
        35 1 17 LEU MD2  1 59 PHE QE   . . 3.900 2.258 1.868 2.782     .  0 0 "[    .    1    .    2]" 1 
        36 1 17 LEU MD2  1 62 GLN QB   . . 4.410 3.252 2.788 3.776     .  0 0 "[    .    1    .    2]" 1 
        37 1 17 LEU MD2  1 63 VAL MG1  . . 3.980 3.854 3.112 3.985 0.005 12 0 "[    .    1    .    2]" 1 
        38 1 17 LEU MD2  1 63 VAL MG2  . . 3.980 2.472 1.898 3.682     .  0 0 "[    .    1    .    2]" 1 
        39 1 17 LEU MD2  1 66 VAL MG1  . . 4.480 4.215 4.158 4.296     .  0 0 "[    .    1    .    2]" 1 
        40 1 43 LEU MD2  1 70 ILE MD   . . 5.500 5.503 5.440 5.513 0.013 14 0 "[    .    1    .    2]" 1 
        41 1 17 LEU MD1  1 70 ILE MD   . . 4.600 4.586 4.472 4.621 0.021 18 0 "[    .    1    .    2]" 1 
        42 1 17 LEU MD1  1 21 VAL MG1  . . 3.880 3.727 3.578 3.799     .  0 0 "[    .    1    .    2]" 1 
        43 1 17 LEU MD1  1 43 LEU HG   . . 4.530 4.258 4.094 4.391     .  0 0 "[    .    1    .    2]" 1 
        44 1 17 LEU MD1  1 43 LEU MD2  . . 2.990 1.976 1.850 2.100     .  0 0 "[    .    1    .    2]" 1 
        45 1 17 LEU MD1  1 43 LEU MD1  . . 3.950 3.792 3.588 3.945     .  0 0 "[    .    1    .    2]" 1 
        46 1 17 LEU MD1  1 59 PHE QE   . . 4.430 4.207 3.912 4.436 0.006  4 0 "[    .    1    .    2]" 1 
        47 1 17 LEU MD1  1 62 GLN QB   . . 4.440 3.900 3.482 4.438     .  0 0 "[    .    1    .    2]" 1 
        48 1 17 LEU MD2  1 63 VAL HA   . . 4.370 3.911 3.522 4.086     .  0 0 "[    .    1    .    2]" 1 
        49 1 43 LEU MD2  1 63 VAL HA   . . 5.010 4.395 4.002 4.693     .  0 0 "[    .    1    .    2]" 1 
        50 1 17 LEU MD1  1 63 VAL HA   . . 3.800 2.174 1.924 2.456     .  0 0 "[    .    1    .    2]" 1 
        51 1 17 LEU MD1  1 63 VAL MG1  . . 3.780 2.556 1.912 3.615     .  0 0 "[    .    1    .    2]" 1 
        52 1 17 LEU MD1  1 63 VAL MG2  . . 3.780 2.194 1.891 2.420     .  0 0 "[    .    1    .    2]" 1 
        53 1 43 LEU MD2  1 66 VAL MG1  . . 5.170 4.120 4.004 4.240     .  0 0 "[    .    1    .    2]" 1 
        54 1 17 LEU MD1  1 66 VAL MG1  . . 3.140 1.913 1.838 2.069     .  0 0 "[    .    1    .    2]" 1 
        55 1 17 LEU MD1  1 21 VAL MG2  . . 3.680 1.887 1.788 1.969     .  0 0 "[    .    1    .    2]" 1 
        56 1 18 LYS HA   1 21 VAL MG1  . . 4.170 3.817 3.693 3.903     .  0 0 "[    .    1    .    2]" 1 
        57 1 18 LYS HA   1 69 ILE MG   . . 4.670 4.271 4.154 4.351     .  0 0 "[    .    1    .    2]" 1 
        58 1 18 LYS HA   1 22 ILE MG   . . 3.670 3.459 3.368 3.602     .  0 0 "[    .    1    .    2]" 1 
        59 1 18 LYS HA   1 66 VAL MG2  . . 3.260 3.266 3.235 3.278 0.018 18 0 "[    .    1    .    2]" 1 
        60 1 18 LYS HA   1 70 ILE MD   . . 4.500 4.292 4.216 4.371     .  0 0 "[    .    1    .    2]" 1 
        61 1 18 LYS HB3  1 22 ILE MD   . . 4.930 4.372 4.054 4.670     .  0 0 "[    .    1    .    2]" 1 
        62 1 18 LYS HB3  1 69 ILE MG   . . 5.320 4.599 4.525 4.683     .  0 0 "[    .    1    .    2]" 1 
        63 1 18 LYS QD   1 22 ILE MD   . . 4.500 4.273 3.898 4.505 0.005  7 0 "[    .    1    .    2]" 1 
        64 1 65 LYS QB   1 66 VAL HA   . . 3.930 3.861 3.816 3.895     .  0 0 "[    .    1    .    2]" 1 
        65 1 18 LYS HB3  1 66 VAL MG1  . . 4.060 3.854 3.734 3.923     .  0 0 "[    .    1    .    2]" 1 
        66 1 18 LYS HB3  1 66 VAL MG2  . . 5.070 4.091 3.850 4.250     .  0 0 "[    .    1    .    2]" 1 
        67 1 65 LYS QB   1 66 VAL MG2  . . 5.330 3.533 3.401 3.622     .  0 0 "[    .    1    .    2]" 1 
        68 1 18 LYS HB2  1 69 ILE MG   . . 4.670 3.600 3.456 3.832     .  0 0 "[    .    1    .    2]" 1 
        69 1 18 LYS HG2  1 21 VAL MG1  . . 4.820 4.717 4.499 4.824 0.004  8 0 "[    .    1    .    2]" 1 
        70 1 18 LYS HG3  1 21 VAL MG1  . . 5.150 5.088 4.962 5.155 0.005  8 0 "[    .    1    .    2]" 1 
        71 1 18 LYS HG3  1 66 VAL MG2  . . 3.900 3.660 3.255 3.901 0.001 18 0 "[    .    1    .    2]" 1 
        72 1 18 LYS HG2  1 22 ILE MG   . . 3.940 2.236 2.040 2.374     .  0 0 "[    .    1    .    2]" 1 
        73 1 18 LYS HG3  1 22 ILE MG   . . 3.640 3.581 3.397 3.645 0.005 17 0 "[    .    1    .    2]" 1 
        74 1 18 LYS HG2  1 22 ILE MD   . . 3.990 3.501 3.262 3.732     .  0 0 "[    .    1    .    2]" 1 
        75 1 18 LYS HG3  1 66 VAL MG1  . . 3.310 2.583 2.270 2.781     .  0 0 "[    .    1    .    2]" 1 
        76 1 17 LEU HG   1 66 VAL MG1  . . 3.890 3.729 3.663 3.800     .  0 0 "[    .    1    .    2]" 1 
        77 1 18 LYS HG2  1 66 VAL MG1  . . 4.120 3.391 3.257 3.526     .  0 0 "[    .    1    .    2]" 1 
        78 1 18 LYS HG3  1 70 ILE MG   . . 4.250 1.925 1.902 1.985     .  0 0 "[    .    1    .    2]" 1 
        79 1 18 LYS HG3  1 69 ILE MG   . . 3.950 2.372 2.265 2.490     .  0 0 "[    .    1    .    2]" 1 
        80 1 18 LYS HG3  1 70 ILE MD   . . 4.800 4.726 4.591 4.805 0.005 10 0 "[    .    1    .    2]" 1 
        81 1 18 LYS HG2  1 69 ILE MG   . . 4.450 3.697 3.573 3.893     .  0 0 "[    .    1    .    2]" 1 
        82 1 18 LYS HG2  1 70 ILE MD   . . 4.970 4.715 4.615 4.818     .  0 0 "[    .    1    .    2]" 1 
        83 1 18 LYS HB2  1 66 VAL MG1  . . 4.080 2.797 2.611 2.904     .  0 0 "[    .    1    .    2]" 1 
        84 1 18 LYS HB2  1 66 VAL MG2  . . 4.400 2.639 2.346 2.805     .  0 0 "[    .    1    .    2]" 1 
        85 1 69 ILE HA   1 69 ILE QG   . . 3.910 2.221 2.175 2.279     .  0 0 "[    .    1    .    2]" 1 
        86 1 18 LYS QD   1 69 ILE MG   . . 3.720 2.747 2.347 3.039     .  0 0 "[    .    1    .    2]" 1 
        87 1 18 LYS QD   1 70 ILE HA   . . 3.890 3.430 3.157 3.667     .  0 0 "[    .    1    .    2]" 1 
        88 1 18 LYS HB2  1 70 ILE MG   . . 3.840 3.600 3.407 3.783     .  0 0 "[    .    1    .    2]" 1 
        89 1 18 LYS QD   1 70 ILE MG   . . 4.000 3.109 2.948 3.193     .  0 0 "[    .    1    .    2]" 1 
        90 1 18 LYS QD   1 74 LYS QD   . . 3.590 3.531 3.207 3.596 0.006 17 0 "[    .    1    .    2]" 1 
        91 1 18 LYS QD   1 74 LYS QE   . . 4.040 3.568 2.063 4.043 0.003 16 0 "[    .    1    .    2]" 1 
        92 1 18 LYS HE2  1 22 ILE MD   . . 4.070 2.961 2.280 3.932     .  0 0 "[    .    1    .    2]" 1 
        93 1 18 LYS HE3  1 22 ILE MD   . . 4.070 3.053 1.977 3.899     .  0 0 "[    .    1    .    2]" 1 
        94 1 18 LYS HE2  1 74 LYS QE   . . 4.010 3.228 2.053 3.974     .  0 0 "[    .    1    .    2]" 1 
        95 1 18 LYS HE3  1 74 LYS QE   . . 4.010 2.515 2.077 3.288     .  0 0 "[    .    1    .    2]" 1 
        96 1 19 GLN HA   1 22 ILE MG   . . 3.780 3.250 3.193 3.352     .  0 0 "[    .    1    .    2]" 1 
        97 1 19 GLN HA   1 22 ILE MD   . . 3.630 2.058 1.946 2.206     .  0 0 "[    .    1    .    2]" 1 
        98 1 19 GLN HA   1 20 ARG HA   . . 4.820 4.763 4.752 4.774     .  0 0 "[    .    1    .    2]" 1 
        99 1 19 GLN HA   1 23 GLN QG   . . 4.540 3.882 3.661 4.183     .  0 0 "[    .    1    .    2]" 1 
       100 1 22 ILE HA   1 25 LEU HG   . . 4.730 3.646 3.600 3.684     .  0 0 "[    .    1    .    2]" 1 
       101 1 21 VAL HB   1 22 ILE MG   . . 4.090 3.507 3.333 3.615     .  0 0 "[    .    1    .    2]" 1 
       102 1 19 GLN QB   1 22 ILE MG   . . 5.020 4.797 4.729 4.900     .  0 0 "[    .    1    .    2]" 1 
       103 1 19 GLN QB   1 22 ILE MD   . . 4.370 3.533 3.381 3.708     .  0 0 "[    .    1    .    2]" 1 
       104 1 19 GLN HG3  1 22 ILE MG   . . 5.490 5.278 5.131 5.482     .  0 0 "[    .    1    .    2]" 1 
       105 1 19 GLN HG2  1 20 ARG HA   . . 5.430 4.648 3.946 5.092     .  0 0 "[    .    1    .    2]" 1 
       106 1 19 GLN HG3  1 23 GLN QG   . . 2.860 2.727 2.521 2.870 0.010  6 0 "[    .    1    .    2]" 1 
       107 1 20 ARG HA   1 23 GLN QB   . . 3.450 2.794 2.653 2.946     .  0 0 "[    .    1    .    2]" 1 
       108 1 20 ARG HA   1 23 GLN QG   . . 4.070 3.610 3.263 3.903     .  0 0 "[    .    1    .    2]" 1 
       109 1 19 GLN QB   1 20 ARG HB2  . . 4.100 3.913 3.840 4.021     .  0 0 "[    .    1    .    2]" 1 
       110 1 67 PHE HA   1 70 ILE HB   . . 4.980 4.808 4.720 4.894     .  0 0 "[    .    1    .    2]" 1 
       111 1 20 ARG HB2  1 43 LEU MD2  . . 4.670 4.384 3.868 4.678 0.008  8 0 "[    .    1    .    2]" 1 
       112 1 20 ARG HB2  1 43 LEU MD1  . . 4.930 4.861 4.571 4.936 0.006  2 0 "[    .    1    .    2]" 1 
       113 1 21 VAL HA   1 24 TYR HB2  . . 4.350 2.425 2.282 2.561     .  0 0 "[    .    1    .    2]" 1 
       114 1 21 VAL HA   1 24 TYR HB3  . . 4.650 3.844 3.609 4.123     .  0 0 "[    .    1    .    2]" 1 
       115 1 21 VAL HA   1 25 LEU MD2  . . 4.630 4.422 4.369 4.493     .  0 0 "[    .    1    .    2]" 1 
       116 1 21 VAL HA   1 25 LEU MD1  . . 3.720 3.727 3.713 3.737 0.017 16 0 "[    .    1    .    2]" 1 
       117 1 21 VAL HA   1 39 LEU MD1  . . 4.130 3.817 3.650 4.057     .  0 0 "[    .    1    .    2]" 1 
       118 1 21 VAL HA   1 39 LEU MD2  . . 4.130 3.836 3.459 4.136 0.006  1 0 "[    .    1    .    2]" 1 
       119 1 21 VAL HA   1 43 LEU MD2  . . 4.390 3.683 3.398 3.907     .  0 0 "[    .    1    .    2]" 1 
       120 1 21 VAL HA   1 43 LEU MD1  . . 3.820 2.987 2.823 3.147     .  0 0 "[    .    1    .    2]" 1 
       121 1 21 VAL HA   1 66 VAL MG1  . . 5.250 5.038 4.948 5.159     .  0 0 "[    .    1    .    2]" 1 
       122 1 21 VAL HA   1 21 VAL MG2  . . 3.120 2.266 2.180 2.295     .  0 0 "[    .    1    .    2]" 1 
       123 1 21 VAL HA   1 70 ILE MD   . . 4.950 4.792 4.731 4.848     .  0 0 "[    .    1    .    2]" 1 
       124 1 21 VAL MG1  1 25 LEU HB2  . . 4.440 4.318 4.143 4.411     .  0 0 "[    .    1    .    2]" 1 
       125 1 21 VAL MG1  1 70 ILE QG   . . 3.520 3.511 3.465 3.533 0.013  6 0 "[    .    1    .    2]" 1 
       126 1 21 VAL MG1  1 25 LEU HB3  . . 4.680 4.637 4.537 4.683 0.003 19 0 "[    .    1    .    2]" 1 
       127 1 21 VAL MG1  1 25 LEU MD1  . . 2.820 1.749 1.707 1.771     .  0 0 "[    .    1    .    2]" 1 
       128 1 21 VAL MG1  1 39 LEU MD1  . . 3.470 2.651 1.864 3.330     .  0 0 "[    .    1    .    2]" 1 
       129 1 21 VAL MG1  1 43 LEU MD2  . . 4.370 3.983 3.880 4.072     .  0 0 "[    .    1    .    2]" 1 
       130 1 21 VAL MG2  1 43 LEU MD2  . . 3.030 1.870 1.746 1.980     .  0 0 "[    .    1    .    2]" 1 
       131 1 21 VAL MG1  1 67 PHE HA   . . 4.330 3.364 3.228 3.440     .  0 0 "[    .    1    .    2]" 1 
       132 1 21 VAL MG1  1 24 TYR HB3  . . 5.260 4.547 4.291 4.851     .  0 0 "[    .    1    .    2]" 1 
       133 1 21 VAL MG1  1 67 PHE HB2  . . 5.500 4.304 4.178 4.434     .  0 0 "[    .    1    .    2]" 1 
       134 1 21 VAL MG2  1 67 PHE HB2  . . 4.780 4.776 4.707 4.791 0.011 10 0 "[    .    1    .    2]" 1 
       135 1 21 VAL MG1  1 67 PHE QE   . . 4.680 4.333 3.745 4.681 0.001 10 0 "[    .    1    .    2]" 1 
       136 1 21 VAL MG1  1 67 PHE QD   . . 4.390 3.174 2.683 3.490     .  0 0 "[    .    1    .    2]" 1 
       137 1 21 VAL MG1  1 70 ILE MG   . . 3.360 2.444 2.390 2.495     .  0 0 "[    .    1    .    2]" 1 
       138 1 21 VAL MG2  1 70 ILE MG   . . 4.190 3.786 3.656 3.855     .  0 0 "[    .    1    .    2]" 1 
       139 1 66 VAL MG2  1 70 ILE MG   . . 4.780 3.860 3.750 3.933     .  0 0 "[    .    1    .    2]" 1 
       140 1 21 VAL MG1  1 70 ILE MD   . . 2.890 1.717 1.687 1.742     .  0 0 "[    .    1    .    2]" 1 
       141 1 21 VAL MG2  1 24 TYR HB2  . . 5.030 4.122 4.030 4.236     .  0 0 "[    .    1    .    2]" 1 
       142 1 24 TYR HB2  1 25 LEU MD1  . . 5.410 4.361 4.210 4.649     .  0 0 "[    .    1    .    2]" 1 
       143 1 24 TYR HB3  1 25 LEU MD1  . . 5.500 4.908 4.639 5.163     .  0 0 "[    .    1    .    2]" 1 
       144 1 21 VAL MG1  1 25 LEU HG   . . 3.900 2.521 2.414 2.570     .  0 0 "[    .    1    .    2]" 1 
       145 1 21 VAL MG1  1 25 LEU MD2  . . 2.550 2.423 2.367 2.516     .  0 0 "[    .    1    .    2]" 1 
       146 1 21 VAL MG1  1 39 LEU HG   . . 4.440 4.124 3.931 4.392     .  0 0 "[    .    1    .    2]" 1 
       147 1 21 VAL MG2  1 39 LEU HG   . . 4.040 3.392 2.795 4.047 0.007 10 0 "[    .    1    .    2]" 1 
       148 1 21 VAL MG2  1 39 LEU MD1  . . 3.340 2.434 1.927 3.120     .  0 0 "[    .    1    .    2]" 1 
       149 1 21 VAL MG1  1 39 LEU MD2  . . 3.470 2.518 1.891 3.385     .  0 0 "[    .    1    .    2]" 1 
       150 1 21 VAL MG2  1 39 LEU MD2  . . 3.340 1.981 1.850 2.269     .  0 0 "[    .    1    .    2]" 1 
       151 1 21 VAL MG2  1 43 LEU HB3  . . 4.750 4.645 4.498 4.759 0.009 16 0 "[    .    1    .    2]" 1 
       152 1 21 VAL MG2  1 43 LEU MD1  . . 2.550 2.449 2.079 2.558 0.008  1 0 "[    .    1    .    2]" 1 
       153 1 66 VAL HA   1 66 VAL MG2  . . 3.350 2.112 2.060 2.260     .  0 0 "[    .    1    .    2]" 1 
       154 1 21 VAL MG1  1 66 VAL MG1  . . 3.000 2.894 2.773 3.003 0.003  7 0 "[    .    1    .    2]" 1 
       155 1 17 LEU HA   1 21 VAL MG2  . . 3.880 3.458 3.325 3.592     .  0 0 "[    .    1    .    2]" 1 
       156 1 21 VAL MG2  1 67 PHE HA   . . 5.000 4.589 4.531 4.674     .  0 0 "[    .    1    .    2]" 1 
       157 1 25 LEU MD1  1 67 PHE HA   . . 5.440 4.553 4.244 4.743     .  0 0 "[    .    1    .    2]" 1 
       158 1 21 VAL MG2  1 24 TYR HB3  . . 5.500 5.003 4.813 5.217     .  0 0 "[    .    1    .    2]" 1 
       159 1 21 VAL MG2  1 67 PHE QD   . . 4.510 4.325 3.979 4.509     .  0 0 "[    .    1    .    2]" 1 
       160 1 21 VAL MG2  1 70 ILE QG   . . 5.500 5.192 5.127 5.261     .  0 0 "[    .    1    .    2]" 1 
       161 1 66 VAL MG2  1 70 ILE QG   . . 5.500 5.487 5.447 5.505 0.005 16 0 "[    .    1    .    2]" 1 
       162 1 66 VAL MG2  1 69 ILE MD   . . 4.290 4.211 4.099 4.275     .  0 0 "[    .    1    .    2]" 1 
       163 1 22 ILE HA   1 25 LEU HB2  . . 4.320 3.400 3.165 3.553     .  0 0 "[    .    1    .    2]" 1 
       164 1 22 ILE HA   1 25 LEU MD2  . . 4.490 4.435 4.374 4.506 0.016  6 0 "[    .    1    .    2]" 1 
       165 1 22 ILE HA   1 25 LEU MD1  . . 3.670 1.871 1.822 1.920     .  0 0 "[    .    1    .    2]" 1 
       166 1 22 ILE HA   1 70 ILE MG   . . 4.350 3.943 3.870 3.993     .  0 0 "[    .    1    .    2]" 1 
       167 1 22 ILE HA   1 25 LEU HB3  . . 5.440 4.889 4.717 5.010     .  0 0 "[    .    1    .    2]" 1 
       168 1 22 ILE HA   1 70 ILE QG   . . 5.500 5.245 5.104 5.386     .  0 0 "[    .    1    .    2]" 1 
       169 1 22 ILE HA   1 70 ILE MD   . . 3.570 3.505 3.315 3.576 0.006 10 0 "[    .    1    .    2]" 1 
       170 1 22 ILE HA   1 74 LYS QE   . . 5.130 4.744 4.259 5.109     .  0 0 "[    .    1    .    2]" 1 
       171 1 22 ILE MG   1 25 LEU HB2  . . 5.280 5.007 4.810 5.167     .  0 0 "[    .    1    .    2]" 1 
       172 1 22 ILE MG   1 70 ILE MG   . . 2.980 1.859 1.824 1.914     .  0 0 "[    .    1    .    2]" 1 
       173 1 22 ILE MD   1 22 ILE MG   . . 2.400 2.057 1.883 2.192     .  0 0 "[    .    1    .    2]" 1 
       174 1 22 ILE HG12 1 22 ILE MG   . . 3.030 2.296 2.223 2.384     .  0 0 "[    .    1    .    2]" 1 
       175 1 22 ILE MG   1 74 LYS QG   . . 4.630 2.319 1.935 3.242     .  0 0 "[    .    1    .    2]" 1 
       176 1 22 ILE MG   1 74 LYS QD   . . 4.000 3.046 1.967 3.613     .  0 0 "[    .    1    .    2]" 1 
       177 1 21 VAL MG2  1 25 LEU HG   . . 4.740 4.560 4.452 4.632     .  0 0 "[    .    1    .    2]" 1 
       178 1 21 VAL MG2  1 25 LEU MD2  . . 4.020 4.048 4.035 4.055 0.035  3 0 "[    .    1    .    2]" 1 
       179 1 22 ILE MG   1 25 LEU MD1  . . 3.000 2.900 2.844 3.005 0.005  4 0 "[    .    1    .    2]" 1 
       180 1 22 ILE MG   1 70 ILE HA   . . 3.760 3.286 3.161 3.424     .  0 0 "[    .    1    .    2]" 1 
       181 1 22 ILE MG   1 70 ILE MD   . . 3.020 2.979 2.754 3.026 0.006 17 0 "[    .    1    .    2]" 1 
       182 1 18 LYS HA   1 22 ILE MD   . . 5.370 5.005 4.821 5.168     .  0 0 "[    .    1    .    2]" 1 
       183 1 22 ILE MD   1 70 ILE HA   . . 5.500 5.330 5.136 5.501 0.001  5 0 "[    .    1    .    2]" 1 
       184 1 69 ILE MG   1 70 ILE HA   . . 3.550 2.995 2.955 3.031     .  0 0 "[    .    1    .    2]" 1 
       185 1 69 ILE MG   1 70 ILE MG   . . 2.770 2.254 2.194 2.305     .  0 0 "[    .    1    .    2]" 1 
       186 1 70 ILE MD   1 70 ILE MG   . . 2.880 1.942 1.866 2.022     .  0 0 "[    .    1    .    2]" 1 
       187 1 22 ILE MD   1 74 LYS QD   . . 4.400 3.677 3.383 4.062     .  0 0 "[    .    1    .    2]" 1 
       188 1 22 ILE MD   1 74 LYS QE   . . 4.200 1.955 1.731 2.355     .  0 0 "[    .    1    .    2]" 1 
       189 1 23 GLN HA   1 26 SER QB   . . 3.570 2.853 2.582 3.320     .  0 0 "[    .    1    .    2]" 1 
       190 1 23 GLN QB   1 26 SER QB   . . 5.240 4.590 4.357 5.114     .  0 0 "[    .    1    .    2]" 1 
       191 1 23 GLN QG   1 26 SER QB   . . 4.640 4.416 4.195 4.647 0.007 14 0 "[    .    1    .    2]" 1 
       192 1 24 TYR HB3  1 30 CYS HB3  . . 4.450 4.206 3.482 4.457 0.007  7 0 "[    .    1    .    2]" 1 
       193 1 24 TYR HB3  1 30 CYS HB2  . . 4.450 3.687 3.085 4.091     .  0 0 "[    .    1    .    2]" 1 
       194 1 24 TYR HB2  1 43 LEU MD1  . . 4.720 3.611 3.457 3.765     .  0 0 "[    .    1    .    2]" 1 
       195 1 24 TYR HB3  1 43 LEU MD1  . . 4.520 4.078 3.911 4.267     .  0 0 "[    .    1    .    2]" 1 
       196 1 24 TYR QD   1 43 LEU MD1  . . 3.950 2.129 1.924 2.834     .  0 0 "[    .    1    .    2]" 1 
       197 1 24 TYR QE   1 43 LEU MD1  . . 4.370 2.320 2.026 2.880     .  0 0 "[    .    1    .    2]" 1 
       198 1 24 TYR QE   1 47 TYR QE   . . 3.930 2.668 1.983 3.706     .  0 0 "[    .    1    .    2]" 1 
       199 1 24 TYR QD   1 43 LEU MD2  . . 4.940 4.016 3.642 4.941 0.001 17 0 "[    .    1    .    2]" 1 
       200 1 24 TYR QE   1 43 LEU MD2  . . 5.420 4.577 4.140 5.183     .  0 0 "[    .    1    .    2]" 1 
       201 1 24 TYR QE   1 46 LEU MD2  . . 4.470 2.939 1.928 3.595     .  0 0 "[    .    1    .    2]" 1 
       202 1 25 LEU HA   1 29 ARG HA   . . 3.630 3.589 3.468 3.636 0.006 19 0 "[    .    1    .    2]" 1 
       203 1 25 LEU HB3  1 29 ARG HA   . . 4.670 4.365 4.179 4.568     .  0 0 "[    .    1    .    2]" 1 
       204 1 21 VAL HB   1 70 ILE MD   . . 3.900 3.413 3.293 3.547     .  0 0 "[    .    1    .    2]" 1 
       205 1 25 LEU MD2  1 70 ILE MG   . . 4.920 4.934 4.920 4.963 0.043 14 0 "[    .    1    .    2]" 1 
       206 1 25 LEU MD1  1 67 PHE QD   . . 4.630 4.191 3.413 4.628     .  0 0 "[    .    1    .    2]" 1 
       207 1 25 LEU MD1  1 70 ILE MG   . . 3.540 3.417 3.286 3.497     .  0 0 "[    .    1    .    2]" 1 
       208 1 25 LEU MD2  1 70 ILE QG   . . 4.700 4.519 4.437 4.615     .  0 0 "[    .    1    .    2]" 1 
       209 1 25 LEU MD1  1 70 ILE QG   . . 4.310 3.428 3.342 3.503     .  0 0 "[    .    1    .    2]" 1 
       210 1 25 LEU MD2  1 70 ILE MD   . . 2.910 2.909 2.876 2.921 0.011  8 0 "[    .    1    .    2]" 1 
       211 1 25 LEU MD1  1 70 ILE MD   . . 2.400 1.795 1.728 1.856     .  0 0 "[    .    1    .    2]" 1 
       212 1 29 ARG QD   1 32 LYS HA   . . 4.250 3.331 1.991 4.249     .  0 0 "[    .    1    .    2]" 1 
       213 1 31 GLY HA3  1 34 VAL MG1  . . 4.850 4.175 3.106 4.855 0.005 13 0 "[    .    1    .    2]" 1 
       214 1 31 GLY HA3  1 34 VAL MG2  . . 4.850 3.860 3.071 4.744     .  0 0 "[    .    1    .    2]" 1 
       215 1 34 VAL HA   1 38 ILE MG   . . 3.930 2.738 2.216 3.606     .  0 0 "[    .    1    .    2]" 1 
       216 1 39 LEU HA   1 40 ALA HA   . . 4.850 4.825 4.802 4.856 0.006  2 0 "[    .    1    .    2]" 1 
       217 1 39 LEU MD1  1 40 ALA HA   . . 5.240 4.969 4.648 5.124     .  0 0 "[    .    1    .    2]" 1 
       218 1 39 LEU MD2  1 40 ALA HA   . . 5.240 4.112 3.206 4.899     .  0 0 "[    .    1    .    2]" 1 
       219 1 34 VAL MG1  1 39 LEU HG   . . 5.230 3.906 1.916 5.233 0.003  5 0 "[    .    1    .    2]" 1 
       220 1 34 VAL MG1  1 39 LEU MD1  . . 4.130 2.687 1.790 3.148     .  0 0 "[    .    1    .    2]" 1 
       221 1 34 VAL MG1  1 67 PHE QE   . . 4.240 3.076 2.279 4.203     .  0 0 "[    .    1    .    2]" 1 
       222 1 38 ILE HA   1 38 ILE MD   . . 4.060 3.773 2.846 3.892     .  0 0 "[    .    1    .    2]" 1 
       223 1 34 VAL MG2  1 39 LEU HG   . . 5.230 3.593 1.943 5.241 0.011  8 0 "[    .    1    .    2]" 1 
       224 1 34 VAL MG2  1 39 LEU MD1  . . 4.130 2.693 2.005 4.130 0.000 10 0 "[    .    1    .    2]" 1 
       225 1 34 VAL MG1  1 39 LEU MD2  . . 4.130 3.755 2.956 4.140 0.010 20 0 "[    .    1    .    2]" 1 
       226 1 34 VAL MG2  1 39 LEU MD2  . . 4.130 3.599 3.052 4.143 0.013 10 0 "[    .    1    .    2]" 1 
       227 1 34 VAL MG2  1 67 PHE QE   . . 4.240 4.065 3.808 4.248 0.008 10 0 "[    .    1    .    2]" 1 
       228 1 35 ASP HA   1 38 ILE MG   . . 5.500 5.504 5.489 5.513 0.013 18 0 "[    .    1    .    2]" 1 
       229 1 35 ASP HB3  1 38 ILE MD   . . 4.120 3.083 1.950 4.119     .  0 0 "[    .    1    .    2]" 1 
       230 1 35 ASP HB2  1 38 ILE MD   . . 4.120 2.113 1.900 2.751     .  0 0 "[    .    1    .    2]" 1 
       231 1 36 THR HA   1 39 LEU HB3  . . 4.070 3.161 2.653 3.452     .  0 0 "[    .    1    .    2]" 1 
       232 1 36 THR HA   1 39 LEU HB2  . . 4.070 3.731 3.273 4.073 0.003  8 0 "[    .    1    .    2]" 1 
       233 1 36 THR HA   1 40 ALA MB   . . 4.900 4.510 3.983 4.722     .  0 0 "[    .    1    .    2]" 1 
       234 1 36 THR HA   1 64 GLU HA   . . 3.990 3.597 3.251 3.991 0.001  7 0 "[    .    1    .    2]" 1 
       235 1 36 THR MG   1 64 GLU HB2  . . 4.770 4.301 3.910 4.737     .  0 0 "[    .    1    .    2]" 1 
       236 1 36 THR MG   1 64 GLU HB3  . . 3.760 3.256 2.639 3.759     .  0 0 "[    .    1    .    2]" 1 
       237 1 36 THR MG   1 64 GLU HG2  . . 4.460 2.957 2.142 3.439     .  0 0 "[    .    1    .    2]" 1 
       238 1 36 THR MG   1 64 GLU HG3  . . 4.460 4.113 3.378 4.463 0.003  1 0 "[    .    1    .    2]" 1 
       239 1 36 THR MG   1 67 PHE HB2  . . 4.610 2.878 2.574 3.262     .  0 0 "[    .    1    .    2]" 1 
       240 1 36 THR MG   1 67 PHE QE   . . 4.680 3.634 3.306 4.123     .  0 0 "[    .    1    .    2]" 1 
       241 1 36 THR MG   1 67 PHE QD   . . 3.790 2.370 1.903 2.790     .  0 0 "[    .    1    .    2]" 1 
       242 1 36 THR MG   1 68 SER HA   . . 5.350 4.897 4.521 5.313     .  0 0 "[    .    1    .    2]" 1 
       243 1 36 THR MG   1 64 GLU HA   . . 3.900 2.091 1.866 2.590     .  0 0 "[    .    1    .    2]" 1 
       244 1 37 GLY HA3  1 40 ALA MB   . . 4.600 4.314 4.102 4.498     .  0 0 "[    .    1    .    2]" 1 
       245 1 37 GLY HA2  1 40 ALA MB   . . 3.970 2.908 2.722 3.128     .  0 0 "[    .    1    .    2]" 1 
       246 1 37 GLY HA3  1 60 ARG QD   . . 4.770 4.119 3.510 4.766     .  0 0 "[    .    1    .    2]" 1 
       247 1 37 GLY HA2  1 60 ARG QD   . . 4.320 3.099 2.327 4.151     .  0 0 "[    .    1    .    2]" 1 
       248 1 38 ILE HA   1 41 SER QB   . . 4.720 3.030 2.708 3.581     .  0 0 "[    .    1    .    2]" 1 
       249 1 38 ILE MG   1 41 SER QB   . . 4.110 3.806 3.441 4.097     .  0 0 "[    .    1    .    2]" 1 
       250 1 38 ILE MG   1 42 ASP HB3  . . 4.900 4.691 4.248 4.908 0.008 16 0 "[    .    1    .    2]" 1 
       251 1 39 LEU HA   1 42 ASP HB3  . . 4.790 3.464 2.741 4.372     .  0 0 "[    .    1    .    2]" 1 
       252 1 39 LEU HA   1 42 ASP HB2  . . 4.790 3.065 2.316 3.730     .  0 0 "[    .    1    .    2]" 1 
       253 1 39 LEU HG   1 43 LEU MD2  . . 5.280 3.808 2.820 5.096     .  0 0 "[    .    1    .    2]" 1 
       254 1 39 LEU HG   1 43 LEU MD1  . . 4.460 3.806 3.071 4.463 0.003 20 0 "[    .    1    .    2]" 1 
       255 1 39 LEU MD1  1 43 LEU MD2  . . 3.720 3.532 3.231 3.720 0.000 20 0 "[    .    1    .    2]" 1 
       256 1 39 LEU MD1  1 43 LEU MD1  . . 3.940 3.165 2.476 3.951 0.011 16 0 "[    .    1    .    2]" 1 
       257 1 39 LEU MD2  1 43 LEU MD2  . . 3.720 2.879 2.160 3.454     .  0 0 "[    .    1    .    2]" 1 
       258 1 39 LEU MD2  1 43 LEU MD1  . . 3.940 3.173 2.193 3.945 0.005  4 0 "[    .    1    .    2]" 1 
       259 1 40 ALA HA   1 41 SER HA   . . 4.980 4.775 4.730 4.809     .  0 0 "[    .    1    .    2]" 1 
       260 1 40 ALA HA   1 43 LEU MD2  . . 4.220 3.636 3.289 3.882     .  0 0 "[    .    1    .    2]" 1 
       261 1 40 ALA HA   1 43 LEU MD1  . . 5.140 4.971 4.648 5.137     .  0 0 "[    .    1    .    2]" 1 
       262 1 40 ALA HA   1 43 LEU HB3  . . 4.730 3.251 2.945 3.604     .  0 0 "[    .    1    .    2]" 1 
       263 1 40 ALA HA   1 63 VAL MG1  . . 3.980 2.422 1.974 2.853     .  0 0 "[    .    1    .    2]" 1 
       264 1 40 ALA HA   1 63 VAL MG2  . . 3.980 2.224 1.944 3.008     .  0 0 "[    .    1    .    2]" 1 
       265 1 17 LEU MD2  1 40 ALA MB   . . 5.200 4.762 4.197 5.205 0.005  8 0 "[    .    1    .    2]" 1 
       266 1 40 ALA MB   1 43 LEU MD2  . . 5.480 4.590 4.246 4.827     .  0 0 "[    .    1    .    2]" 1 
       267 1 40 ALA MB   1 59 PHE QE   . . 4.640 3.355 2.298 4.599     .  0 0 "[    .    1    .    2]" 1 
       268 1 40 ALA MB   1 59 PHE QD   . . 3.990 2.897 2.041 3.703     .  0 0 "[    .    1    .    2]" 1 
       269 1 40 ALA MB   1 60 ARG HA   . . 3.270 2.422 1.980 2.994     .  0 0 "[    .    1    .    2]" 1 
       270 1 60 ARG HA   1 60 ARG QG   . . 3.700 2.342 2.125 2.615     .  0 0 "[    .    1    .    2]" 1 
       271 1 40 ALA MB   1 60 ARG HB3  . . 4.740 4.170 3.509 4.733     .  0 0 "[    .    1    .    2]" 1 
       272 1 40 ALA MB   1 60 ARG QD   . . 3.900 2.848 1.925 3.906 0.006  6 0 "[    .    1    .    2]" 1 
       273 1 40 ALA MB   1 63 VAL MG1  . . 3.470 2.297 1.698 2.714     .  0 0 "[    .    1    .    2]" 1 
       274 1 40 ALA MB   1 63 VAL MG2  . . 3.470 2.086 1.837 3.365     .  0 0 "[    .    1    .    2]" 1 
       275 1 41 SER QB   1 45 ARG QB   . . 4.520 4.214 3.868 4.514     .  0 0 "[    .    1    .    2]" 1 
       276 1 41 SER QB   1 45 ARG QD   . . 5.160 4.056 2.857 5.024     .  0 0 "[    .    1    .    2]" 1 
       277 1 42 ASP HA   1 46 LEU HG   . . 4.930 4.851 4.726 4.946 0.016 16 0 "[    .    1    .    2]" 1 
       278 1 38 ILE MG   1 42 ASP HB2  . . 4.900 3.590 3.209 3.949     .  0 0 "[    .    1    .    2]" 1 
       279 1 43 LEU HA   1 46 LEU MD1  . . 3.560 2.720 2.496 2.928     .  0 0 "[    .    1    .    2]" 1 
       280 1 43 LEU HA   1 46 LEU HB3  . . 5.240 4.769 4.582 4.879     .  0 0 "[    .    1    .    2]" 1 
       281 1 43 LEU HA   1 46 LEU HB2  . . 5.240 5.100 4.821 5.242 0.002  2 0 "[    .    1    .    2]" 1 
       282 1 43 LEU HA   1 47 TYR QD   . . 4.340 4.184 3.882 4.339     .  0 0 "[    .    1    .    2]" 1 
       283 1 24 TYR QD   1 43 LEU HA   . . 5.080 4.721 4.414 4.989     .  0 0 "[    .    1    .    2]" 1 
       284 1 43 LEU HA   1 51 TYR QD   . . 5.500 4.887 4.400 5.416     .  0 0 "[    .    1    .    2]" 1 
       285 1 43 LEU HB3  1 46 LEU MD1  . . 4.910 4.616 4.220 4.900     .  0 0 "[    .    1    .    2]" 1 
       286 1 43 LEU HB2  1 46 LEU MD1  . . 5.190 4.823 4.482 5.058     .  0 0 "[    .    1    .    2]" 1 
       287 1 43 LEU HB2  1 46 LEU MD2  . . 4.760 4.110 4.011 4.385     .  0 0 "[    .    1    .    2]" 1 
       288 1 21 VAL MG2  1 43 LEU HB2  . . 4.060 3.961 3.746 4.064 0.004 16 0 "[    .    1    .    2]" 1 
       289 1 43 LEU HB3  1 47 TYR HB2  . . 5.330 4.944 4.706 5.330 0.000  2 0 "[    .    1    .    2]" 1 
       290 1 43 LEU HB3  1 51 TYR QD   . . 5.470 3.958 2.726 4.505     .  0 0 "[    .    1    .    2]" 1 
       291 1 24 TYR QD   1 43 LEU HB2  . . 5.430 5.409 5.278 5.440 0.010  9 0 "[    .    1    .    2]" 1 
       292 1 43 LEU HB3  1 59 PHE QE   . . 4.640 2.815 1.979 3.712     .  0 0 "[    .    1    .    2]" 1 
       293 1 43 LEU MD1  1 46 LEU HG   . . 4.360 3.791 3.588 3.932     .  0 0 "[    .    1    .    2]" 1 
       294 1 43 LEU MD2  1 46 LEU MD2  . . 4.920 4.683 4.444 4.820     .  0 0 "[    .    1    .    2]" 1 
       295 1 43 LEU MD1  1 46 LEU MD2  . . 3.000 2.469 2.090 2.703     .  0 0 "[    .    1    .    2]" 1 
       296 1 43 LEU MD2  1 51 TYR QD   . . 5.330 3.942 3.080 4.585     .  0 0 "[    .    1    .    2]" 1 
       297 1 43 LEU MD2  1 59 PHE QE   . . 4.660 3.394 2.824 3.782     .  0 0 "[    .    1    .    2]" 1 
       298 1 43 LEU MD2  1 63 VAL MG2  . . 4.110 2.732 2.030 3.050     .  0 0 "[    .    1    .    2]" 1 
       299 1 43 LEU MD1  1 47 TYR QD   . . 3.950 3.393 3.077 3.673     .  0 0 "[    .    1    .    2]" 1 
       300 1 43 LEU MD1  1 47 TYR QE   . . 4.010 3.937 3.570 4.016 0.006  8 0 "[    .    1    .    2]" 1 
       301 1 43 LEU MD2  1 63 VAL MG1  . . 4.110 3.121 2.685 3.829     .  0 0 "[    .    1    .    2]" 1 
       302 1 43 LEU MD1  1 63 VAL MG1  . . 5.500 4.584 4.177 5.514 0.014  8 0 "[    .    1    .    2]" 1 
       303 1 43 LEU MD1  1 63 VAL MG2  . . 5.500 4.708 3.661 5.037     .  0 0 "[    .    1    .    2]" 1 
       304 1 44 GLN HA   1 48 SER HA   . . 4.270 3.900 3.375 4.275 0.005  9 0 "[    .    1    .    2]" 1 
       305 1 44 GLN HA   1 51 TYR QB   . . 3.950 2.552 1.934 3.113     .  0 0 "[    .    1    .    2]" 1 
       306 1 44 GLN HA   1 51 TYR QD   . . 4.790 3.194 2.132 3.973     .  0 0 "[    .    1    .    2]" 1 
       307 1 44 GLN HA   1 59 PHE QE   . . 4.710 3.685 2.971 4.427     .  0 0 "[    .    1    .    2]" 1 
       308 1 44 GLN HG2  1 51 TYR QB   . . 5.500 4.187 2.391 5.500 0.000 20 0 "[    .    1    .    2]" 1 
       309 1 44 GLN HG3  1 51 TYR QB   . . 5.500 4.006 2.309 5.498     .  0 0 "[    .    1    .    2]" 1 
       310 1 45 ARG HA   1 48 SER QB   . . 3.990 3.381 2.869 3.995 0.005 20 0 "[    .    1    .    2]" 1 
       311 1 47 TYR HA   1 51 TYR QB   . . 5.210 4.768 4.312 5.161     .  0 0 "[    .    1    .    2]" 1 
       312 1 47 TYR HB3  1 50 ASP HA   . . 4.920 4.913 4.773 4.927 0.007  9 0 "[    .    1    .    2]" 1 
       313 1 47 TYR HB3  1 50 ASP HB3  . . 3.890 2.872 2.061 3.891 0.001  2 0 "[    .    1    .    2]" 1 
       314 1 47 TYR HB3  1 50 ASP HB2  . . 3.890 2.722 2.136 3.587     .  0 0 "[    .    1    .    2]" 1 
       315 1 47 TYR HB3  1 51 TYR HA   . . 4.890 4.656 4.355 4.893 0.003 18 0 "[    .    1    .    2]" 1 
       316 1 47 TYR HB2  1 51 TYR QD   . . 4.700 2.334 1.983 3.149     .  0 0 "[    .    1    .    2]" 1 
       317 1 47 TYR HB3  1 51 TYR QD   . . 4.480 2.560 2.125 3.013     .  0 0 "[    .    1    .    2]" 1 
       318 1 48 SER HA   1 52 GLY HA2  . . 4.590 3.373 2.217 4.590     .  0 0 "[    .    1    .    2]" 1 
       319 1 48 SER HA   1 52 GLY HA3  . . 4.590 3.004 1.989 4.594 0.004  2 0 "[    .    1    .    2]" 1 
       320 1 51 TYR HA   1 59 PHE QE   . . 5.020 4.349 3.106 4.824     .  0 0 "[    .    1    .    2]" 1 
       321 1 51 TYR QB   1 59 PHE QE   . . 4.280 3.065 2.756 3.359     .  0 0 "[    .    1    .    2]" 1 
       322 1 51 TYR QB   1 59 PHE QD   . . 4.760 3.857 2.435 4.775 0.015  2 0 "[    .    1    .    2]" 1 
       323 1 51 TYR QE   1 59 PHE QE   . . 3.280 3.133 2.758 3.302 0.022  8 0 "[    .    1    .    2]" 1 
       324 1 55 LYS HB3  1 58 ALA MB   . . 3.620 2.168 1.776 3.176     .  0 0 "[    .    1    .    2]" 1 
       325 1 55 LYS HB2  1 58 ALA MB   . . 3.620 2.721 1.805 3.458     .  0 0 "[    .    1    .    2]" 1 
       326 1 55 LYS QG   1 58 ALA MB   . . 2.730 2.387 1.930 2.758 0.028 13 0 "[    .    1    .    2]" 1 
       327 1 55 LYS QD   1 58 ALA HA   . . 5.000 4.374 3.461 4.762     .  0 0 "[    .    1    .    2]" 1 
       328 1 55 LYS QD   1 58 ALA MB   . . 3.230 1.944 1.812 2.145     .  0 0 "[    .    1    .    2]" 1 
       329 1 57 ASN HA   1 60 ARG HB3  . . 4.750 4.060 3.128 4.618     .  0 0 "[    .    1    .    2]" 1 
       330 1 57 ASN HA   1 60 ARG HB2  . . 4.510 2.780 2.480 3.086     .  0 0 "[    .    1    .    2]" 1 
       331 1 57 ASN QB   1 61 ILE MD   . . 4.730 3.018 2.358 3.368     .  0 0 "[    .    1    .    2]" 1 
       332 1 58 ALA HA   1 61 ILE MG   . . 4.490 4.402 4.293 4.496 0.006  1 0 "[    .    1    .    2]" 1 
       333 1 58 ALA HA   1 61 ILE MD   . . 3.760 1.987 1.834 2.403     .  0 0 "[    .    1    .    2]" 1 
       334 1 58 ALA MB   1 61 ILE MD   . . 4.230 3.309 3.106 3.628     .  0 0 "[    .    1    .    2]" 1 
       335 1 60 ARG HA   1 63 VAL MG1  . . 4.600 4.247 1.957 4.605 0.005  2 0 "[    .    1    .    2]" 1 
       336 1 60 ARG HA   1 63 VAL MG2  . . 4.600 3.120 2.655 4.563     .  0 0 "[    .    1    .    2]" 1 
       337 1 61 ILE HA   1 64 GLU HB2  . . 3.970 2.408 2.035 2.640     .  0 0 "[    .    1    .    2]" 1 
       338 1 61 ILE HA   1 64 GLU HB3  . . 4.340 3.910 3.486 4.180     .  0 0 "[    .    1    .    2]" 1 
       339 1 61 ILE HA   1 65 LYS QB   . . 5.310 5.027 4.687 5.216     .  0 0 "[    .    1    .    2]" 1 
       340 1 61 ILE HA   1 65 LYS QD   . . 4.530 3.775 3.331 4.381     .  0 0 "[    .    1    .    2]" 1 
       341 1 61 ILE HA   1 65 LYS QE   . . 4.620 4.277 3.287 4.621 0.001  6 0 "[    .    1    .    2]" 1 
       342 1 61 ILE MG   1 64 GLU HB2  . . 3.700 3.457 3.253 3.693     .  0 0 "[    .    1    .    2]" 1 
       343 1 61 ILE MG   1 64 GLU HB3  . . 4.680 4.460 4.128 4.681 0.001 19 0 "[    .    1    .    2]" 1 
       344 1 61 ILE MG   1 65 LYS HA   . . 5.500 5.336 5.057 5.502 0.002  8 0 "[    .    1    .    2]" 1 
       345 1 61 ILE MG   1 65 LYS QB   . . 3.680 3.620 3.391 3.688 0.008 20 0 "[    .    1    .    2]" 1 
       346 1 61 ILE MG   1 65 LYS QG   . . 4.000 3.740 3.370 3.978     .  0 0 "[    .    1    .    2]" 1 
       347 1 61 ILE MG   1 65 LYS QD   . . 3.440 2.549 2.098 3.351     .  0 0 "[    .    1    .    2]" 1 
       348 1 61 ILE MG   1 65 LYS QE   . . 4.560 2.421 1.797 3.261     .  0 0 "[    .    1    .    2]" 1 
       349 1 62 GLN HA   1 65 LYS QB   . . 3.680 3.178 2.989 3.573     .  0 0 "[    .    1    .    2]" 1 
       350 1 62 GLN HA   1 65 LYS QD   . . 4.870 4.426 3.953 4.873 0.003 13 0 "[    .    1    .    2]" 1 
       351 1 61 ILE MG   1 62 GLN HA   . . 4.720 3.695 3.502 3.811     .  0 0 "[    .    1    .    2]" 1 
       352 1 62 GLN HA   1 66 VAL MG2  . . 5.120 3.580 3.364 3.737     .  0 0 "[    .    1    .    2]" 1 
       353 1 62 GLN QB   1 65 LYS QB   . . 5.330 4.902 4.625 5.222     .  0 0 "[    .    1    .    2]" 1 
       354 1 62 GLN QB   1 66 VAL MG2  . . 3.540 3.148 2.864 3.471     .  0 0 "[    .    1    .    2]" 1 
       355 1 63 VAL HA   1 66 VAL MG1  . . 3.610 3.365 3.211 3.505     .  0 0 "[    .    1    .    2]" 1 
       356 1 21 VAL MG2  1 63 VAL HA   . . 4.270 3.999 3.673 4.207     .  0 0 "[    .    1    .    2]" 1 
       357 1 63 VAL HA   1 66 VAL MG2  . . 4.450 3.282 2.804 3.556     .  0 0 "[    .    1    .    2]" 1 
       358 1 64 GLU HA   1 67 PHE HB2  . . 3.940 3.684 3.557 3.830     .  0 0 "[    .    1    .    2]" 1 
       359 1 64 GLU HA   1 67 PHE HB3  . . 4.220 3.214 2.997 3.634     .  0 0 "[    .    1    .    2]" 1 
       360 1 67 PHE HB3  1 68 SER QB   . . 5.030 4.154 3.797 4.694     .  0 0 "[    .    1    .    2]" 1 
       361 1 65 LYS HA   1 65 LYS QD   . . 3.940 2.503 2.317 2.692     .  0 0 "[    .    1    .    2]" 1 
       362 1 65 LYS QB   1 69 ILE MG   . . 4.730 4.086 3.960 4.197     .  0 0 "[    .    1    .    2]" 1 
       363 1 18 LYS HB2  1 66 VAL HA   . . 4.730 4.198 3.964 4.426     .  0 0 "[    .    1    .    2]" 1 
       364 1 66 VAL HA   1 69 ILE QG   . . 5.180 4.757 4.705 4.874     .  0 0 "[    .    1    .    2]" 1 
       365 1 66 VAL HA   1 69 ILE MD   . . 3.990 3.965 3.850 3.995 0.005  9 0 "[    .    1    .    2]" 1 
       366 1 66 VAL HA   1 70 ILE MG   . . 4.100 3.429 3.395 3.476     .  0 0 "[    .    1    .    2]" 1 
       367 1 66 VAL HA   1 69 ILE MG   . . 3.400 1.805 1.790 1.836     .  0 0 "[    .    1    .    2]" 1 
       368 1 66 VAL HA   1 70 ILE MD   . . 5.290 4.994 4.883 5.082     .  0 0 "[    .    1    .    2]" 1 
       369 1 18 LYS HA   1 66 VAL MG1  . . 3.490 1.841 1.823 1.864     .  0 0 "[    .    1    .    2]" 1 
       370 1 66 VAL MG1  1 70 ILE HA   . . 4.810 4.673 4.432 4.807     .  0 0 "[    .    1    .    2]" 1 
       371 1 66 VAL MG1  1 70 ILE MG   . . 3.170 2.011 1.866 2.115     .  0 0 "[    .    1    .    2]" 1 
       372 1 66 VAL MG1  1 69 ILE MG   . . 3.110 2.837 2.721 2.889     .  0 0 "[    .    1    .    2]" 1 
       373 1 66 VAL MG1  1 70 ILE QG   . . 4.360 3.571 3.531 3.602     .  0 0 "[    .    1    .    2]" 1 
       374 1 66 VAL MG1  1 70 ILE MD   . . 3.050 2.919 2.789 3.052 0.002  6 0 "[    .    1    .    2]" 1 
       375 1 66 VAL MG2  1 69 ILE MG   . . 2.930 2.952 2.943 2.962 0.032 17 0 "[    .    1    .    2]" 1 
       376 1 67 PHE HA   1 70 ILE MG   . . 4.340 3.273 3.184 3.387     .  0 0 "[    .    1    .    2]" 1 
       377 1 67 PHE HA   1 70 ILE QG   . . 4.350 2.204 2.100 2.285     .  0 0 "[    .    1    .    2]" 1 
       378 1 67 PHE HA   1 70 ILE MD   . . 3.700 1.955 1.898 2.029     .  0 0 "[    .    1    .    2]" 1 
       379 1 36 THR MG   1 67 PHE HB3  . . 4.380 2.084 1.921 2.461     .  0 0 "[    .    1    .    2]" 1 
       380 1 67 PHE QD   1 70 ILE MD   . . 4.630 2.635 2.121 3.017     .  0 0 "[    .    1    .    2]" 1 
       381 1 68 SER HA   1 71 SER HB3  . . 5.030 4.518 3.250 5.038 0.008 20 0 "[    .    1    .    2]" 1 
       382 1 68 SER HA   1 71 SER HB2  . . 5.030 4.272 3.623 4.947     .  0 0 "[    .    1    .    2]" 1 
       383 1 69 ILE HA   1 72 SER QB   . . 3.950 2.886 2.565 3.225     .  0 0 "[    .    1    .    2]" 1 
       384 1 69 ILE HA   1 73 GLU HA   . . 5.500 5.505 5.378 5.540 0.040  2 0 "[    .    1    .    2]" 1 
       385 1 69 ILE QG   1 73 GLU HA   . . 5.180 4.344 4.181 4.472     .  0 0 "[    .    1    .    2]" 1 
       386 1 69 ILE QG   1 73 GLU HB3  . . 4.560 3.404 2.338 3.741     .  0 0 "[    .    1    .    2]" 1 
       387 1 69 ILE QG   1 73 GLU HB2  . . 4.560 2.302 1.969 2.667     .  0 0 "[    .    1    .    2]" 1 
       388 1 70 ILE HA   1 74 LYS HA   . . 5.500 5.454 5.246 5.545 0.045  9 0 "[    .    1    .    2]" 1 
       389 1 70 ILE HA   1 74 LYS QD   . . 4.390 3.303 2.104 3.839     .  0 0 "[    .    1    .    2]" 1 
       390 1 70 ILE HA   1 74 LYS QE   . . 4.410 4.057 2.945 4.412 0.002 17 0 "[    .    1    .    2]" 1 
       391 1 74 LYS HA   1 74 LYS QD   . . 3.930 2.360 2.034 3.039     .  0 0 "[    .    1    .    2]" 1 
       392 1 22 ILE HG12 1 70 ILE MG   . . 4.230 4.212 4.084 4.241 0.011  6 0 "[    .    1    .    2]" 1 
       393 1 70 ILE MG   1 74 LYS QE   . . 4.370 3.776 2.859 4.128     .  0 0 "[    .    1    .    2]" 1 
       394 1 71 SER HA   1 75 GLU HA   . . 4.050 3.689 3.155 4.053 0.003  9 0 "[    .    1    .    2]" 1 
       395 1 71 SER HB3  1 75 GLU HA   . . 5.500 5.141 4.529 5.504 0.004 17 0 "[    .    1    .    2]" 1 
       396 1 71 SER HB2  1 75 GLU HA   . . 5.500 5.022 4.404 5.502 0.002 12 0 "[    .    1    .    2]" 1 
       397 1 25 LEU MD2  1 67 PHE QD   . . 4.640 3.578 3.058 3.891     .  0 0 "[    .    1    .    2]" 1 
       398 1 25 LEU MD1  1 67 PHE QE   . . 4.950 4.245 3.222 4.738     .  0 0 "[    .    1    .    2]" 1 
       399 1 36 THR H    1 37 GLY H    . . 3.980 2.882 2.798 2.944     .  0 0 "[    .    1    .    2]" 1 
       400 1 26 SER H    1 26 SER QB   . . 3.140 2.265 2.083 2.618     .  0 0 "[    .    1    .    2]" 1 
       401 1 69 ILE MG   1 71 SER H    . . 4.620 4.165 4.139 4.231     .  0 0 "[    .    1    .    2]" 1 
       402 1 70 ILE MD   1 71 SER H    . . 4.820 3.816 3.707 3.854     .  0 0 "[    .    1    .    2]" 1 
       403 1 67 PHE HA   1 71 SER H    . . 4.740 4.571 4.452 4.710     .  0 0 "[    .    1    .    2]" 1 
       404 1 65 LYS QD   1 68 SER H    . . 5.500 5.369 5.145 5.503 0.003 15 0 "[    .    1    .    2]" 1 
       405 1 18 LYS H    1 19 GLN H    . . 3.400 2.607 2.557 2.640     .  0 0 "[    .    1    .    2]" 1 
       406 1 19 GLN H    1 22 ILE HG12 . . 4.130 4.136 4.125 4.144 0.014  5 0 "[    .    1    .    2]" 1 
       407 1 19 GLN H    1 22 ILE MG   . . 4.530 4.386 4.303 4.495     .  0 0 "[    .    1    .    2]" 1 
       408 1 43 LEU HB2  1 44 GLN H    . . 4.100 3.474 3.309 3.572     .  0 0 "[    .    1    .    2]" 1 
       409 1 44 GLN H    1 44 GLN HG2  . . 4.630 3.609 2.113 4.592     .  0 0 "[    .    1    .    2]" 1 
       410 1 45 ARG H    1 45 ARG QG   . . 4.860 3.794 2.957 4.058     .  0 0 "[    .    1    .    2]" 1 
       411 1 44 GLN H    1 59 PHE QE   . . 4.540 3.070 2.095 4.543 0.003  9 0 "[    .    1    .    2]" 1 
       412 1 18 LYS H    1 66 VAL MG2  . . 4.060 2.954 2.822 3.156     .  0 0 "[    .    1    .    2]" 1 
       413 1 18 LYS H    1 18 LYS HG2  . . 4.550 4.467 4.428 4.515     .  0 0 "[    .    1    .    2]" 1 
       414 1 18 LYS H    1 69 ILE MG   . . 5.480 5.434 5.300 5.496 0.016  3 0 "[    .    1    .    2]" 1 
       415 1 50 ASP H    1 51 TYR H    . . 3.420 2.596 2.361 2.847     .  0 0 "[    .    1    .    2]" 1 
       416 1 60 ARG H    1 61 ILE H    . . 3.510 2.694 2.550 2.822     .  0 0 "[    .    1    .    2]" 1 
       417 1 36 THR H    1 36 THR MG   . . 3.510 2.320 1.973 3.002     .  0 0 "[    .    1    .    2]" 1 
       418 1 35 ASP HA   1 36 THR H    . . 3.280 2.617 2.468 2.740     .  0 0 "[    .    1    .    2]" 1 
       419 1 47 TYR H    1 47 TYR QD   . . 3.830 3.832 3.798 3.843 0.013 16 0 "[    .    1    .    2]" 1 
       420 1 55 LYS QE   1 59 PHE H    . . 5.500 5.203 3.867 5.522 0.022  4 0 "[    .    1    .    2]" 1 
       421 1 21 VAL MG1  1 25 LEU H    . . 3.800 3.741 3.659 3.787     .  0 0 "[    .    1    .    2]" 1 
       422 1 55 LYS QD   1 59 PHE H    . . 4.950 4.359 3.594 4.961 0.011 10 0 "[    .    1    .    2]" 1 
       423 1 11 VAL H    1 11 VAL MG1  . . 4.510 3.137 2.179 3.996     .  0 0 "[    .    1    .    2]" 1 
       424 1 11 VAL H    1 11 VAL MG2  . . 4.510 2.513 1.927 4.062     .  0 0 "[    .    1    .    2]" 1 
       425 1 75 GLU H    1 75 GLU HB2  . . 4.120 3.346 3.064 3.937     .  0 0 "[    .    1    .    2]" 1 
       426 1 18 LYS HB3  1 20 ARG H    . . 5.220 4.942 4.850 5.094     .  0 0 "[    .    1    .    2]" 1 
       427 1 20 ARG H    1 20 ARG HB2  . . 3.340 2.242 2.137 2.374     .  0 0 "[    .    1    .    2]" 1 
       428 1 20 ARG H    1 20 ARG HB3  . . 3.690 2.873 2.696 3.049     .  0 0 "[    .    1    .    2]" 1 
       429 1 60 ARG H    1 62 GLN H    . . 4.540 4.136 3.955 4.394     .  0 0 "[    .    1    .    2]" 1 
       430 1 63 VAL H    1 66 VAL HB   . . 4.590 4.542 4.433 4.605 0.015  3 0 "[    .    1    .    2]" 1 
       431 1 40 ALA MB   1 43 LEU H    . . 4.920 4.740 4.597 4.884     .  0 0 "[    .    1    .    2]" 1 
       432 1 69 ILE MG   1 70 ILE H    . . 3.370 1.914 1.881 1.972     .  0 0 "[    .    1    .    2]" 1 
       433 1 66 VAL MG1  1 70 ILE H    . . 4.060 3.626 3.477 3.701     .  0 0 "[    .    1    .    2]" 1 
       434 1 40 ALA MB   1 63 VAL H    . . 4.650 4.005 3.677 4.510     .  0 0 "[    .    1    .    2]" 1 
       435 1 43 LEU H    1 43 LEU HB2  . . 3.240 2.128 2.072 2.183     .  0 0 "[    .    1    .    2]" 1 
       436 1 46 LEU H    1 46 LEU MD1  . . 3.970 3.510 3.394 3.593     .  0 0 "[    .    1    .    2]" 1 
       437 1 65 LYS H    1 66 VAL HB   . . 4.580 4.514 4.467 4.580     . 17 0 "[    .    1    .    2]" 1 
       438 1 22 ILE H    1 22 ILE MG   . . 3.400 2.247 2.067 2.357     .  0 0 "[    .    1    .    2]" 1 
       439 1 21 VAL MG1  1 22 ILE H    . . 3.870 2.880 2.805 2.941     .  0 0 "[    .    1    .    2]" 1 
       440 1 36 THR MG   1 67 PHE H    . . 4.190 3.914 3.571 4.191 0.001 12 0 "[    .    1    .    2]" 1 
       441 1 67 PHE H    1 70 ILE MD   . . 4.630 4.204 4.139 4.271     .  0 0 "[    .    1    .    2]" 1 
       442 1 73 GLU H    1 73 GLU HB2  . . 3.590 2.216 2.063 2.574     .  0 0 "[    .    1    .    2]" 1 
       443 1 76 LEU H    1 76 LEU QB   . . 3.500 2.500 2.123 3.400     .  0 0 "[    .    1    .    2]" 1 
       444 1 20 ARG HB2  1 21 VAL H    . . 3.900 3.592 3.446 3.738     .  0 0 "[    .    1    .    2]" 1 
       445 1 20 ARG HB3  1 21 VAL H    . . 4.510 2.634 2.497 2.737     .  0 0 "[    .    1    .    2]" 1 
       446 1 55 LYS H    1 55 LYS QD   . . 4.810 4.282 3.432 4.810     .  0 0 "[    .    1    .    2]" 1 
       447 1 13 VAL HB   1 14 ASP H    . . 4.740 3.242 1.941 4.657     .  0 0 "[    .    1    .    2]" 1 
       448 1 35 ASP H    1 38 ILE MD   . . 3.880 2.127 1.899 3.039     .  0 0 "[    .    1    .    2]" 1 
       449 1  7 PRO HA   1  8 ARG H    . . 3.310 2.579 2.161 3.329 0.019  7 0 "[    .    1    .    2]" 1 
       450 1 11 VAL H    1 11 VAL HB   . . 3.720 3.355 2.614 3.718     .  0 0 "[    .    1    .    2]" 1 
       451 1 12 PHE QB   1 13 VAL H    . . 4.370 2.798 1.847 4.006     .  0 0 "[    .    1    .    2]" 1 
       452 1 13 VAL H    1 13 VAL HB   . . 3.940 3.323 2.614 3.708     .  0 0 "[    .    1    .    2]" 1 
       453 1 13 VAL H    1 13 VAL MG1  . . 4.320 3.445 2.203 4.024     .  0 0 "[    .    1    .    2]" 1 
       454 1 13 VAL H    1 13 VAL MG2  . . 4.320 2.714 2.005 4.053     .  0 0 "[    .    1    .    2]" 1 
       455 1 12 PHE HA   1 15 ARG H    . . 5.500 4.731 2.946 5.527 0.027 14 0 "[    .    1    .    2]" 1 
       456 1 11 VAL HA   1 15 ARG H    . . 5.450 4.689 3.763 5.452 0.002  2 0 "[    .    1    .    2]" 1 
       457 1 40 ALA H    1 40 ALA MB   . . 3.000 2.172 2.077 2.233     .  0 0 "[    .    1    .    2]" 1 
       458 1 38 ILE H    1 40 ALA H    . . 4.830 4.100 3.948 4.233     .  0 0 "[    .    1    .    2]" 1 
       459 1 39 LEU HG   1 40 ALA H    . . 5.130 4.278 3.507 5.084     .  0 0 "[    .    1    .    2]" 1 
       460 1 36 THR HA   1 40 ALA H    . . 4.370 4.065 3.540 4.283     .  0 0 "[    .    1    .    2]" 1 
       461 1 58 ALA H    1 58 ALA MB   . . 2.900 2.124 2.025 2.235     .  0 0 "[    .    1    .    2]" 1 
       462 1 58 ALA H    1 59 PHE H    . . 3.400 2.792 2.729 2.894     .  0 0 "[    .    1    .    2]" 1 
       463 1 55 LYS QD   1 58 ALA H    . . 4.450 3.592 1.797 4.458 0.008 18 0 "[    .    1    .    2]" 1 
       464 1 57 ASN QB   1 58 ALA H    . . 3.750 2.793 2.399 3.400     .  0 0 "[    .    1    .    2]" 1 
       465 1 58 ALA H    1 60 ARG H    . . 4.710 4.172 3.993 4.355     .  0 0 "[    .    1    .    2]" 1 
       466 1 35 ASP H    1 38 ILE HB   . . 4.280 2.041 1.877 2.433     .  0 0 "[    .    1    .    2]" 1 
       467 1 34 VAL HA   1 35 ASP H    . . 3.010 2.183 2.140 2.319     .  0 0 "[    .    1    .    2]" 1 
       468 1 34 VAL HB   1 35 ASP H    . . 4.720 4.238 3.470 4.566     .  0 0 "[    .    1    .    2]" 1 
       469 1 34 VAL H    1 35 ASP H    . . 4.790 4.406 4.096 4.638     .  0 0 "[    .    1    .    2]" 1 
       470 1 40 ALA H    1 42 ASP H    . . 4.590 4.213 3.914 4.406     .  0 0 "[    .    1    .    2]" 1 
       471 1 38 ILE HA   1 42 ASP H    . . 4.620 4.240 3.926 4.445     .  0 0 "[    .    1    .    2]" 1 
       472 1 39 LEU HA   1 42 ASP H    . . 4.380 3.498 3.316 3.717     .  0 0 "[    .    1    .    2]" 1 
       473 1 39 LEU H    1 42 ASP H    . . 5.070 4.806 4.694 4.957     .  0 0 "[    .    1    .    2]" 1 
       474 1 42 ASP H    1 43 LEU H    . . 3.460 2.633 2.494 2.787     .  0 0 "[    .    1    .    2]" 1 
       475 1 42 ASP H    1 44 GLN H    . . 4.510 4.105 3.952 4.407     .  0 0 "[    .    1    .    2]" 1 
       476 1 41 SER H    1 42 ASP H    . . 3.360 2.674 2.508 2.813     .  0 0 "[    .    1    .    2]" 1 
       477 1 41 SER QB   1 42 ASP H    . . 3.570 2.614 2.369 2.843     .  0 0 "[    .    1    .    2]" 1 
       478 1 48 SER H    1 50 ASP H    . . 4.480 4.080 3.815 4.366     .  0 0 "[    .    1    .    2]" 1 
       479 1 49 VAL HB   1 50 ASP H    . . 3.980 3.473 2.540 3.994 0.014 19 0 "[    .    1    .    2]" 1 
       480 1 49 VAL H    1 50 ASP H    . . 4.560 2.515 2.444 2.654     .  0 0 "[    .    1    .    2]" 1 
       481 1 47 TYR HA   1 50 ASP H    . . 4.770 3.318 3.177 3.486     .  0 0 "[    .    1    .    2]" 1 
       482 1 61 ILE HA   1 64 GLU H    . . 3.960 3.401 3.315 3.471     .  0 0 "[    .    1    .    2]" 1 
       483 1 64 GLU H    1 65 LYS H    . . 3.410 2.723 2.644 2.800     .  0 0 "[    .    1    .    2]" 1 
       484 1 60 ARG HA   1 64 GLU H    . . 4.380 4.174 3.945 4.372     .  0 0 "[    .    1    .    2]" 1 
       485 1 40 ALA MB   1 64 GLU H    . . 4.800 4.367 3.928 4.658     .  0 0 "[    .    1    .    2]" 1 
       486 1 63 VAL HB   1 64 GLU H    . . 4.030 2.877 2.659 4.029     .  0 0 "[    .    1    .    2]" 1 
       487 1 63 VAL H    1 64 GLU H    . . 3.470 2.570 2.443 2.642     .  0 0 "[    .    1    .    2]" 1 
       488 1 73 GLU H    1 73 GLU HB3  . . 3.590 3.138 2.427 3.538     .  0 0 "[    .    1    .    2]" 1 
       489 1 69 ILE HA   1 73 GLU H    . . 4.910 3.280 3.097 3.475     .  0 0 "[    .    1    .    2]" 1 
       490 1 70 ILE HA   1 73 GLU H    . . 4.590 3.973 3.765 4.197     .  0 0 "[    .    1    .    2]" 1 
       491 1 73 GLU H    1 74 LYS H    . . 3.600 2.768 2.625 2.892     .  0 0 "[    .    1    .    2]" 1 
       492 1 72 SER QB   1 73 GLU H    . . 4.290 2.546 2.380 2.763     .  0 0 "[    .    1    .    2]" 1 
       493 1 73 GLU H    1 75 GLU H    . . 4.460 4.219 3.700 4.433     .  0 0 "[    .    1    .    2]" 1 
       494 1 74 LYS H    1 75 GLU H    . . 3.570 2.507 2.343 2.595     .  0 0 "[    .    1    .    2]" 1 
       495 1 74 LYS QB   1 75 GLU H    . . 4.080 2.450 2.235 2.987     .  0 0 "[    .    1    .    2]" 1 
       496 1 71 SER HA   1 75 GLU H    . . 4.680 3.087 2.689 3.447     .  0 0 "[    .    1    .    2]" 1 
       497 1 72 SER HA   1 75 GLU H    . . 5.330 4.161 3.860 4.463     .  0 0 "[    .    1    .    2]" 1 
       498 1 58 ALA MB   1 59 PHE H    . . 3.240 2.509 2.368 2.672     .  0 0 "[    .    1    .    2]" 1 
       499 1 59 PHE H    1 59 PHE QD   . . 4.180 4.103 3.605 4.185 0.005  8 0 "[    .    1    .    2]" 1 
       500 1 59 PHE H    1 60 ARG H    . . 3.470 2.703 2.551 2.777     .  0 0 "[    .    1    .    2]" 1 
       501 1 64 GLU HA   1 67 PHE H    . . 4.000 3.680 3.533 3.806     .  0 0 "[    .    1    .    2]" 1 
       502 1 66 VAL HB   1 67 PHE H    . . 3.670 2.967 2.948 2.991     .  0 0 "[    .    1    .    2]" 1 
       503 1 66 VAL H    1 67 PHE H    . . 3.290 2.544 2.455 2.655     .  0 0 "[    .    1    .    2]" 1 
       504 1 35 ASP HA   1 37 GLY H    . . 4.990 4.959 4.724 4.997 0.007 13 0 "[    .    1    .    2]" 1 
       505 1 37 GLY H    1 38 ILE HB   . . 5.180 5.053 4.867 5.121     .  0 0 "[    .    1    .    2]" 1 
       506 1 37 GLY H    1 38 ILE H    . . 3.170 2.681 2.629 2.734     .  0 0 "[    .    1    .    2]" 1 
       507 1 44 GLN HA   1 52 GLY H    . . 4.400 3.812 3.255 4.335     .  0 0 "[    .    1    .    2]" 1 
       508 1 48 SER HA   1 52 GLY H    . . 3.450 2.397 2.107 2.736     .  0 0 "[    .    1    .    2]" 1 
       509 1 48 SER QB   1 52 GLY H    . . 4.710 4.260 3.916 4.483     .  0 0 "[    .    1    .    2]" 1 
       510 1 51 TYR H    1 52 GLY H    . . 3.230 2.628 2.231 2.887     .  0 0 "[    .    1    .    2]" 1 
       511 1 51 TYR QB   1 52 GLY H    . . 4.170 2.369 1.964 2.894     .  0 0 "[    .    1    .    2]" 1 
       512 1 22 ILE H    1 22 ILE HB   . . 3.650 3.627 3.623 3.631     .  0 0 "[    .    1    .    2]" 1 
       513 1 19 GLN HA   1 22 ILE H    . . 4.060 3.771 3.747 3.801     .  0 0 "[    .    1    .    2]" 1 
       514 1 20 ARG HA   1 22 ILE H    . . 4.980 4.835 4.799 4.864     .  0 0 "[    .    1    .    2]" 1 
       515 1 20 ARG H    1 22 ILE H    . . 4.510 4.371 4.312 4.418     .  0 0 "[    .    1    .    2]" 1 
       516 1 18 LYS HA   1 22 ILE H    . . 4.170 3.725 3.680 3.828     .  0 0 "[    .    1    .    2]" 1 
       517 1 21 VAL HB   1 22 ILE H    . . 3.600 2.549 2.524 2.577     .  0 0 "[    .    1    .    2]" 1 
       518 1 38 ILE H    1 38 ILE HB   . . 3.250 2.595 2.416 2.633     .  0 0 "[    .    1    .    2]" 1 
       519 1 38 ILE H    1 39 LEU H    . . 3.380 2.570 2.451 2.710     .  0 0 "[    .    1    .    2]" 1 
       520 1 38 ILE H    1 41 SER H    . . 5.200 4.891 4.785 5.029     .  0 0 "[    .    1    .    2]" 1 
       521 1 36 THR HA   1 38 ILE H    . . 4.740 4.398 4.247 4.735     .  0 0 "[    .    1    .    2]" 1 
       522 1 58 ALA HA   1 61 ILE H    . . 4.000 3.508 3.446 3.684     .  0 0 "[    .    1    .    2]" 1 
       523 1 58 ALA MB   1 61 ILE H    . . 4.880 4.625 4.560 4.781     .  0 0 "[    .    1    .    2]" 1 
       524 1 61 ILE H    1 61 ILE HB   . . 3.090 2.624 2.608 2.643     .  0 0 "[    .    1    .    2]" 1 
       525 1 57 ASN HA   1 61 ILE H    . . 4.540 4.370 4.064 4.515     .  0 0 "[    .    1    .    2]" 1 
       526 1 61 ILE H    1 62 GLN H    . . 3.350 2.655 2.567 2.749     .  0 0 "[    .    1    .    2]" 1 
       527 1 60 ARG QG   1 61 ILE H    . . 4.270 4.192 4.014 4.280 0.010 13 0 "[    .    1    .    2]" 1 
       528 1 68 SER QB   1 69 ILE H    . . 3.750 2.968 2.671 3.519     .  0 0 "[    .    1    .    2]" 1 
       529 1 69 ILE H    1 69 ILE HB   . . 3.170 2.471 2.438 2.484     .  0 0 "[    .    1    .    2]" 1 
       530 1 69 ILE H    1 70 ILE H    . . 3.400 2.584 2.556 2.637     .  0 0 "[    .    1    .    2]" 1 
       531 1 65 LYS HA   1 69 ILE H    . . 4.710 4.137 3.995 4.321     .  0 0 "[    .    1    .    2]" 1 
       532 1 68 SER HA   1 69 ILE H    . . 3.560 3.508 3.500 3.520     .  0 0 "[    .    1    .    2]" 1 
       533 1 66 VAL HA   1 69 ILE H    . . 3.780 3.404 3.317 3.438     .  0 0 "[    .    1    .    2]" 1 
       534 1 67 PHE HA   1 70 ILE H    . . 4.030 3.786 3.725 3.839     .  0 0 "[    .    1    .    2]" 1 
       535 1 69 ILE HB   1 70 ILE H    . . 3.780 3.778 3.757 3.794 0.014  6 0 "[    .    1    .    2]" 1 
       536 1 70 ILE H    1 70 ILE HB   . . 3.720 3.625 3.618 3.631     .  0 0 "[    .    1    .    2]" 1 
       537 1 66 VAL HA   1 70 ILE H    . . 3.840 3.670 3.597 3.763     .  0 0 "[    .    1    .    2]" 1 
       538 1 15 ARG HA   1 18 LYS H    . . 4.070 3.408 3.366 3.470     .  0 0 "[    .    1    .    2]" 1 
       539 1 55 LYS H    1 58 ALA MB   . . 5.040 4.734 4.290 5.058 0.018 18 0 "[    .    1    .    2]" 1 
       540 1 54 ARG QB   1 55 LYS H    . . 3.940 2.799 1.930 3.932     .  0 0 "[    .    1    .    2]" 1 
       541 1 61 ILE HA   1 65 LYS H    . . 4.280 4.083 3.833 4.221     .  0 0 "[    .    1    .    2]" 1 
       542 1 65 LYS H    1 65 LYS QB   . . 2.970 2.132 2.086 2.202     .  0 0 "[    .    1    .    2]" 1 
       543 1 65 LYS H    1 65 LYS QD   . . 3.980 2.341 2.155 2.512     .  0 0 "[    .    1    .    2]" 1 
       544 1 65 LYS H    1 65 LYS QG   . . 3.790 3.667 3.548 3.767     .  0 0 "[    .    1    .    2]" 1 
       545 1 62 GLN HA   1 65 LYS H    . . 4.030 3.707 3.587 3.939     .  0 0 "[    .    1    .    2]" 1 
       546 1 73 GLU HB3  1 74 LYS H    . . 4.250 2.731 2.434 3.224     .  0 0 "[    .    1    .    2]" 1 
       547 1 74 LYS H    1 74 LYS QB   . . 3.420 2.454 2.123 2.661     .  0 0 "[    .    1    .    2]" 1 
       548 1 74 LYS H    1 74 LYS QD   . . 4.340 3.003 2.073 3.307     .  0 0 "[    .    1    .    2]" 1 
       549 1 74 LYS H    1 74 LYS QG   . . 3.930 2.691 1.961 3.958 0.028  7 0 "[    .    1    .    2]" 1 
       550 1 71 SER HA   1 74 LYS H    . . 4.590 4.197 4.082 4.342     .  0 0 "[    .    1    .    2]" 1 
       551 1 72 SER QB   1 74 LYS H    . . 5.110 4.842 4.750 5.038     .  0 0 "[    .    1    .    2]" 1 
       552 1 49 VAL H    1 51 TYR H    . . 4.890 4.402 3.953 4.895 0.005 19 0 "[    .    1    .    2]" 1 
       553 1 17 LEU H    1 19 GLN H    . . 4.660 4.354 4.247 4.399     .  0 0 "[    .    1    .    2]" 1 
       554 1 22 ILE HA   1 25 LEU H    . . 4.210 3.548 3.499 3.616     .  0 0 "[    .    1    .    2]" 1 
       555 1 25 LEU H    1 25 LEU HG   . . 3.380 1.886 1.825 1.930     .  0 0 "[    .    1    .    2]" 1 
       556 1 21 VAL HA   1 25 LEU H    . . 4.630 4.095 4.013 4.149     .  0 0 "[    .    1    .    2]" 1 
       557 1 39 LEU H    1 40 ALA H    . . 3.480 2.697 2.597 2.764     .  0 0 "[    .    1    .    2]" 1 
       558 1 35 ASP HA   1 39 LEU H    . . 5.210 4.669 4.479 4.883     .  0 0 "[    .    1    .    2]" 1 
       559 1 37 GLY H    1 39 LEU H    . . 4.430 4.299 4.169 4.409     .  0 0 "[    .    1    .    2]" 1 
       560 1 38 ILE HB   1 39 LEU H    . . 3.500 2.544 2.429 2.697     .  0 0 "[    .    1    .    2]" 1 
       561 1 39 LEU H    1 39 LEU HG   . . 4.580 4.347 4.061 4.532     .  0 0 "[    .    1    .    2]" 1 
       562 1 39 LEU HA   1 43 LEU H    . . 5.500 3.736 3.592 3.868     .  0 0 "[    .    1    .    2]" 1 
       563 1 43 LEU H    1 44 GLN H    . . 3.420 2.725 2.653 2.838     .  0 0 "[    .    1    .    2]" 1 
       564 1 42 ASP HA   1 46 LEU H    . . 4.600 3.994 3.793 4.134     .  0 0 "[    .    1    .    2]" 1 
       565 1 46 LEU H    1 46 LEU HG   . . 3.430 1.894 1.801 1.959     .  0 0 "[    .    1    .    2]" 1 
       566 1 44 GLN HA   1 46 LEU H    . . 4.600 4.545 4.442 4.601 0.001  6 0 "[    .    1    .    2]" 1 
       567 1 45 ARG H    1 46 LEU H    . . 3.200 2.739 2.646 2.802     .  0 0 "[    .    1    .    2]" 1 
       568 1 45 ARG QB   1 46 LEU H    . . 3.650 2.480 2.395 2.650     .  0 0 "[    .    1    .    2]" 1 
       569 1 46 LEU H    1 47 TYR QD   . . 5.500 5.478 5.355 5.520 0.020  4 0 "[    .    1    .    2]" 1 
       570 1 75 GLU HA   1 76 LEU H    . . 3.340 2.411 2.133 2.933     .  0 0 "[    .    1    .    2]" 1 
       571 1 25 LEU HA   1 28 ASN H    . . 5.500 3.541 3.325 3.691     .  0 0 "[    .    1    .    2]" 1 
       572 1 27 SER H    1 28 ASN H    . . 4.580 2.633 2.410 2.690     .  0 0 "[    .    1    .    2]" 1 
       573 1 24 TYR HA   1 28 ASN H    . . 4.980 4.109 3.691 4.389     .  0 0 "[    .    1    .    2]" 1 
       574 1 16 LYS HA   1 19 GLN H    . . 3.900 3.425 3.314 3.539     .  0 0 "[    .    1    .    2]" 1 
       575 1 19 GLN H    1 19 GLN QB   . . 3.120 2.230 2.185 2.246     .  0 0 "[    .    1    .    2]" 1 
       576 1 15 ARG HA   1 19 GLN H    . . 4.600 4.289 4.013 4.495     .  0 0 "[    .    1    .    2]" 1 
       577 1 22 ILE HB   1 23 GLN H    . . 3.890 3.789 3.717 3.843     .  0 0 "[    .    1    .    2]" 1 
       578 1 22 ILE H    1 23 GLN H    . . 3.470 2.770 2.742 2.799     .  0 0 "[    .    1    .    2]" 1 
       579 1 19 GLN HA   1 23 GLN H    . . 4.240 4.136 4.061 4.213     .  0 0 "[    .    1    .    2]" 1 
       580 1 23 GLN H    1 23 GLN QB   . . 3.190 2.278 2.170 2.416     .  0 0 "[    .    1    .    2]" 1 
       581 1 23 GLN H    1 23 GLN QG   . . 3.890 2.686 2.340 2.957     .  0 0 "[    .    1    .    2]" 1 
       582 1 20 ARG H    1 23 GLN H    . . 5.020 4.817 4.768 4.872     .  0 0 "[    .    1    .    2]" 1 
       583 1 40 ALA HA   1 44 GLN H    . . 4.260 3.982 3.652 4.249     .  0 0 "[    .    1    .    2]" 1 
       584 1 41 SER HA   1 44 GLN H    . . 4.010 3.725 3.582 3.838     .  0 0 "[    .    1    .    2]" 1 
       585 1 41 SER H    1 44 GLN H    . . 5.070 4.769 4.539 4.935     .  0 0 "[    .    1    .    2]" 1 
       586 1 58 ALA HA   1 62 GLN H    . . 5.420 4.300 4.032 4.467     .  0 0 "[    .    1    .    2]" 1 
       587 1 62 GLN H    1 64 GLU H    . . 4.420 3.978 3.858 4.064     .  0 0 "[    .    1    .    2]" 1 
       588 1 59 PHE HA   1 62 GLN H    . . 4.060 3.460 3.320 3.616     .  0 0 "[    .    1    .    2]" 1 
       589 1 61 ILE HB   1 62 GLN H    . . 3.520 2.615 2.321 2.802     .  0 0 "[    .    1    .    2]" 1 
       590 1 62 GLN H    1 62 GLN QB   . . 3.680 2.201 2.040 2.476     .  0 0 "[    .    1    .    2]" 1 
       591 1 62 GLN H    1 62 GLN QG   . . 3.460 2.964 2.116 3.461 0.001  3 0 "[    .    1    .    2]" 1 
       592 1 62 GLN H    1 63 VAL H    . . 3.430 2.725 2.649 2.793     .  0 0 "[    .    1    .    2]" 1 
       593 1 15 ARG H    1 15 ARG QB   . . 3.840 2.167 2.063 2.239     .  0 0 "[    .    1    .    2]" 1 
       594 1 19 GLN H    1 20 ARG H    . . 3.420 2.767 2.711 2.822     .  0 0 "[    .    1    .    2]" 1 
       595 1 19 GLN QB   1 20 ARG H    . . 3.520 2.452 2.365 2.546     .  0 0 "[    .    1    .    2]" 1 
       596 1 20 ARG H    1 21 VAL H    . . 3.530 2.655 2.622 2.694     .  0 0 "[    .    1    .    2]" 1 
       597 1 29 ARG H    1 30 CYS H    . . 4.530 2.643 2.501 2.736     .  0 0 "[    .    1    .    2]" 1 
       598 1 25 LEU HA   1 29 ARG H    . . 5.410 5.193 5.046 5.332     .  0 0 "[    .    1    .    2]" 1 
       599 1 29 ARG H    1 30 CYS HA   . . 5.160 4.899 4.761 4.980     .  0 0 "[    .    1    .    2]" 1 
       600 1 42 ASP HA   1 45 ARG H    . . 4.150 3.374 3.311 3.449     .  0 0 "[    .    1    .    2]" 1 
       601 1 45 ARG H    1 46 LEU HG   . . 4.590 3.883 3.733 3.961     .  0 0 "[    .    1    .    2]" 1 
       602 1 44 GLN H    1 45 ARG H    . . 3.510 2.507 2.480 2.550     .  0 0 "[    .    1    .    2]" 1 
       603 1 45 ARG H    1 45 ARG QB   . . 3.520 2.143 2.040 2.250     .  0 0 "[    .    1    .    2]" 1 
       604 1 43 LEU HA   1 45 ARG H    . . 4.640 4.430 4.301 4.611     .  0 0 "[    .    1    .    2]" 1 
       605 1 53 ARG QB   1 54 ARG H    . . 4.700 2.785 1.920 4.042     .  0 0 "[    .    1    .    2]" 1 
       606 1 54 ARG H    1 54 ARG QB   . . 3.320 2.652 2.054 3.340 0.020  4 0 "[    .    1    .    2]" 1 
       607 1 54 ARG H    1 54 ARG QG   . . 3.790 3.146 2.207 3.683     .  0 0 "[    .    1    .    2]" 1 
       608 1 58 ALA MB   1 60 ARG H    . . 4.950 4.464 4.351 4.630     .  0 0 "[    .    1    .    2]" 1 
       609 1 60 ARG H    1 61 ILE HA   . . 5.500 5.298 5.183 5.394     .  0 0 "[    .    1    .    2]" 1 
       610 1 57 ASN HA   1 60 ARG H    . . 4.000 3.502 3.252 3.700     .  0 0 "[    .    1    .    2]" 1 
       611 1 60 ARG H    1 60 ARG QD   . . 4.420 4.181 3.599 4.397     .  0 0 "[    .    1    .    2]" 1 
       612 1 60 ARG H    1 60 ARG QG   . . 4.260 2.945 2.381 4.012     .  0 0 "[    .    1    .    2]" 1 
       613 1 22 ILE HA   1 26 SER H    . . 4.300 3.903 3.733 4.133     .  0 0 "[    .    1    .    2]" 1 
       614 1 25 LEU HG   1 26 SER H    . . 4.260 3.954 3.903 4.059     .  0 0 "[    .    1    .    2]" 1 
       615 1 25 LEU H    1 26 SER H    . . 3.440 2.568 2.501 2.628     .  0 0 "[    .    1    .    2]" 1 
       616 1 23 GLN HA   1 26 SER H    . . 4.030 3.695 3.571 3.862     .  0 0 "[    .    1    .    2]" 1 
       617 1 26 SER H    1 27 SER H    . . 3.360 2.747 2.623 2.827     .  0 0 "[    .    1    .    2]" 1 
       618 1 40 ALA H    1 41 SER H    . . 3.220 2.781 2.704 2.898     .  0 0 "[    .    1    .    2]" 1 
       619 1 40 ALA MB   1 41 SER H    . . 3.320 2.468 2.320 2.719     .  0 0 "[    .    1    .    2]" 1 
       620 1 38 ILE HA   1 41 SER H    . . 4.000 3.652 3.454 3.867     .  0 0 "[    .    1    .    2]" 1 
       621 1 41 SER H    1 41 SER QB   . . 3.150 2.312 2.085 2.793     .  0 0 "[    .    1    .    2]" 1 
       622 1 44 GLN HA   1 48 SER H    . . 5.380 4.761 4.478 5.045     .  0 0 "[    .    1    .    2]" 1 
       623 1 45 ARG HA   1 48 SER H    . . 4.370 4.253 3.952 4.372 0.002  7 0 "[    .    1    .    2]" 1 
       624 1 48 SER H    1 48 SER QB   . . 3.380 2.484 2.107 2.888     .  0 0 "[    .    1    .    2]" 1 
       625 1 47 TYR HA   1 48 SER H    . . 3.560 2.714 2.617 2.886     .  0 0 "[    .    1    .    2]" 1 
       626 1 47 TYR H    1 48 SER H    . . 4.190 3.003 2.712 3.136     .  0 0 "[    .    1    .    2]" 1 
       627 1 48 SER H    1 51 TYR H    . . 4.950 4.796 4.450 4.960 0.010  9 0 "[    .    1    .    2]" 1 
       628 1 67 PHE HA   1 68 SER H    . . 3.560 3.528 3.520 3.536     .  0 0 "[    .    1    .    2]" 1 
       629 1 67 PHE H    1 68 SER H    . . 3.410 2.558 2.527 2.606     .  0 0 "[    .    1    .    2]" 1 
       630 1 68 SER H    1 69 ILE HB   . . 4.690 4.717 4.705 4.728 0.038 15 0 "[    .    1    .    2]" 1 
       631 1 68 SER H    1 69 ILE H    . . 3.490 2.490 2.483 2.498     .  0 0 "[    .    1    .    2]" 1 
       632 1 65 LYS HA   1 68 SER H    . . 3.730 3.476 3.349 3.585     .  0 0 "[    .    1    .    2]" 1 
       633 1 70 ILE HB   1 71 SER H    . . 3.850 3.755 3.685 3.789     .  0 0 "[    .    1    .    2]" 1 
       634 1 70 ILE H    1 71 SER H    . . 2.910 2.755 2.710 2.792     .  0 0 "[    .    1    .    2]" 1 
       635 1 68 SER HA   1 71 SER H    . . 3.930 3.856 3.803 3.928     .  0 0 "[    .    1    .    2]" 1 
       636 1 71 SER H    1 72 SER QB   . . 4.410 4.386 4.267 4.425 0.015 17 0 "[    .    1    .    2]" 1 
       637 1 72 SER H    1 73 GLU H    . . 3.680 2.618 2.549 2.666     .  0 0 "[    .    1    .    2]" 1 
       638 1 69 ILE HA   1 72 SER H    . . 4.340 3.379 3.244 3.492     .  0 0 "[    .    1    .    2]" 1 
       639 1 68 SER HA   1 72 SER H    . . 4.580 4.484 4.374 4.590 0.010  2 0 "[    .    1    .    2]" 1 
       640 1 71 SER H    1 72 SER H    . . 3.800 2.616 2.515 2.694     .  0 0 "[    .    1    .    2]" 1 
       641 1 72 SER H    1 72 SER QB   . . 3.900 2.163 2.077 2.269     .  0 0 "[    .    1    .    2]" 1 
       642 1 55 LYS QG   1 59 PHE H    . . 4.770 4.317 3.520 4.777 0.007  4 0 "[    .    1    .    2]" 1 
       643 1 21 VAL H    1 22 ILE H    . . 3.460 2.756 2.722 2.780     .  0 0 "[    .    1    .    2]" 1 
       644 1 17 LEU HA   1 21 VAL H    . . 4.410 3.899 3.819 4.047     .  0 0 "[    .    1    .    2]" 1 
       645 1 19 GLN H    1 21 VAL H    . . 4.430 4.164 4.101 4.253     .  0 0 "[    .    1    .    2]" 1 
       646 1 21 VAL H    1 21 VAL HB   . . 3.240 2.310 2.287 2.336     .  0 0 "[    .    1    .    2]" 1 
       647 1 34 VAL H    1 34 VAL HB   . . 3.350 2.639 2.503 3.068     .  0 0 "[    .    1    .    2]" 1 
       648 1 49 VAL H    1 52 GLY H    . . 5.090 4.531 4.086 5.091 0.001  6 0 "[    .    1    .    2]" 1 
       649 1 48 SER H    1 49 VAL H    . . 4.500 2.672 2.572 2.767     .  0 0 "[    .    1    .    2]" 1 
       650 1 49 VAL H    1 49 VAL HB   . . 3.830 2.964 2.512 3.627     .  0 0 "[    .    1    .    2]" 1 
       651 1 59 PHE HA   1 63 VAL H    . . 4.710 4.178 3.822 4.383     .  0 0 "[    .    1    .    2]" 1 
       652 1 62 GLN QB   1 63 VAL H    . . 4.310 2.605 2.448 3.334     .  0 0 "[    .    1    .    2]" 1 
       653 1 60 ARG HA   1 63 VAL H    . . 4.520 3.620 3.511 3.888     .  0 0 "[    .    1    .    2]" 1 
       654 1 63 VAL H    1 63 VAL HB   . . 3.180 2.627 2.574 2.658     .  0 0 "[    .    1    .    2]" 1 
       655 1 64 GLU HA   1 66 VAL H    . . 4.680 4.462 4.328 4.680 0.000  5 0 "[    .    1    .    2]" 1 
       656 1 65 LYS H    1 66 VAL H    . . 3.480 2.481 2.451 2.555     .  0 0 "[    .    1    .    2]" 1 
       657 1 65 LYS QB   1 66 VAL H    . . 3.390 2.804 2.644 2.872     .  0 0 "[    .    1    .    2]" 1 
       658 1 62 GLN HA   1 66 VAL H    . . 4.460 4.038 3.701 4.276     .  0 0 "[    .    1    .    2]" 1 
       659 1 66 VAL H    1 68 SER H    . . 4.670 4.174 4.062 4.295     .  0 0 "[    .    1    .    2]" 1 
       660 1 63 VAL HA   1 66 VAL H    . . 4.040 3.358 3.228 3.557     .  0 0 "[    .    1    .    2]" 1 
       661 1 66 VAL H    1 66 VAL HB   . . 3.300 2.308 2.271 2.341     .  0 0 "[    .    1    .    2]" 1 
       662 1 22 ILE H    1 24 TYR H    . . 5.040 4.102 4.056 4.159     .  0 0 "[    .    1    .    2]" 1 
       663 1 24 TYR H    1 25 LEU H    . . 3.400 2.554 2.520 2.625     .  0 0 "[    .    1    .    2]" 1 
       664 1 23 GLN H    1 24 TYR H    . . 3.430 2.499 2.489 2.511     .  0 0 "[    .    1    .    2]" 1 
       665 1 23 GLN QB   1 24 TYR H    . . 3.720 2.793 2.696 2.826     .  0 0 "[    .    1    .    2]" 1 
       666 1 24 TYR H    1 26 SER H    . . 4.240 4.105 3.926 4.227     .  0 0 "[    .    1    .    2]" 1 
       667 1 21 VAL HA   1 24 TYR H    . . 3.960 3.285 3.263 3.312     .  0 0 "[    .    1    .    2]" 1 
       668 1 24 TYR H    1 24 TYR QD   . . 3.940 3.588 2.585 3.910     .  0 0 "[    .    1    .    2]" 1 
       669 1 32 LYS QB   1 33 TYR H    . . 3.860 2.702 1.926 3.867 0.007  1 0 "[    .    1    .    2]" 1 
       670 1 33 TYR H    1 34 VAL H    . . 4.220 3.156 2.539 4.222 0.002 10 0 "[    .    1    .    2]" 1 
       671 1 43 LEU HA   1 47 TYR H    . . 4.470 4.183 3.957 4.462     .  0 0 "[    .    1    .    2]" 1 
       672 1 43 LEU HG   1 47 TYR H    . . 5.500 5.151 4.818 5.498     .  0 0 "[    .    1    .    2]" 1 
       673 1 46 LEU HG   1 47 TYR H    . . 4.540 2.315 2.127 2.452     .  0 0 "[    .    1    .    2]" 1 
       674 1 46 LEU H    1 47 TYR H    . . 3.420 2.508 2.453 2.565     .  0 0 "[    .    1    .    2]" 1 
       675 1 44 GLN HA   1 47 TYR H    . . 4.900 3.382 3.296 3.474     .  0 0 "[    .    1    .    2]" 1 
       676 1 45 ARG H    1 47 TYR H    . . 4.450 3.917 3.798 4.007     .  0 0 "[    .    1    .    2]" 1 
       677 1 48 SER HA   1 51 TYR H    . . 4.540 4.103 3.450 4.467     .  0 0 "[    .    1    .    2]" 1 
       678 1 51 TYR H    1 51 TYR QB   . . 3.680 2.293 2.184 2.497     .  0 0 "[    .    1    .    2]" 1 
       679 1 51 TYR H    1 51 TYR QD   . . 4.050 3.233 1.981 3.823     .  0 0 "[    .    1    .    2]" 1 
       680 1 37 GLY HA3  1 40 ALA H    . . 5.240 4.922 4.723 5.066     .  0 0 "[    .    1    .    2]" 1 
       681 1 39 LEU HB2  1 40 ALA H    . . 3.960 3.721 3.424 3.960     .  0 0 "[    .    1    .    2]" 1 
       682 1 39 LEU HB3  1 40 ALA H    . . 3.960 2.556 2.409 2.717     .  0 0 "[    .    1    .    2]" 1 
       683 1 40 ALA H    1 63 VAL MG1  . . 4.580 2.538 2.135 3.369     .  0 0 "[    .    1    .    2]" 1 
       684 1 40 ALA H    1 63 VAL MG2  . . 4.580 3.815 3.184 4.195     .  0 0 "[    .    1    .    2]" 1 
       685 1 35 ASP H    1 35 ASP HB2  . . 3.610 2.287 2.082 2.503     .  0 0 "[    .    1    .    2]" 1 
       686 1 35 ASP H    1 35 ASP HB3  . . 3.610 3.178 2.894 3.612 0.002 17 0 "[    .    1    .    2]" 1 
       687 1 42 ASP H    1 42 ASP HB2  . . 3.660 2.276 2.137 2.554     .  0 0 "[    .    1    .    2]" 1 
       688 1 42 ASP H    1 42 ASP HB3  . . 3.660 3.092 2.536 3.582     .  0 0 "[    .    1    .    2]" 1 
       689 1 38 ILE MG   1 42 ASP H    . . 4.290 4.028 3.688 4.222     .  0 0 "[    .    1    .    2]" 1 
       690 1 47 TYR HB3  1 50 ASP H    . . 4.370 3.344 3.077 3.684     .  0 0 "[    .    1    .    2]" 1 
       691 1 64 GLU H    1 64 GLU HB2  . . 3.750 2.301 2.142 2.530     .  0 0 "[    .    1    .    2]" 1 
       692 1 61 ILE MG   1 64 GLU H    . . 4.770 4.526 4.431 4.648     .  0 0 "[    .    1    .    2]" 1 
       693 1 63 VAL MG1  1 64 GLU H    . . 4.150 3.565 2.072 3.797     .  0 0 "[    .    1    .    2]" 1 
       694 1 63 VAL MG2  1 64 GLU H    . . 4.150 3.773 3.727 3.802     .  0 0 "[    .    1    .    2]" 1 
       695 1 73 GLU H    1 73 GLU HG2  . . 4.590 3.920 2.704 4.578     .  0 0 "[    .    1    .    2]" 1 
       696 1 73 GLU H    1 73 GLU HG3  . . 4.590 3.992 2.738 4.505     .  0 0 "[    .    1    .    2]" 1 
       697 1 75 GLU H    1 75 GLU HB3  . . 4.120 4.009 2.953 4.099     .  0 0 "[    .    1    .    2]" 1 
       698 1 75 GLU H    1 75 GLU HG2  . . 4.760 3.863 2.610 4.623     .  0 0 "[    .    1    .    2]" 1 
       699 1 75 GLU H    1 75 GLU HG3  . . 4.760 3.645 2.857 4.730     .  0 0 "[    .    1    .    2]" 1 
       700 1 59 PHE H    1 59 PHE HB2  . . 3.560 2.394 2.094 2.548     .  0 0 "[    .    1    .    2]" 1 
       701 1 59 PHE H    1 59 PHE HB3  . . 3.560 2.688 2.527 3.137     .  0 0 "[    .    1    .    2]" 1 
       702 1 67 PHE H    1 67 PHE HB3  . . 3.240 2.564 2.490 2.665     .  0 0 "[    .    1    .    2]" 1 
       703 1 67 PHE H    1 67 PHE HB2  . . 3.290 2.525 2.429 2.606     .  0 0 "[    .    1    .    2]" 1 
       704 1 66 VAL MG2  1 67 PHE H    . . 4.270 4.140 4.121 4.169     .  0 0 "[    .    1    .    2]" 1 
       705 1 66 VAL MG1  1 67 PHE H    . . 3.930 3.365 3.280 3.417     .  0 0 "[    .    1    .    2]" 1 
       706 1 36 THR MG   1 37 GLY H    . . 4.210 3.793 3.591 3.968     .  0 0 "[    .    1    .    2]" 1 
       707 1 22 ILE H    1 22 ILE MD   . . 4.140 3.720 3.653 3.778     .  0 0 "[    .    1    .    2]" 1 
       708 1 22 ILE H    1 70 ILE MD   . . 4.550 4.081 3.947 4.142     .  0 0 "[    .    1    .    2]" 1 
       709 1 38 ILE H    1 38 ILE MD   . . 3.630 3.397 1.890 3.632 0.002  2 0 "[    .    1    .    2]" 1 
       710 1 38 ILE H    1 38 ILE MG   . . 3.770 3.771 3.753 3.778 0.008 19 0 "[    .    1    .    2]" 1 
       711 1 61 ILE H    1 61 ILE MD   . . 3.650 3.047 2.809 3.361     .  0 0 "[    .    1    .    2]" 1 
       712 1 61 ILE H    1 61 ILE MG   . . 3.960 3.768 3.765 3.777     .  0 0 "[    .    1    .    2]" 1 
       713 1 60 ARG HB2  1 61 ILE H    . . 3.690 2.881 2.441 3.625     .  0 0 "[    .    1    .    2]" 1 
       714 1 60 ARG HB3  1 61 ILE H    . . 3.660 3.198 2.557 3.610     .  0 0 "[    .    1    .    2]" 1 
       715 1 69 ILE H    1 69 ILE MG   . . 3.510 2.227 2.192 2.285     .  0 0 "[    .    1    .    2]" 1 
       716 1 66 VAL MG2  1 69 ILE H    . . 5.200 5.046 4.996 5.070     .  0 0 "[    .    1    .    2]" 1 
       717 1 66 VAL MG1  1 69 ILE H    . . 4.600 4.611 4.550 4.623 0.023  5 0 "[    .    1    .    2]" 1 
       718 1 70 ILE H    1 70 ILE QG   . . 3.510 2.046 1.975 2.085     .  0 0 "[    .    1    .    2]" 1 
       719 1 18 LYS H    1 18 LYS HB2  . . 3.460 2.426 2.290 2.542     .  0 0 "[    .    1    .    2]" 1 
       720 1 18 LYS H    1 18 LYS HB3  . . 3.520 2.676 2.555 2.823     .  0 0 "[    .    1    .    2]" 1 
       721 1 18 LYS H    1 18 LYS HG3  . . 4.600 4.416 4.251 4.529     .  0 0 "[    .    1    .    2]" 1 
       722 1 17 LEU HB2  1 18 LYS H    . . 4.130 3.520 3.468 3.576     .  0 0 "[    .    1    .    2]" 1 
       723 1 17 LEU HB3  1 18 LYS H    . . 4.130 2.646 2.504 2.752     .  0 0 "[    .    1    .    2]" 1 
       724 1 17 LEU MD2  1 18 LYS H    . . 4.920 4.716 4.667 4.749     .  0 0 "[    .    1    .    2]" 1 
       725 1 18 LYS H    1 66 VAL MG1  . . 4.390 3.031 2.868 3.149     .  0 0 "[    .    1    .    2]" 1 
       726 1 64 GLU HB2  1 65 LYS H    . . 3.660 2.585 2.414 2.747     .  0 0 "[    .    1    .    2]" 1 
       727 1 64 GLU HB3  1 65 LYS H    . . 3.720 3.284 3.047 3.510     .  0 0 "[    .    1    .    2]" 1 
       728 1 61 ILE MG   1 65 LYS H    . . 4.420 3.838 3.593 4.037     .  0 0 "[    .    1    .    2]" 1 
       729 1 73 GLU HB2  1 74 LYS H    . . 4.250 3.172 2.614 3.849     .  0 0 "[    .    1    .    2]" 1 
       730 1 25 LEU H    1 25 LEU HB3  . . 3.770 3.594 3.584 3.601     .  0 0 "[    .    1    .    2]" 1 
       731 1 25 LEU H    1 25 LEU HB2  . . 3.630 2.811 2.746 2.881     .  0 0 "[    .    1    .    2]" 1 
       732 1 25 LEU H    1 25 LEU MD1  . . 4.090 2.895 2.843 2.954     .  0 0 "[    .    1    .    2]" 1 
       733 1 24 TYR HB3  1 25 LEU H    . . 4.040 3.227 2.993 3.389     .  0 0 "[    .    1    .    2]" 1 
       734 1 24 TYR HB2  1 25 LEU H    . . 3.840 2.973 2.852 3.270     .  0 0 "[    .    1    .    2]" 1 
       735 1 38 ILE MG   1 39 LEU H    . . 3.700 3.549 3.312 3.664     .  0 0 "[    .    1    .    2]" 1 
       736 1 39 LEU H    1 39 LEU HB2  . . 3.340 2.388 2.145 2.599     .  0 0 "[    .    1    .    2]" 1 
       737 1 39 LEU H    1 39 LEU HB3  . . 3.340 2.661 2.428 2.977     .  0 0 "[    .    1    .    2]" 1 
       738 1 42 ASP HB2  1 43 LEU H    . . 4.000 3.241 2.570 3.843     .  0 0 "[    .    1    .    2]" 1 
       739 1 42 ASP HB3  1 43 LEU H    . . 4.000 2.828 2.444 3.517     .  0 0 "[    .    1    .    2]" 1 
       740 1 43 LEU H    1 43 LEU HB3  . . 3.440 2.992 2.892 3.116     .  0 0 "[    .    1    .    2]" 1 
       741 1 43 LEU H    1 43 LEU MD2  . . 4.490 4.174 4.115 4.255     .  0 0 "[    .    1    .    2]" 1 
       742 1 46 LEU H    1 46 LEU MD2  . . 4.080 2.896 2.659 3.153     .  0 0 "[    .    1    .    2]" 1 
       743 1 75 GLU HB2  1 76 LEU H    . . 4.740 4.089 1.957 4.638     .  0 0 "[    .    1    .    2]" 1 
       744 1 75 GLU HB3  1 76 LEU H    . . 4.740 3.371 1.994 4.319     .  0 0 "[    .    1    .    2]" 1 
       745 1 76 LEU H    1 76 LEU MD1  . . 4.790 3.807 2.326 4.793 0.003 20 0 "[    .    1    .    2]" 1 
       746 1 76 LEU H    1 76 LEU MD2  . . 4.790 3.795 1.882 4.648     .  0 0 "[    .    1    .    2]" 1 
       747 1 19 GLN H    1 22 ILE MD   . . 4.350 4.168 4.023 4.313     .  0 0 "[    .    1    .    2]" 1 
       748 1 18 LYS HB2  1 19 GLN H    . . 3.970 3.606 3.465 3.705     .  0 0 "[    .    1    .    2]" 1 
       749 1 18 LYS HB3  1 19 GLN H    . . 3.600 2.348 2.313 2.458     .  0 0 "[    .    1    .    2]" 1 
       750 1 18 LYS HG2  1 19 GLN H    . . 4.680 4.006 3.842 4.156     .  0 0 "[    .    1    .    2]" 1 
       751 1 19 GLN H    1 19 GLN HG3  . . 4.600 4.421 4.396 4.468     .  0 0 "[    .    1    .    2]" 1 
       752 1 19 GLN H    1 19 GLN HG2  . . 4.670 4.599 4.536 4.634     .  0 0 "[    .    1    .    2]" 1 
       753 1 22 ILE MG   1 23 GLN H    . . 3.980 3.923 3.890 3.959     .  0 0 "[    .    1    .    2]" 1 
       754 1 22 ILE HG13 1 23 GLN H    . . 4.840 2.165 2.066 2.218     .  0 0 "[    .    1    .    2]" 1 
       755 1 43 LEU HB3  1 44 GLN H    . . 3.570 2.677 2.458 2.888     .  0 0 "[    .    1    .    2]" 1 
       756 1 44 GLN H    1 44 GLN HB3  . . 3.840 2.814 2.531 3.524     .  0 0 "[    .    1    .    2]" 1 
       757 1 44 GLN H    1 44 GLN HB2  . . 3.840 2.825 2.139 3.613     .  0 0 "[    .    1    .    2]" 1 
       758 1 44 GLN H    1 44 GLN HG3  . . 4.630 3.493 1.961 4.485     .  0 0 "[    .    1    .    2]" 1 
       759 1 61 ILE MD   1 62 GLN H    . . 4.450 4.163 4.022 4.332     .  0 0 "[    .    1    .    2]" 1 
       760 1 61 ILE MG   1 62 GLN H    . . 3.890 3.607 3.423 3.744     .  0 0 "[    .    1    .    2]" 1 
       761 1 20 ARG H    1 21 VAL MG2  . . 5.040 4.569 4.497 4.659     .  0 0 "[    .    1    .    2]" 1 
       762 1 44 GLN HB2  1 45 ARG H    . . 4.350 3.653 2.823 3.961     .  0 0 "[    .    1    .    2]" 1 
       763 1 44 GLN HB3  1 45 ARG H    . . 4.350 3.353 2.694 4.060     .  0 0 "[    .    1    .    2]" 1 
       764 1 59 PHE HB2  1 60 ARG H    . . 4.250 3.798 3.454 3.963     .  0 0 "[    .    1    .    2]" 1 
       765 1 59 PHE HB3  1 60 ARG H    . . 4.250 2.653 2.493 2.907     .  0 0 "[    .    1    .    2]" 1 
       766 1 60 ARG H    1 60 ARG HB2  . . 3.320 2.272 2.099 2.423     .  0 0 "[    .    1    .    2]" 1 
       767 1 60 ARG H    1 60 ARG HB3  . . 3.590 3.396 2.843 3.580     .  0 0 "[    .    1    .    2]" 1 
       768 1 25 LEU HB3  1 26 SER H    . . 4.200 3.848 3.716 3.996     .  0 0 "[    .    1    .    2]" 1 
       769 1 25 LEU HB2  1 26 SER H    . . 3.810 2.535 2.361 2.780     .  0 0 "[    .    1    .    2]" 1 
       770 1 25 LEU MD1  1 26 SER H    . . 4.570 3.601 3.421 3.926     .  0 0 "[    .    1    .    2]" 1 
       771 1 47 TYR HB3  1 48 SER H    . . 4.580 4.353 4.325 4.375     .  0 0 "[    .    1    .    2]" 1 
       772 1 67 PHE HB3  1 68 SER H    . . 3.820 2.631 2.576 2.709     .  0 0 "[    .    1    .    2]" 1 
       773 1 67 PHE HB2  1 68 SER H    . . 4.140 3.855 3.749 3.930     .  0 0 "[    .    1    .    2]" 1 
       774 1 36 THR MG   1 68 SER H    . . 4.610 3.898 3.547 4.268     .  0 0 "[    .    1    .    2]" 1 
       775 1 68 SER H    1 69 ILE MG   . . 5.070 3.960 3.891 4.014     .  0 0 "[    .    1    .    2]" 1 
       776 1 70 ILE QG   1 71 SER H    . . 4.350 2.112 2.004 2.151     .  0 0 "[    .    1    .    2]" 1 
       777 1 70 ILE MG   1 71 SER H    . . 4.050 3.978 3.929 4.018     .  0 0 "[    .    1    .    2]" 1 
       778 1 21 VAL H    1 21 VAL MG1  . . 4.350 3.703 3.687 3.716     .  0 0 "[    .    1    .    2]" 1 
       779 1 21 VAL H    1 21 VAL MG2  . . 2.960 2.553 2.488 2.653     .  0 0 "[    .    1    .    2]" 1 
       780 1 34 VAL H    1 34 VAL MG1  . . 3.940 2.507 1.957 3.860     .  0 0 "[    .    1    .    2]" 1 
       781 1 34 VAL H    1 34 VAL MG2  . . 3.940 3.345 1.945 3.874     .  0 0 "[    .    1    .    2]" 1 
       782 1 33 TYR HB2  1 34 VAL H    . . 4.480 4.357 3.546 4.492 0.012 17 0 "[    .    1    .    2]" 1 
       783 1 33 TYR HB3  1 34 VAL H    . . 4.480 4.265 3.822 4.478     .  0 0 "[    .    1    .    2]" 1 
       784 1 17 LEU MD1  1 63 VAL H    . . 4.440 4.018 3.738 4.221     .  0 0 "[    .    1    .    2]" 1 
       785 1 63 VAL H    1 63 VAL MG1  . . 3.890 3.598 2.055 3.774     .  0 0 "[    .    1    .    2]" 1 
       786 1 63 VAL H    1 63 VAL MG2  . . 3.890 2.236 1.945 3.782     .  0 0 "[    .    1    .    2]" 1 
       787 1 66 VAL H    1 67 PHE HB3  . . 5.080 4.876 4.759 5.041     .  0 0 "[    .    1    .    2]" 1 
       788 1 66 VAL H    1 69 ILE MG   . . 4.580 4.036 3.962 4.103     .  0 0 "[    .    1    .    2]" 1 
       789 1 66 VAL H    1 66 VAL MG2  . . 3.900 2.689 2.611 2.752     .  0 0 "[    .    1    .    2]" 1 
       790 1 66 VAL H    1 66 VAL MG1  . . 3.700 3.698 3.668 3.717 0.017  5 0 "[    .    1    .    2]" 1 
       791 1 24 TYR H    1 24 TYR HB3  . . 3.530 3.420 3.243 3.507     .  0 0 "[    .    1    .    2]" 1 
       792 1 24 TYR H    1 24 TYR HB2  . . 3.400 2.141 2.085 2.205     .  0 0 "[    .    1    .    2]" 1 
       793 1 33 TYR H    1 33 TYR HB2  . . 4.180 3.022 2.304 3.844     .  0 0 "[    .    1    .    2]" 1 
       794 1 33 TYR H    1 33 TYR HB3  . . 4.180 3.633 2.883 4.096     .  0 0 "[    .    1    .    2]" 1 
       795 1 46 LEU MD2  1 47 TYR H    . . 4.670 3.987 3.847 4.104     .  0 0 "[    .    1    .    2]" 1 
       796 1 47 TYR H    1 47 TYR HB3  . . 4.050 3.601 3.469 3.675     .  0 0 "[    .    1    .    2]" 1 
       797 1 47 TYR H    1 47 TYR HB2  . . 3.870 2.412 2.292 2.493     .  0 0 "[    .    1    .    2]" 1 
       798 1 47 TYR HB2  1 51 TYR H    . . 4.550 3.753 3.159 4.549     .  0 0 "[    .    1    .    2]" 1 
       799 1 22 ILE H    1 22 ILE HG12 . . 3.450 2.214 2.168 2.258     .  0 0 "[    .    1    .    2]" 1 
       800 1 38 ILE H    1 38 ILE HG12 . . 4.090 3.301 3.170 3.894     .  0 0 "[    .    1    .    2]" 1 
       801 1 38 ILE H    1 38 ILE HG13 . . 4.090 2.149 1.987 3.573     .  0 0 "[    .    1    .    2]" 1 
       802 1 61 ILE H    1 61 ILE HG12 . . 4.000 3.525 3.405 3.587     .  0 0 "[    .    1    .    2]" 1 
       803 1 61 ILE H    1 61 ILE HG13 . . 3.460 1.989 1.960 2.037     .  0 0 "[    .    1    .    2]" 1 
       804 1 61 ILE HG13 1 62 GLN H    . . 4.420 4.160 4.006 4.200     .  0 0 "[    .    1    .    2]" 1 
       805 1 60 ARG H    1 61 ILE HG13 . . 4.740 4.224 3.896 4.423     .  0 0 "[    .    1    .    2]" 1 
       806 1 23 GLN QB   1 23 GLN HE22 . . 4.550 3.876 3.244 4.226     .  0 0 "[    .    1    .    2]" 1 
       807 1 62 GLN QB   1 62 GLN HE22 . . 4.890 3.742 3.182 4.373     .  0 0 "[    .    1    .    2]" 1 
       808 1 24 TYR HA   1 27 SER H    . . 4.190 3.853 3.621 3.959     .  0 0 "[    .    1    .    2]" 1 
       809 1 26 SER QB   1 27 SER H    . . 3.730 2.501 2.361 3.253     .  0 0 "[    .    1    .    2]" 1 
       810 1 33 TYR H    1 33 TYR QD   . . 4.430 3.526 2.315 4.428     .  0 0 "[    .    1    .    2]" 1 
       811 1 24 TYR QD   1 25 LEU H    . . 4.860 4.621 4.502 4.654     .  0 0 "[    .    1    .    2]" 1 
       812 1 17 LEU H    1 17 LEU MD1  . . 4.360 4.220 4.203 4.230     .  0 0 "[    .    1    .    2]" 1 
       813 1 17 LEU H    1 17 LEU MD2  . . 3.860 3.502 3.373 3.614     .  0 0 "[    .    1    .    2]" 1 
       814 1 17 LEU H    1 17 LEU HG   . . 4.690 4.543 4.501 4.563     .  0 0 "[    .    1    .    2]" 1 
       815 1 17 LEU H    1 17 LEU HB3  . . 3.920 2.957 2.908 3.016     .  0 0 "[    .    1    .    2]" 1 
       816 1 16 LYS QD   1 17 LEU H    . . 4.900 4.407 3.849 4.919 0.019 14 0 "[    .    1    .    2]" 1 
       817 1 16 LYS HB2  1 17 LEU H    . . 3.840 3.082 2.767 3.816     .  0 0 "[    .    1    .    2]" 1 
       818 1 17 LEU H    1 17 LEU HB2  . . 3.920 2.149 2.115 2.182     .  0 0 "[    .    1    .    2]" 1 
       819 1 16 LYS HB3  1 17 LEU H    . . 3.840 3.491 3.279 3.900 0.060  8 0 "[    .    1    .    2]" 1 
       820 1 17 LEU H    1 18 LYS H    . . 3.410 2.750 2.729 2.772     .  0 0 "[    .    1    .    2]" 1 
       821 1 24 TYR HA   1 28 ASN HD21 . . 4.630 4.300 3.322 4.634 0.004  6 0 "[    .    1    .    2]" 1 
       822 1 24 TYR HA   1 28 ASN HD22 . . 4.630 3.754 3.146 4.635 0.005  4 0 "[    .    1    .    2]" 1 
       823 1 23 GLN HA   1 27 SER H    . . 4.390 3.755 3.593 4.356     .  0 0 "[    .    1    .    2]" 1 
       824 1  7 PRO QB   1  8 ARG H    . . 4.000 3.136 1.933 4.011 0.011 16 0 "[    .    1    .    2]" 1 
       825 1 11 VAL H    1 11 VAL QG   . . 3.900 2.242 1.831 2.719     .  0 0 "[    .    1    .    2]" 1 
       826 1 13 VAL H    1 13 VAL QG   . . 3.510 2.415 1.961 3.154     .  0 0 "[    .    1    .    2]" 1 
       827 1 13 VAL QG   1 14 ASP H    . . 4.420 2.907 1.913 3.760     .  0 0 "[    .    1    .    2]" 1 
       828 1 14 ASP QB   1 62 GLN QG   . . 4.030 2.933 2.024 4.035 0.005  8 0 "[    .    1    .    2]" 1 
       829 1 15 ARG H    1 15 ARG QG   . . 4.730 3.937 3.788 4.032     .  0 0 "[    .    1    .    2]" 1 
       830 1 15 ARG QG   1 18 LYS HB2  . . 4.280 4.240 4.041 4.291 0.011  7 0 "[    .    1    .    2]" 1 
       831 1 15 ARG QG   1 18 LYS HB3  . . 3.740 3.327 3.042 3.680     .  0 0 "[    .    1    .    2]" 1 
       832 1 15 ARG QG   1 18 LYS QE   . . 4.620 3.749 3.015 4.618     .  0 0 "[    .    1    .    2]" 1 
       833 1 15 ARG QG   1 19 GLN H    . . 4.330 3.812 3.484 4.333 0.003 12 0 "[    .    1    .    2]" 1 
       834 1 16 LYS QB   1 19 GLN QB   . . 5.180 4.272 3.948 4.428     .  0 0 "[    .    1    .    2]" 1 
       835 1 16 LYS QB   1 20 ARG HB2  . . 3.370 3.382 3.374 3.397 0.027  8 0 "[    .    1    .    2]" 1 
       836 1 16 LYS QG   1 20 ARG HB2  . . 4.390 4.255 3.835 4.399 0.009  2 0 "[    .    1    .    2]" 1 
       837 1 17 LEU H    1 17 LEU QB   . . 3.280 2.100 2.076 2.123     .  0 0 "[    .    1    .    2]" 1 
       838 1 17 LEU QB   1 18 LYS H    . . 3.540 2.573 2.450 2.656     .  0 0 "[    .    1    .    2]" 1 
       839 1 17 LEU QB   1 63 VAL HA   . . 4.520 4.193 3.798 4.520 0.000 18 0 "[    .    1    .    2]" 1 
       840 1 17 LEU QB   1 66 VAL MG1  . . 4.360 2.604 2.417 2.769     .  0 0 "[    .    1    .    2]" 1 
       841 1 17 LEU MD1  1 39 LEU QD   . . 3.810 3.280 3.003 3.628     .  0 0 "[    .    1    .    2]" 1 
       842 1 17 LEU MD1  1 63 VAL QG   . . 2.970 2.040 1.815 2.237     .  0 0 "[    .    1    .    2]" 1 
       843 1 18 LYS QD   1 73 GLU QB   . . 3.700 3.464 3.235 3.707 0.007 13 0 "[    .    1    .    2]" 1 
       844 1 18 LYS QE   1 22 ILE MD   . . 3.470 2.514 1.953 2.956     .  0 0 "[    .    1    .    2]" 1 
       845 1 18 LYS QE   1 69 ILE MG   . . 4.840 4.379 4.163 4.637     .  0 0 "[    .    1    .    2]" 1 
       846 1 18 LYS QE   1 70 ILE MG   . . 4.520 3.527 3.196 3.715     .  0 0 "[    .    1    .    2]" 1 
       847 1 18 LYS QE   1 74 LYS QD   . . 4.260 3.152 2.332 3.952     .  0 0 "[    .    1    .    2]" 1 
       848 1 21 VAL HA   1 39 LEU QD   . . 3.490 3.391 3.221 3.505 0.015  8 0 "[    .    1    .    2]" 1 
       849 1 21 VAL MG2  1 39 LEU QB   . . 4.820 4.161 3.880 4.396     .  0 0 "[    .    1    .    2]" 1 
       850 1 21 VAL MG2  1 39 LEU QD   . . 2.800 1.842 1.771 1.982     .  0 0 "[    .    1    .    2]" 1 
       851 1 21 VAL MG2  1 63 VAL QG   . . 3.240 2.931 2.385 3.206     .  0 0 "[    .    1    .    2]" 1 
       852 1 23 GLN HA   1 27 SER QB   . . 4.930 4.398 3.936 4.928     .  0 0 "[    .    1    .    2]" 1 
       853 1 23 GLN QB   1 27 SER QB   . . 5.340 4.159 3.771 4.631     .  0 0 "[    .    1    .    2]" 1 
       854 1 24 TYR HA   1 27 SER QB   . . 4.290 3.046 2.780 3.792     .  0 0 "[    .    1    .    2]" 1 
       855 1 24 TYR HB3  1 30 CYS QB   . . 3.870 3.445 3.021 3.776     .  0 0 "[    .    1    .    2]" 1 
       856 1 24 TYR QD   1 30 CYS QB   . . 5.090 4.259 3.740 4.690     .  0 0 "[    .    1    .    2]" 1 
       857 1 24 TYR QD   1 39 LEU QD   . . 4.120 4.059 3.731 4.127 0.007  2 0 "[    .    1    .    2]" 1 
       858 1 25 LEU MD1  1 34 VAL QG   . . 4.860 4.708 4.472 4.867 0.007 12 0 "[    .    1    .    2]" 1 
       859 1 25 LEU MD2  1 34 VAL QG   . . 4.100 2.806 2.552 3.132     .  0 0 "[    .    1    .    2]" 1 
       860 1 26 SER H    1 27 SER QB   . . 4.910 4.533 4.293 4.913 0.003  1 0 "[    .    1    .    2]" 1 
       861 1 27 SER H    1 27 SER QB   . . 3.230 2.225 2.053 2.456     .  0 0 "[    .    1    .    2]" 1 
       862 1 27 SER QB   1 28 ASN H    . . 4.210 2.771 2.563 3.454     .  0 0 "[    .    1    .    2]" 1 
       863 1 30 CYS QB   1 34 VAL QG   . . 3.960 2.958 2.289 3.864     .  0 0 "[    .    1    .    2]" 1 
       864 1 30 CYS QB   1 39 LEU QD   . . 4.920 4.025 3.268 4.810     .  0 0 "[    .    1    .    2]" 1 
       865 1 31 GLY HA3  1 34 VAL QG   . . 4.060 3.471 2.899 3.950     .  0 0 "[    .    1    .    2]" 1 
       866 1 33 TYR H    1 33 TYR QB   . . 3.350 2.837 2.264 3.362 0.012 18 0 "[    .    1    .    2]" 1 
       867 1 34 VAL H    1 34 VAL QG   . . 3.460 2.062 1.939 2.351     .  0 0 "[    .    1    .    2]" 1 
       868 1 34 VAL QG   1 35 ASP H    . . 4.360 2.762 1.938 3.352     .  0 0 "[    .    1    .    2]" 1 
       869 1 34 VAL QG   1 38 ILE MG   . . 2.390 2.155 1.918 2.392 0.002 11 0 "[    .    1    .    2]" 1 
       870 1 34 VAL QG   1 39 LEU H    . . 4.020 2.496 2.241 2.797     .  0 0 "[    .    1    .    2]" 1 
       871 1 34 VAL QG   1 39 LEU HA   . . 4.560 2.137 1.882 2.450     .  0 0 "[    .    1    .    2]" 1 
       872 1 34 VAL QG   1 39 LEU QB   . . 3.790 1.972 1.844 2.207     .  0 0 "[    .    1    .    2]" 1 
       873 1 34 VAL QG   1 39 LEU HG   . . 4.210 3.120 1.905 3.933     .  0 0 "[    .    1    .    2]" 1 
       874 1 34 VAL QG   1 39 LEU QD   . . 2.700 2.203 1.751 2.630     .  0 0 "[    .    1    .    2]" 1 
       875 1 34 VAL QG   1 40 ALA H    . . 4.930 4.323 4.149 4.532     .  0 0 "[    .    1    .    2]" 1 
       876 1 34 VAL QG   1 42 ASP QB   . . 4.840 3.303 2.969 3.629     .  0 0 "[    .    1    .    2]" 1 
       877 1 34 VAL QG   1 67 PHE QE   . . 3.690 2.937 2.262 3.688     .  0 0 "[    .    1    .    2]" 1 
       878 1 35 ASP HA   1 39 LEU QB   . . 5.000 4.517 4.235 4.768     .  0 0 "[    .    1    .    2]" 1 
       879 1 35 ASP QB   1 38 ILE H    . . 3.850 2.710 2.309 2.922     .  0 0 "[    .    1    .    2]" 1 
       880 1 35 ASP QB   1 38 ILE HA   . . 5.320 4.880 4.427 5.151     .  0 0 "[    .    1    .    2]" 1 
       881 1 35 ASP QB   1 38 ILE MG   . . 5.340 4.178 3.686 4.576     .  0 0 "[    .    1    .    2]" 1 
       882 1 35 ASP QB   1 38 ILE MD   . . 3.470 2.051 1.809 2.712     .  0 0 "[    .    1    .    2]" 1 
       883 1 36 THR HA   1 39 LEU QB   . . 3.370 2.961 2.599 3.094     .  0 0 "[    .    1    .    2]" 1 
       884 1 36 THR HA   1 39 LEU QD   . . 3.650 3.574 3.291 3.657 0.007 16 0 "[    .    1    .    2]" 1 
       885 1 36 THR HA   1 63 VAL QG   . . 4.440 3.059 2.702 3.878     .  0 0 "[    .    1    .    2]" 1 
       886 1 36 THR MG   1 39 LEU QB   . . 4.830 4.464 4.317 4.625     .  0 0 "[    .    1    .    2]" 1 
       887 1 36 THR MG   1 63 VAL QG   . . 4.180 3.885 3.514 4.169     .  0 0 "[    .    1    .    2]" 1 
       888 1 37 GLY HA2  1 63 VAL QG   . . 5.440 4.433 4.062 4.714     .  0 0 "[    .    1    .    2]" 1 
       889 1 38 ILE H    1 38 ILE QG   . . 3.380 2.111 1.968 3.296     .  0 0 "[    .    1    .    2]" 1 
       890 1 38 ILE MG   1 39 LEU QB   . . 5.340 4.413 4.235 4.540     .  0 0 "[    .    1    .    2]" 1 
       891 1 38 ILE MG   1 42 ASP QB   . . 4.110 3.478 3.129 3.764     .  0 0 "[    .    1    .    2]" 1 
       892 1 39 LEU H    1 39 LEU QD   . . 4.250 3.709 3.628 3.762     .  0 0 "[    .    1    .    2]" 1 
       893 1 39 LEU QB   1 40 ALA H    . . 3.350 2.512 2.384 2.672     .  0 0 "[    .    1    .    2]" 1 
       894 1 39 LEU QB   1 43 LEU HB2  . . 5.340 4.560 4.231 4.836     .  0 0 "[    .    1    .    2]" 1 
       895 1 39 LEU QB   1 43 LEU MD1  . . 5.340 4.911 4.697 5.133     .  0 0 "[    .    1    .    2]" 1 
       896 1 39 LEU QB   1 63 VAL QG   . . 3.930 2.282 2.007 2.823     .  0 0 "[    .    1    .    2]" 1 
       897 1 39 LEU HG   1 63 VAL QG   . . 4.370 3.229 2.260 4.346     .  0 0 "[    .    1    .    2]" 1 
       898 1 39 LEU QD   1 40 ALA H    . . 4.600 3.710 3.402 3.988     .  0 0 "[    .    1    .    2]" 1 
       899 1 39 LEU QD   1 40 ALA HA   . . 4.410 3.860 3.170 4.417 0.007 12 0 "[    .    1    .    2]" 1 
       900 1 39 LEU QD   1 42 ASP QB   . . 5.110 3.125 2.789 3.781     .  0 0 "[    .    1    .    2]" 1 
       901 1 39 LEU QD   1 43 LEU HB2  . . 4.700 2.894 2.056 3.605     .  0 0 "[    .    1    .    2]" 1 
       902 1 39 LEU QD   1 43 LEU HG   . . 4.950 4.517 3.947 4.951 0.001 13 0 "[    .    1    .    2]" 1 
       903 1 39 LEU QD   1 43 LEU MD1  . . 3.300 2.481 2.181 2.813     .  0 0 "[    .    1    .    2]" 1 
       904 1 39 LEU QD   1 43 LEU MD2  . . 3.170 2.710 2.138 3.104     .  0 0 "[    .    1    .    2]" 1 
       905 1 39 LEU QD   1 63 VAL HA   . . 4.930 4.194 3.672 4.451     .  0 0 "[    .    1    .    2]" 1 
       906 1 39 LEU QD   1 63 VAL QG   . . 2.730 2.198 1.925 2.404     .  0 0 "[    .    1    .    2]" 1 
       907 1 39 LEU QD   1 67 PHE QD   . . 4.680 1.958 1.826 2.254     .  0 0 "[    .    1    .    2]" 1 
       908 1 39 LEU QD   1 70 ILE MD   . . 3.960 3.015 2.852 3.277     .  0 0 "[    .    1    .    2]" 1 
       909 1 40 ALA H    1 63 VAL QG   . . 3.840 2.479 2.125 2.911     .  0 0 "[    .    1    .    2]" 1 
       910 1 40 ALA HA   1 44 GLN QB   . . 5.070 4.547 3.912 5.009     .  0 0 "[    .    1    .    2]" 1 
       911 1 40 ALA HA   1 63 VAL QG   . . 3.440 2.026 1.784 2.263     .  0 0 "[    .    1    .    2]" 1 
       912 1 40 ALA MB   1 44 GLN QB   . . 4.840 4.300 3.626 4.818     .  0 0 "[    .    1    .    2]" 1 
       913 1 40 ALA MB   1 63 VAL QG   . . 2.970 1.858 1.674 2.190     .  0 0 "[    .    1    .    2]" 1 
       914 1 40 ALA MB   1 64 GLU QG   . . 5.340 4.056 3.455 4.582     .  0 0 "[    .    1    .    2]" 1 
       915 1 42 ASP QB   1 43 LEU H    . . 3.460 2.528 2.410 2.729     .  0 0 "[    .    1    .    2]" 1 
       916 1 42 ASP QB   1 46 LEU MD2  . . 4.900 3.121 2.565 3.741     .  0 0 "[    .    1    .    2]" 1 
       917 1 43 LEU HA   1 46 LEU QB   . . 4.570 4.378 4.179 4.475     .  0 0 "[    .    1    .    2]" 1 
       918 1 43 LEU MD1  1 63 VAL QG   . . 4.190 4.083 3.611 4.202 0.012  3 0 "[    .    1    .    2]" 1 
       919 1 43 LEU MD2  1 63 VAL QG   . . 3.120 2.541 2.022 2.799     .  0 0 "[    .    1    .    2]" 1 
       920 1 44 GLN H    1 44 GLN QB   . . 3.370 2.330 2.101 2.593     .  0 0 "[    .    1    .    2]" 1 
       921 1 44 GLN H    1 44 GLN QE   . . 4.730 4.256 3.125 4.732 0.002 11 0 "[    .    1    .    2]" 1 
       922 1 44 GLN QB   1 44 GLN QE   . . 4.010 2.538 1.936 3.659     .  0 0 "[    .    1    .    2]" 1 
       923 1 44 GLN QB   1 45 ARG H    . . 3.690 3.026 2.648 3.556     .  0 0 "[    .    1    .    2]" 1 
       924 1 44 GLN QB   1 47 TYR H    . . 5.340 4.875 4.777 4.975     .  0 0 "[    .    1    .    2]" 1 
       925 1 44 GLN QB   1 52 GLY QA   . . 4.660 4.120 2.755 4.668 0.008  8 0 "[    .    1    .    2]" 1 
       926 1 44 GLN QG   1 45 ARG H    . . 4.570 3.368 1.962 4.453     .  0 0 "[    .    1    .    2]" 1 
       927 1 44 GLN QG   1 59 PHE QD   . . 4.230 3.640 2.358 4.236 0.006  2 0 "[    .    1    .    2]" 1 
       928 1 46 LEU H    1 46 LEU QB   . . 3.300 2.684 2.639 2.718     .  0 0 "[    .    1    .    2]" 1 
       929 1 46 LEU QB   1 47 TYR H    . . 3.850 3.475 3.430 3.565     .  0 0 "[    .    1    .    2]" 1 
       930 1 47 TYR HB2  1 50 ASP QB   . . 4.080 3.838 3.709 4.021     .  0 0 "[    .    1    .    2]" 1 
       931 1 47 TYR HB3  1 50 ASP QB   . . 3.380 2.276 2.049 2.534     .  0 0 "[    .    1    .    2]" 1 
       932 1 48 SER QB   1 52 GLY QA   . . 4.630 3.528 2.917 4.327     .  0 0 "[    .    1    .    2]" 1 
       933 1 49 VAL QG   1 50 ASP H    . . 4.010 2.501 1.939 3.387     .  0 0 "[    .    1    .    2]" 1 
       934 1 54 ARG H    1 54 ARG QD   . . 4.890 4.078 2.342 4.854     .  0 0 "[    .    1    .    2]" 1 
       935 1 55 LYS H    1 55 LYS QB   . . 3.650 2.720 2.100 3.376     .  0 0 "[    .    1    .    2]" 1 
       936 1 55 LYS QB   1 58 ALA H    . . 4.940 2.893 2.236 3.470     .  0 0 "[    .    1    .    2]" 1 
       937 1 55 LYS QB   1 58 ALA HA   . . 4.680 4.242 3.931 4.703 0.023  4 0 "[    .    1    .    2]" 1 
       938 1 55 LYS QB   1 58 ALA MB   . . 3.170 1.827 1.696 1.920     .  0 0 "[    .    1    .    2]" 1 
       939 1 59 PHE HA   1 63 VAL QG   . . 4.560 3.898 3.532 4.447     .  0 0 "[    .    1    .    2]" 1 
       940 1 59 PHE QB   1 60 ARG H    . . 3.660 2.603 2.461 2.763     .  0 0 "[    .    1    .    2]" 1 
       941 1 60 ARG HA   1 63 VAL QG   . . 3.870 2.833 1.955 3.206     .  0 0 "[    .    1    .    2]" 1 
       942 1 60 ARG HB2  1 63 VAL QG   . . 5.440 5.114 4.255 5.442 0.002  3 0 "[    .    1    .    2]" 1 
       943 1 60 ARG HB2  1 64 GLU QG   . . 5.180 4.966 4.453 5.182 0.002  3 0 "[    .    1    .    2]" 1 
       944 1 60 ARG HB3  1 64 GLU QG   . . 3.790 3.658 3.322 3.796 0.006 19 0 "[    .    1    .    2]" 1 
       945 1 60 ARG QG   1 64 GLU QG   . . 5.340 4.561 2.771 5.352 0.012 18 0 "[    .    1    .    2]" 1 
       946 1 61 ILE HA   1 64 GLU QG   . . 4.510 3.073 2.083 3.860     .  0 0 "[    .    1    .    2]" 1 
       947 1 62 GLN H    1 63 VAL QG   . . 4.340 4.003 3.859 4.109     .  0 0 "[    .    1    .    2]" 1 
       948 1 63 VAL H    1 63 VAL QG   . . 3.150 2.054 1.939 2.187     .  0 0 "[    .    1    .    2]" 1 
       949 1 63 VAL QG   1 64 GLU H    . . 3.630 3.217 2.063 3.385     .  0 0 "[    .    1    .    2]" 1 
       950 1 63 VAL QG   1 66 VAL MG1  . . 3.810 3.479 3.298 3.779     .  0 0 "[    .    1    .    2]" 1 
       951 1 63 VAL QG   1 66 VAL MG2  . . 5.440 3.981 3.748 4.236     .  0 0 "[    .    1    .    2]" 1 
       952 1 63 VAL QG   1 67 PHE H    . . 4.340 3.718 3.457 3.937     .  0 0 "[    .    1    .    2]" 1 
       953 1 63 VAL QG   1 67 PHE HB2  . . 3.650 2.920 2.585 3.391     .  0 0 "[    .    1    .    2]" 1 
       954 1 64 GLU H    1 64 GLU QG   . . 3.120 2.654 2.328 2.974     .  0 0 "[    .    1    .    2]" 1 
       955 1 64 GLU QG   1 65 LYS H    . . 4.890 4.179 3.914 4.332     .  0 0 "[    .    1    .    2]" 1 
       956 1 68 SER HA   1 71 SER QB   . . 4.420 3.817 3.163 4.178     .  0 0 "[    .    1    .    2]" 1 
       957 1 69 ILE HA   1 73 GLU QB   . . 4.360 3.728 3.498 4.085     .  0 0 "[    .    1    .    2]" 1 
       958 1 69 ILE MG   1 73 GLU QB   . . 3.530 3.461 3.330 3.546 0.016 16 0 "[    .    1    .    2]" 1 
       959 1 69 ILE MG   1 73 GLU QG   . . 4.850 4.169 3.410 4.857 0.007  3 0 "[    .    1    .    2]" 1 
       960 1 69 ILE MD   1 73 GLU QB   . . 4.250 3.623 3.095 3.985     .  0 0 "[    .    1    .    2]" 1 
       961 1 70 ILE HA   1 73 GLU QB   . . 4.110 3.042 2.683 3.265     .  0 0 "[    .    1    .    2]" 1 
       962 1 70 ILE HA   1 73 GLU QG   . . 5.100 4.817 4.204 5.103 0.003 18 0 "[    .    1    .    2]" 1 
       963 1 70 ILE MG   1 73 GLU QB   . . 4.890 4.383 4.147 4.588     .  0 0 "[    .    1    .    2]" 1 
       964 1 71 SER H    1 71 SER QB   . . 3.570 2.702 2.246 2.911     .  0 0 "[    .    1    .    2]" 1 
       965 1 71 SER QB   1 72 SER H    . . 3.830 2.709 2.344 3.210     .  0 0 "[    .    1    .    2]" 1 
       966 1 71 SER QB   1 75 GLU HA   . . 4.810 4.475 4.158 4.812 0.002 16 0 "[    .    1    .    2]" 1 
       967 1 73 GLU H    1 73 GLU QG   . . 3.850 3.462 2.657 3.935 0.085  7 0 "[    .    1    .    2]" 1 
       968 1 73 GLU QB   1 74 LYS QD   . . 3.500 2.771 2.003 3.501 0.001  7 0 "[    .    1    .    2]" 1 
       969 1 73 GLU QG   1 74 LYS H    . . 4.970 4.225 3.359 4.384     .  0 0 "[    .    1    .    2]" 1 
       970 1 74 LYS H    1 75 GLU QG   . . 5.340 4.572 3.777 5.348 0.008  4 0 "[    .    1    .    2]" 1 
       971 1 75 GLU H    1 75 GLU QB   . . 3.530 3.156 2.874 3.428     .  0 0 "[    .    1    .    2]" 1 
       972 1 75 GLU H    1 75 GLU QG   . . 4.080 3.168 2.583 3.746     .  0 0 "[    .    1    .    2]" 1 
       973 1 75 GLU QB   1 76 LEU H    . . 4.020 3.126 1.948 3.928     .  0 0 "[    .    1    .    2]" 1 
       974 1 75 GLU QG   1 76 LEU H    . . 5.010 3.677 2.291 4.758     .  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              40
    _Distance_constraint_stats_list.Viol_count                    424
    _Distance_constraint_stats_list.Viol_total                    906.743
    _Distance_constraint_stats_list.Viol_max                      0.216
    _Distance_constraint_stats_list.Viol_rms                      0.0741
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0567
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1069
    _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 15 ARG 0.935 0.167 17 0 "[    .    1    .    2]" 
       1 17 LEU 5.232 0.214  5 0 "[    .    1    .    2]" 
       1 18 LYS 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 19 GLN 6.644 0.210 14 0 "[    .    1    .    2]" 
       1 20 ARG 4.333 0.216  2 0 "[    .    1    .    2]" 
       1 21 VAL 5.232 0.214  5 0 "[    .    1    .    2]" 
       1 22 ILE 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 23 GLN 5.709 0.210 14 0 "[    .    1    .    2]" 
       1 24 TYR 4.333 0.216  2 0 "[    .    1    .    2]" 
       1 25 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 36 THR 2.613 0.211 13 0 "[    .    1    .    2]" 
       1 38 ILE 3.599 0.206  6 0 "[    .    1    .    2]" 
       1 39 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 40 ALA 5.490 0.211 13 0 "[    .    1    .    2]" 
       1 41 SER 1.915 0.209 19 0 "[    .    1    .    2]" 
       1 42 ASP 5.293 0.206  6 0 "[    .    1    .    2]" 
       1 43 LEU 0.000 0.000  . 0 "[    .    1    .    2]" 
       1 44 GLN 2.877 0.203 10 0 "[    .    1    .    2]" 
       1 45 ARG 1.915 0.209 19 0 "[    .    1    .    2]" 
       1 46 LEU 1.693 0.205 16 0 "[    .    1    .    2]" 
       1 57 ASN 4.918 0.213 15 0 "[    .    1    .    2]" 
       1 58 ALA 3.108 0.208  9 0 "[    .    1    .    2]" 
       1 59 PHE 3.504 0.204  9 0 "[    .    1    .    2]" 
       1 60 ARG 1.543 0.200 16 0 "[    .    1    .    2]" 
       1 61 ILE 7.072 0.213 15 0 "[    .    1    .    2]" 
       1 62 GLN 3.520 0.208  9 0 "[    .    1    .    2]" 
       1 63 VAL 4.000 0.204  9 0 "[    .    1    .    2]" 
       1 64 GLU 1.543 0.200 16 0 "[    .    1    .    2]" 
       1 65 LYS 2.154 0.200 18 0 "[    .    1    .    2]" 
       1 66 VAL 0.708 0.201 12 0 "[    .    1    .    2]" 
       1 67 PHE 0.495 0.201  5 0 "[    .    1    .    2]" 
       1 70 ILE 0.296 0.051  9 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 15 ARG O 1 19 GLN N . . 3.000 2.967 2.778 3.141 0.141 17 0 "[    .    1    .    2]" 2 
        2 1 15 ARG O 1 19 GLN H . . 2.000 1.992 1.801 2.167 0.167 17 0 "[    .    1    .    2]" 2 
        3 1 17 LEU O 1 21 VAL N . . 3.000 3.058 3.036 3.081 0.081 16 0 "[    .    1    .    2]" 2 
        4 1 17 LEU O 1 21 VAL H . . 2.000 2.204 2.171 2.214 0.214  5 0 "[    .    1    .    2]" 2 
        5 1 18 LYS O 1 22 ILE N . . 3.000 2.769 2.730 2.847     .  0 0 "[    .    1    .    2]" 2 
        6 1 18 LYS O 1 22 ILE H . . 2.000 1.797 1.753 1.874     .  0 0 "[    .    1    .    2]" 2 
        7 1 19 GLN O 1 23 GLN N . . 3.000 3.084 3.033 3.115 0.115 17 0 "[    .    1    .    2]" 2 
        8 1 19 GLN O 1 23 GLN H . . 2.000 2.201 2.161 2.210 0.210 14 0 "[    .    1    .    2]" 2 
        9 1 20 ARG O 1 24 TYR N . . 3.000 3.001 2.973 3.029 0.029 12 0 "[    .    1    .    2]" 2 
       10 1 20 ARG O 1 24 TYR H . . 2.000 2.211 2.205 2.216 0.216  2 0 "[    .    1    .    2]" 2 
       11 1 21 VAL O 1 25 LEU N . . 3.000 2.872 2.808 2.911     .  0 0 "[    .    1    .    2]" 2 
       12 1 21 VAL O 1 25 LEU H . . 2.000 1.934 1.864 1.976     .  0 0 "[    .    1    .    2]" 2 
       13 1 36 THR O 1 40 ALA N . . 3.000 3.008 2.680 3.155 0.155 10 0 "[    .    1    .    2]" 2 
       14 1 36 THR O 1 40 ALA H . . 2.000 2.059 1.710 2.211 0.211 13 0 "[    .    1    .    2]" 2 
       15 1 38 ILE O 1 42 ASP N . . 3.000 3.037 2.835 3.160 0.160 17 0 "[    .    1    .    2]" 2 
       16 1 38 ILE O 1 42 ASP H . . 2.000 2.109 1.871 2.206 0.206  6 0 "[    .    1    .    2]" 2 
       17 1 39 LEU O 1 43 LEU N . . 3.000 2.677 2.601 2.760     .  0 0 "[    .    1    .    2]" 2 
       18 1 39 LEU O 1 43 LEU H . . 2.000 1.723 1.661 1.802     .  0 0 "[    .    1    .    2]" 2 
       19 1 40 ALA O 1 44 GLN N . . 3.000 2.982 2.720 3.149 0.149  2 0 "[    .    1    .    2]" 2 
       20 1 40 ALA O 1 44 GLN H . . 2.000 2.071 1.855 2.203 0.203 10 0 "[    .    1    .    2]" 2 
       21 1 41 SER O 1 45 ARG N . . 3.000 2.895 2.633 3.073 0.073 19 0 "[    .    1    .    2]" 2 
       22 1 41 SER O 1 45 ARG H . . 2.000 2.046 1.764 2.209 0.209 19 0 "[    .    1    .    2]" 2 
       23 1 42 ASP O 1 46 LEU N . . 3.000 3.007 2.841 3.166 0.166 16 0 "[    .    1    .    2]" 2 
       24 1 42 ASP O 1 46 LEU H . . 2.000 2.041 1.885 2.205 0.205 16 0 "[    .    1    .    2]" 2 
       25 1 57 ASN O 1 61 ILE N . . 3.000 3.077 2.884 3.168 0.168 15 0 "[    .    1    .    2]" 2 
       26 1 57 ASN O 1 61 ILE H . . 2.000 2.153 1.946 2.213 0.213 15 0 "[    .    1    .    2]" 2 
       27 1 58 ALA O 1 62 GLN N . . 3.000 3.021 2.830 3.139 0.139 13 0 "[    .    1    .    2]" 2 
       28 1 58 ALA O 1 62 GLN H . . 2.000 2.097 1.956 2.208 0.208  9 0 "[    .    1    .    2]" 2 
       29 1 59 PHE O 1 63 VAL N . . 3.000 3.051 2.888 3.149 0.149  9 0 "[    .    1    .    2]" 2 
       30 1 59 PHE O 1 63 VAL H . . 2.000 2.104 1.947 2.204 0.204  9 0 "[    .    1    .    2]" 2 
       31 1 60 ARG O 1 64 GLU N . . 3.000 2.912 2.644 3.067 0.067 16 0 "[    .    1    .    2]" 2 
       32 1 60 ARG O 1 64 GLU H . . 2.000 2.049 1.813 2.200 0.200 16 0 "[    .    1    .    2]" 2 
       33 1 61 ILE O 1 65 LYS N . . 3.000 3.018 2.904 3.140 0.140 18 0 "[    .    1    .    2]" 2 
       34 1 61 ILE O 1 65 LYS H . . 2.000 2.065 1.940 2.200 0.200 18 0 "[    .    1    .    2]" 2 
       35 1 62 GLN O 1 66 VAL N . . 3.000 2.817 2.658 3.046 0.046 12 0 "[    .    1    .    2]" 2 
       36 1 62 GLN O 1 66 VAL H . . 2.000 1.947 1.732 2.201 0.201 12 0 "[    .    1    .    2]" 2 
       37 1 63 VAL O 1 67 PHE N . . 3.000 2.748 2.595 2.996     .  0 0 "[    .    1    .    2]" 2 
       38 1 63 VAL O 1 67 PHE H . . 2.000 1.933 1.788 2.201 0.201  5 0 "[    .    1    .    2]" 2 
       39 1 66 VAL O 1 70 ILE N . . 3.000 2.930 2.799 2.997     .  0 0 "[    .    1    .    2]" 2 
       40 1 66 VAL O 1 70 ILE H . . 2.000 1.995 1.854 2.051 0.051  9 0 "[    .    1    .    2]" 2 
    stop_

save_



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