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
324753 2aav 6730 cing 4-filtered-FRED Wattos check violation distance


data_2aav


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              902
    _Distance_constraint_stats_list.Viol_count                    663
    _Distance_constraint_stats_list.Viol_total                    1037.149
    _Distance_constraint_stats_list.Viol_max                      0.526
    _Distance_constraint_stats_list.Viol_rms                      0.0205
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0029
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0782
    _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  9 HIS  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 10 VAL  1.299 0.100  7 0 "[    .    1    .    2]" 
       1 11 THR  1.309 0.163  4 0 "[    .    1    .    2]" 
       1 12 ALA  1.502 0.163  4 0 "[    .    1    .    2]" 
       1 13 TYR  0.145 0.045  9 0 "[    .    1    .    2]" 
       1 14 GLY  0.557 0.096 20 0 "[    .    1    .    2]" 
       1 15 PRO  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 16 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 17 LEU  1.491 0.131  1 0 "[    .    1    .    2]" 
       1 18 THR  0.032 0.032  1 0 "[    .    1    .    2]" 
       1 19 HIS  0.240 0.054  3 0 "[    .    1    .    2]" 
       1 20 GLY  0.114 0.048 11 0 "[    .    1    .    2]" 
       1 21 VAL  0.739 0.122 14 0 "[    .    1    .    2]" 
       1 22 VAL  0.135 0.070 20 0 "[    .    1    .    2]" 
       1 23 ASN  0.552 0.101  6 0 "[    .    1    .    2]" 
       1 24 LYS  5.868 0.453  8 0 "[    .    1    .    2]" 
       1 25 PRO  5.365 0.453  8 0 "[    .    1    .    2]" 
       1 26 ALA  0.075 0.038  9 0 "[    .    1    .    2]" 
       1 27 THR  1.119 0.149 13 0 "[    .    1    .    2]" 
       1 28 PHE  0.926 0.119 12 0 "[    .    1    .    2]" 
       1 29 THR  0.180 0.045  9 0 "[    .    1    .    2]" 
       1 30 VAL  5.736 0.526  3 1 "[  + .    1    .    2]" 
       1 31 ASN  1.030 0.148 15 0 "[    .    1    .    2]" 
       1 32 THR  2.284 0.198 15 0 "[    .    1    .    2]" 
       1 33 LYS  1.504 0.198 15 0 "[    .    1    .    2]" 
       1 34 ASP  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 35 ALA  0.117 0.052  2 0 "[    .    1    .    2]" 
       1 36 GLY  0.068 0.052  2 0 "[    .    1    .    2]" 
       1 37 GLU  1.690 0.196  2 0 "[    .    1    .    2]" 
       1 38 GLY  1.459 0.196  2 0 "[    .    1    .    2]" 
       1 39 GLY  0.089 0.059 18 0 "[    .    1    .    2]" 
       1 40 LEU  0.166 0.059 18 0 "[    .    1    .    2]" 
       1 41 SER  0.519 0.287  4 0 "[    .    1    .    2]" 
       1 42 LEU  1.773 0.287  4 0 "[    .    1    .    2]" 
       1 43 ALA  0.074 0.074  8 0 "[    .    1    .    2]" 
       1 44 ILE  0.603 0.087 13 0 "[    .    1    .    2]" 
       1 45 GLU  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 46 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 47 PRO  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 48 SER  0.433 0.096 11 0 "[    .    1    .    2]" 
       1 49 LYS  0.433 0.096 11 0 "[    .    1    .    2]" 
       1 50 ALA  0.497 0.078 13 0 "[    .    1    .    2]" 
       1 51 GLU  0.226 0.175  1 0 "[    .    1    .    2]" 
       1 52 ILE  0.323 0.175  1 0 "[    .    1    .    2]" 
       1 53 SER  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 54 CYS  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 55 THR  2.521 0.177  8 0 "[    .    1    .    2]" 
       1 56 ASP  0.066 0.057  8 0 "[    .    1    .    2]" 
       1 57 ASN  1.760 0.188  5 0 "[    .    1    .    2]" 
       1 58 GLN  1.697 0.188  5 0 "[    .    1    .    2]" 
       1 59 ASP  0.434 0.082 13 0 "[    .    1    .    2]" 
       1 60 GLY  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 61 THR  0.767 0.095  4 0 "[    .    1    .    2]" 
       1 62 CYS  4.958 0.526  3 1 "[  + .    1    .    2]" 
       1 63 SER  2.510 0.177  8 0 "[    .    1    .    2]" 
       1 64 VAL  1.297 0.130 20 0 "[    .    1    .    2]" 
       1 65 SER  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 66 TYR  1.061 0.149 13 0 "[    .    1    .    2]" 
       1 67 LEU  0.794 0.135  8 0 "[    .    1    .    2]" 
       1 68 PRO  0.021 0.021 19 0 "[    .    1    .    2]" 
       1 69 VAL  0.000 0.000  . 0 "[    .    1    .    2]" 
       1 70 LEU  0.533 0.101 15 0 "[    .    1    .    2]" 
       1 71 PRO  0.032 0.032 18 0 "[    .    1    .    2]" 
       1 72 GLY  0.227 0.144  7 0 "[    .    1    .    2]" 
       1 73 ASP  0.003 0.003 19 0 "[    .    1    .    2]" 
       1 74 TYR  0.319 0.101 15 0 "[    .    1    .    2]" 
       1 75 SER  0.785 0.147  7 0 "[    .    1    .    2]" 
       1 76 ILE  1.498 0.131  1 0 "[    .    1    .    2]" 
       1 77 LEU  0.563 0.097  5 0 "[    .    1    .    2]" 
       1 78 VAL  0.511 0.073  4 0 "[    .    1    .    2]" 
       1 79 LYS  0.292 0.073 12 0 "[    .    1    .    2]" 
       1 80 TYR  1.798 0.228  8 0 "[    .    1    .    2]" 
       1 81 ASN  0.477 0.228  8 0 "[    .    1    .    2]" 
       1 82 GLU  0.266 0.069 10 0 "[    .    1    .    2]" 
       1 83 GLN  0.528 0.109  8 0 "[    .    1    .    2]" 
       1 84 HIS  0.301 0.097  5 0 "[    .    1    .    2]" 
       1 85 VAL 11.977 0.292 17 0 "[    .    1    .    2]" 
       1 86 PRO 10.449 0.292 17 0 "[    .    1    .    2]" 
       1 87 GLY  1.387 0.270 17 0 "[    .    1    .    2]" 
       1 88 SER  0.571 0.073  4 0 "[    .    1    .    2]" 
       1 89 PRO  0.321 0.072  2 0 "[    .    1    .    2]" 
       1 90 PHE  0.291 0.078 16 0 "[    .    1    .    2]" 
       1 91 THR  1.322 0.147  7 0 "[    .    1    .    2]" 
       1 92 ALA  0.385 0.116  3 0 "[    .    1    .    2]" 
       1 93 ARG  1.757 0.168  7 0 "[    .    1    .    2]" 
       1 94 VAL  2.216 0.168  7 0 "[    .    1    .    2]" 
       1 95 THR  1.122 0.125  2 0 "[    .    1    .    2]" 
       1 96 GLY  0.983 0.125  2 0 "[    .    1    .    2]" 
       1 97 ASP  0.028 0.023 13 0 "[    .    1    .    2]" 
       1 98 ASP  0.006 0.006 13 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  9 HIS HA   1  9 HIS HD2  . . 5.300 3.728 2.378 4.941     .  0 0 "[    .    1    .    2]" 1 
         2 1 10 VAL HA   1 10 VAL MG1  . . 3.470 3.171 2.449 3.284     .  0 0 "[    .    1    .    2]" 1 
         3 1 10 VAL HA   1 10 VAL QG   . . 2.970 2.330 2.205 2.434     .  0 0 "[    .    1    .    2]" 1 
         4 1 10 VAL HA   1 10 VAL MG2  . . 3.470 2.466 2.243 3.250     .  0 0 "[    .    1    .    2]" 1 
         5 1 10 VAL HA   1 11 THR H    . . 3.190 2.185 1.950 2.709     .  0 0 "[    .    1    .    2]" 1 
         6 1 10 VAL HA   1 32 THR MG   . . 4.510 4.372 2.845 4.600 0.090 19 0 "[    .    1    .    2]" 1 
         7 1 10 VAL HB   1 32 THR HA   . . 5.180 2.623 2.246 2.936     .  0 0 "[    .    1    .    2]" 1 
         8 1 10 VAL HB   1 32 THR MG   . . 3.630 3.376 2.428 3.681 0.051 16 0 "[    .    1    .    2]" 1 
         9 1 10 VAL HB   1 33 LYS H    . . 5.130 4.573 3.407 5.201 0.071  6 0 "[    .    1    .    2]" 1 
        10 1 10 VAL HB   1 80 TYR HH   . . 5.420 5.096 4.272 5.520 0.100  7 0 "[    .    1    .    2]" 1 
        11 1 10 VAL QG   1 11 THR H    . . 3.620 2.695 2.198 3.657 0.037  4 0 "[    .    1    .    2]" 1 
        12 1 10 VAL QG   1 30 VAL QG   . . 4.440 3.543 2.389 3.907     .  0 0 "[    .    1    .    2]" 1 
        13 1 10 VAL QG   1 32 THR HA   . . 3.570 2.335 1.960 3.305     .  0 0 "[    .    1    .    2]" 1 
        14 1 10 VAL QG   1 32 THR HB   . . 4.440 3.726 2.525 4.019     .  0 0 "[    .    1    .    2]" 1 
        15 1 10 VAL QG   1 32 THR MG   . . 3.130 2.151 1.983 2.409     .  0 0 "[    .    1    .    2]" 1 
        16 1 10 VAL QG   1 33 LYS H    . . 4.610 4.092 2.480 4.605     .  0 0 "[    .    1    .    2]" 1 
        17 1 10 VAL QG   1 35 ALA HA   . . 5.130 3.922 3.350 4.432     .  0 0 "[    .    1    .    2]" 1 
        18 1 10 VAL QG   1 35 ALA MB   . . 3.280 2.512 1.898 3.241     .  0 0 "[    .    1    .    2]" 1 
        19 1 10 VAL QG   1 80 TYR QB   . . 4.140 2.861 2.282 3.531     .  0 0 "[    .    1    .    2]" 1 
        20 1 10 VAL QG   1 80 TYR QD   . . 3.960 2.622 2.396 3.075     .  0 0 "[    .    1    .    2]" 1 
        21 1 10 VAL QG   1 80 TYR QE   . . 4.610 2.827 2.177 3.241     .  0 0 "[    .    1    .    2]" 1 
        22 1 10 VAL QG   1 80 TYR HH   . . 4.770 3.850 2.633 4.413     .  0 0 "[    .    1    .    2]" 1 
        23 1 10 VAL MG1  1 11 THR H    . . 4.140 3.985 3.576 4.116     .  0 0 "[    .    1    .    2]" 1 
        24 1 10 VAL MG1  1 32 THR HA   . . 4.340 3.909 1.996 4.387 0.047  8 0 "[    .    1    .    2]" 1 
        25 1 10 VAL MG1  1 80 TYR QD   . . 5.130 3.215 2.745 4.892     .  0 0 "[    .    1    .    2]" 1 
        26 1 10 VAL MG2  1 11 THR H    . . 4.140 2.770 2.218 4.208 0.068  4 0 "[    .    1    .    2]" 1 
        27 1 10 VAL MG2  1 32 THR HA   . . 4.340 2.450 1.988 3.426     .  0 0 "[    .    1    .    2]" 1 
        28 1 10 VAL MG2  1 80 TYR QD   . . 5.130 2.885 2.477 3.506     .  0 0 "[    .    1    .    2]" 1 
        29 1 11 THR H    1 12 ALA H    . . 4.820 4.403 4.131 4.553     .  0 0 "[    .    1    .    2]" 1 
        30 1 11 THR H    1 12 ALA MB   . . 5.050 5.041 4.923 5.145 0.095 15 0 "[    .    1    .    2]" 1 
        31 1 11 THR H    1 31 ASN H    . . 4.180 3.480 2.851 4.297 0.117 12 0 "[    .    1    .    2]" 1 
        32 1 11 THR HA   1 11 THR MG   . . 3.670 2.365 2.274 2.486     .  0 0 "[    .    1    .    2]" 1 
        33 1 11 THR HA   1 12 ALA H    . . 3.110 2.389 2.149 2.677     .  0 0 "[    .    1    .    2]" 1 
        34 1 11 THR HB   1 12 ALA H    . . 3.700 2.803 2.052 3.863 0.163  4 0 "[    .    1    .    2]" 1 
        35 1 11 THR HB   1 13 TYR QD   . . 4.380 3.358 2.795 4.149     .  0 0 "[    .    1    .    2]" 1 
        36 1 11 THR MG   1 12 ALA H    . . 4.060 3.151 1.975 3.721     .  0 0 "[    .    1    .    2]" 1 
        37 1 11 THR MG   1 13 TYR QD   . . 5.060 4.132 2.460 5.096 0.036 19 0 "[    .    1    .    2]" 1 
        38 1 12 ALA H    1 30 VAL QG   . . 4.940 4.003 2.762 4.774     .  0 0 "[    .    1    .    2]" 1 
        39 1 12 ALA HA   1 13 TYR H    . . 3.170 2.189 2.089 2.264     .  0 0 "[    .    1    .    2]" 1 
        40 1 12 ALA HA   1 13 TYR QD   . . 4.740 3.488 3.020 3.948     .  0 0 "[    .    1    .    2]" 1 
        41 1 12 ALA HA   1 29 THR MG   . . 5.500 4.882 4.513 5.182     .  0 0 "[    .    1    .    2]" 1 
        42 1 12 ALA HA   1 30 VAL HA   . . 3.270 2.461 2.021 2.667     .  0 0 "[    .    1    .    2]" 1 
        43 1 12 ALA HA   1 30 VAL QG   . . 4.350 2.392 1.947 3.012     .  0 0 "[    .    1    .    2]" 1 
        44 1 12 ALA HA   1 31 ASN H    . . 4.100 4.027 3.789 4.248 0.148 15 0 "[    .    1    .    2]" 1 
        45 1 12 ALA MB   1 13 TYR H    . . 3.830 3.017 2.648 3.272     .  0 0 "[    .    1    .    2]" 1 
        46 1 12 ALA MB   1 13 TYR QD   . . 5.460 4.593 4.361 4.759     .  0 0 "[    .    1    .    2]" 1 
        47 1 12 ALA MB   1 17 LEU MD1  . . 4.060 2.462 2.129 3.024     .  0 0 "[    .    1    .    2]" 1 
        48 1 12 ALA MB   1 17 LEU QD   . . 3.340 2.368 2.075 2.880     .  0 0 "[    .    1    .    2]" 1 
        49 1 12 ALA MB   1 17 LEU MD2  . . 4.060 3.137 2.654 3.663     .  0 0 "[    .    1    .    2]" 1 
        50 1 12 ALA MB   1 17 LEU HG   . . 5.080 4.522 4.151 5.107 0.027 10 0 "[    .    1    .    2]" 1 
        51 1 12 ALA MB   1 30 VAL QG   . . 4.100 2.028 1.953 2.328     .  0 0 "[    .    1    .    2]" 1 
        52 1 12 ALA MB   1 76 ILE MG   . . 5.500 4.280 3.751 4.842     .  0 0 "[    .    1    .    2]" 1 
        53 1 12 ALA MB   1 78 VAL QG   . . 4.570 2.361 1.952 3.068     .  0 0 "[    .    1    .    2]" 1 
        54 1 12 ALA MB   1 90 PHE QE   . . 4.120 2.850 2.415 3.419     .  0 0 "[    .    1    .    2]" 1 
        55 1 12 ALA MB   1 90 PHE HZ   . . 4.350 3.516 2.658 4.324     .  0 0 "[    .    1    .    2]" 1 
        56 1 13 TYR H    1 13 TYR QD   . . 4.020 3.097 2.804 3.422     .  0 0 "[    .    1    .    2]" 1 
        57 1 13 TYR H    1 17 LEU QD   . . 4.160 3.124 2.886 3.583     .  0 0 "[    .    1    .    2]" 1 
        58 1 13 TYR H    1 28 PHE QB   . . 4.240 3.836 3.526 4.206     .  0 0 "[    .    1    .    2]" 1 
        59 1 13 TYR H    1 29 THR H    . . 4.060 3.282 2.931 3.465     .  0 0 "[    .    1    .    2]" 1 
        60 1 13 TYR H    1 29 THR HB   . . 4.230 3.690 3.287 4.275 0.045  9 0 "[    .    1    .    2]" 1 
        61 1 13 TYR H    1 29 THR MG   . . 4.960 4.434 4.211 4.744     .  0 0 "[    .    1    .    2]" 1 
        62 1 13 TYR H    1 30 VAL HA   . . 4.560 3.712 3.197 3.967     .  0 0 "[    .    1    .    2]" 1 
        63 1 13 TYR H    1 30 VAL QG   . . 5.320 3.605 2.850 4.142     .  0 0 "[    .    1    .    2]" 1 
        64 1 13 TYR HA   1 13 TYR QD   . . 4.340 3.778 3.738 3.811     .  0 0 "[    .    1    .    2]" 1 
        65 1 13 TYR HA   1 14 GLY H    . . 3.350 2.351 2.221 2.526     .  0 0 "[    .    1    .    2]" 1 
        66 1 13 TYR HA   1 17 LEU QD   . . 3.760 2.285 2.063 2.518     .  0 0 "[    .    1    .    2]" 1 
        67 1 13 TYR QB   1 14 GLY H    . . 3.620 2.508 2.260 2.753     .  0 0 "[    .    1    .    2]" 1 
        68 1 13 TYR HB2  1 14 GLY H    . . 4.370 2.548 2.284 2.827     .  0 0 "[    .    1    .    2]" 1 
        69 1 13 TYR HB3  1 14 GLY H    . . 4.370 3.774 3.530 3.889     .  0 0 "[    .    1    .    2]" 1 
        70 1 13 TYR QD   1 14 GLY H    . . 4.740 3.624 3.103 4.125     .  0 0 "[    .    1    .    2]" 1 
        71 1 13 TYR QD   1 14 GLY HA2  . . 4.560 3.504 3.137 4.029     .  0 0 "[    .    1    .    2]" 1 
        72 1 13 TYR QD   1 14 GLY HA3  . . 5.330 4.181 3.772 4.749     .  0 0 "[    .    1    .    2]" 1 
        73 1 13 TYR QE   1 29 THR HB   . . 4.220 3.135 2.700 3.620     .  0 0 "[    .    1    .    2]" 1 
        74 1 13 TYR QE   1 29 THR MG   . . 4.060 2.850 2.563 3.539     .  0 0 "[    .    1    .    2]" 1 
        75 1 13 TYR QE   1 30 VAL HA   . . 4.790 4.345 3.267 4.831 0.041  5 0 "[    .    1    .    2]" 1 
        76 1 13 TYR QE   1 31 ASN HB2  . . 4.180 3.282 2.366 4.199 0.019 19 0 "[    .    1    .    2]" 1 
        77 1 13 TYR QE   1 31 ASN QB   . . 3.630 2.682 2.200 3.587     .  0 0 "[    .    1    .    2]" 1 
        78 1 13 TYR QE   1 31 ASN HB3  . . 4.180 2.963 2.344 3.973     .  0 0 "[    .    1    .    2]" 1 
        79 1 14 GLY H    1 15 PRO QD   . . 4.750 4.296 4.196 4.373     .  0 0 "[    .    1    .    2]" 1 
        80 1 14 GLY H    1 17 LEU QD   . . 4.110 3.259 2.692 3.631     .  0 0 "[    .    1    .    2]" 1 
        81 1 14 GLY HA2  1 15 PRO HD2  . . 3.880 2.777 2.662 3.226     .  0 0 "[    .    1    .    2]" 1 
        82 1 14 GLY HA2  1 15 PRO HD3  . . 3.880 2.458 2.132 2.575     .  0 0 "[    .    1    .    2]" 1 
        83 1 14 GLY HA3  1 15 PRO HD2  . . 3.790 2.460 2.301 2.866     .  0 0 "[    .    1    .    2]" 1 
        84 1 14 GLY HA3  1 15 PRO QD   . . 3.280 2.381 2.253 2.595     .  0 0 "[    .    1    .    2]" 1 
        85 1 14 GLY HA3  1 15 PRO HD3  . . 3.790 3.247 2.764 3.386     .  0 0 "[    .    1    .    2]" 1 
        86 1 14 GLY HA3  1 17 LEU H    . . 4.350 4.370 4.293 4.446 0.096 20 0 "[    .    1    .    2]" 1 
        87 1 15 PRO HA   1 17 LEU H    . . 5.370 3.800 3.528 4.222     .  0 0 "[    .    1    .    2]" 1 
        88 1 15 PRO QD   1 16 GLY H    . . 4.090 2.747 2.555 2.861     .  0 0 "[    .    1    .    2]" 1 
        89 1 15 PRO QG   1 16 GLY H    . . 3.770 2.606 2.329 3.718     .  0 0 "[    .    1    .    2]" 1 
        90 1 16 GLY H    1 17 LEU H    . . 4.050 2.896 2.732 3.039     .  0 0 "[    .    1    .    2]" 1 
        91 1 16 GLY H    1 27 THR H    . . 5.500 4.216 3.313 5.227     .  0 0 "[    .    1    .    2]" 1 
        92 1 16 GLY H    1 28 PHE HA   . . 4.420 3.766 3.352 4.123     .  0 0 "[    .    1    .    2]" 1 
        93 1 16 GLY H    1 28 PHE QB   . . 3.880 3.148 2.680 3.840     .  0 0 "[    .    1    .    2]" 1 
        94 1 16 GLY QA   1 17 LEU QD   . . 5.280 3.911 3.698 4.212     .  0 0 "[    .    1    .    2]" 1 
        95 1 16 GLY QA   1 19 HIS H    . . 4.320 3.569 3.179 3.832     .  0 0 "[    .    1    .    2]" 1 
        96 1 16 GLY QA   1 26 ALA MB   . . 3.640 3.089 2.444 3.632     .  0 0 "[    .    1    .    2]" 1 
        97 1 16 GLY QA   1 27 THR H    . . 4.190 3.285 2.554 3.647     .  0 0 "[    .    1    .    2]" 1 
        98 1 16 GLY QA   1 27 THR HA   . . 4.970 4.400 3.660 4.907     .  0 0 "[    .    1    .    2]" 1 
        99 1 16 GLY QA   1 28 PHE QD   . . 4.710 3.312 2.654 4.387     .  0 0 "[    .    1    .    2]" 1 
       100 1 16 GLY HA2  1 26 ALA MB   . . 4.220 3.409 2.569 4.127     .  0 0 "[    .    1    .    2]" 1 
       101 1 16 GLY HA3  1 26 ALA MB   . . 4.220 3.563 2.726 4.031     .  0 0 "[    .    1    .    2]" 1 
       102 1 17 LEU H    1 17 LEU HB2  . . 3.700 2.665 2.541 2.786     .  0 0 "[    .    1    .    2]" 1 
       103 1 17 LEU H    1 17 LEU HB3  . . 4.030 3.720 3.610 3.788     .  0 0 "[    .    1    .    2]" 1 
       104 1 17 LEU H    1 17 LEU MD1  . . 4.190 3.824 3.565 4.014     .  0 0 "[    .    1    .    2]" 1 
       105 1 17 LEU H    1 17 LEU MD2  . . 4.190 3.427 3.150 3.753     .  0 0 "[    .    1    .    2]" 1 
       106 1 17 LEU H    1 17 LEU HG   . . 3.750 2.480 2.121 2.731     .  0 0 "[    .    1    .    2]" 1 
       107 1 17 LEU H    1 18 THR H    . . 3.580 2.392 2.169 2.709     .  0 0 "[    .    1    .    2]" 1 
       108 1 17 LEU H    1 19 HIS H    . . 4.340 4.027 3.712 4.394 0.054  3 0 "[    .    1    .    2]" 1 
       109 1 17 LEU H    1 28 PHE QB   . . 4.190 3.355 3.013 3.621     .  0 0 "[    .    1    .    2]" 1 
       110 1 17 LEU HA   1 17 LEU MD1  . . 4.440 3.893 3.773 3.970     .  0 0 "[    .    1    .    2]" 1 
       111 1 17 LEU HA   1 17 LEU QD   . . 3.270 2.287 2.183 2.432     .  0 0 "[    .    1    .    2]" 1 
       112 1 17 LEU HA   1 17 LEU MD2  . . 4.440 2.303 2.196 2.455     .  0 0 "[    .    1    .    2]" 1 
       113 1 17 LEU HA   1 17 LEU HG   . . 3.860 3.310 3.154 3.430     .  0 0 "[    .    1    .    2]" 1 
       114 1 17 LEU HA   1 76 ILE MD   . . 4.170 3.201 2.714 3.857     .  0 0 "[    .    1    .    2]" 1 
       115 1 17 LEU HB2  1 18 THR H    . . 4.130 3.374 3.111 3.678     .  0 0 "[    .    1    .    2]" 1 
       116 1 17 LEU HB2  1 90 PHE QD   . . 5.500 4.199 3.537 4.971     .  0 0 "[    .    1    .    2]" 1 
       117 1 17 LEU HB3  1 18 THR H    . . 4.450 4.253 4.082 4.386     .  0 0 "[    .    1    .    2]" 1 
       118 1 17 LEU HB3  1 76 ILE QG   . . 3.940 3.414 3.151 4.071 0.131  1 0 "[    .    1    .    2]" 1 
       119 1 17 LEU HB3  1 90 PHE QB   . . 5.090 2.303 2.074 2.713     .  0 0 "[    .    1    .    2]" 1 
       120 1 17 LEU HB3  1 90 PHE QD   . . 5.200 3.296 2.980 3.687     .  0 0 "[    .    1    .    2]" 1 
       121 1 17 LEU QD   1 28 PHE QB   . . 4.060 2.604 2.229 2.996     .  0 0 "[    .    1    .    2]" 1 
       122 1 17 LEU QD   1 44 ILE MD   . . 5.430 4.537 4.227 4.882     .  0 0 "[    .    1    .    2]" 1 
       123 1 17 LEU QD   1 76 ILE HB   . . 4.880 2.852 2.434 3.104     .  0 0 "[    .    1    .    2]" 1 
       124 1 17 LEU QD   1 76 ILE MD   . . 3.840 3.044 2.897 3.206     .  0 0 "[    .    1    .    2]" 1 
       125 1 17 LEU QD   1 76 ILE QG   . . 4.560 2.018 1.907 2.099     .  0 0 "[    .    1    .    2]" 1 
       126 1 17 LEU QD   1 76 ILE MG   . . 3.930 2.327 2.088 2.959     .  0 0 "[    .    1    .    2]" 1 
       127 1 17 LEU QD   1 78 VAL QG   . . 4.810 3.136 2.746 3.665     .  0 0 "[    .    1    .    2]" 1 
       128 1 17 LEU QD   1 90 PHE QB   . . 4.490 2.628 2.285 2.848     .  0 0 "[    .    1    .    2]" 1 
       129 1 17 LEU QD   1 90 PHE QD   . . 4.070 2.727 2.324 3.147     .  0 0 "[    .    1    .    2]" 1 
       130 1 17 LEU QD   1 90 PHE QE   . . 5.130 3.085 2.770 3.554     .  0 0 "[    .    1    .    2]" 1 
       131 1 17 LEU MD1  1 28 PHE QB   . . 4.690 3.100 2.536 3.613     .  0 0 "[    .    1    .    2]" 1 
       132 1 17 LEU MD1  1 76 ILE MD   . . 5.120 5.150 5.070 5.206 0.086 14 0 "[    .    1    .    2]" 1 
       133 1 17 LEU MD1  1 90 PHE QD   . . 4.720 3.101 2.834 3.495     .  0 0 "[    .    1    .    2]" 1 
       134 1 17 LEU MD2  1 28 PHE QB   . . 4.690 2.826 2.471 3.275     .  0 0 "[    .    1    .    2]" 1 
       135 1 17 LEU MD2  1 76 ILE MD   . . 5.120 3.067 2.914 3.239     .  0 0 "[    .    1    .    2]" 1 
       136 1 17 LEU MD2  1 90 PHE QD   . . 4.720 3.123 2.385 3.602     .  0 0 "[    .    1    .    2]" 1 
       137 1 17 LEU HG   1 28 PHE QB   . . 3.880 2.461 2.203 2.753     .  0 0 "[    .    1    .    2]" 1 
       138 1 18 THR H    1 18 THR HB   . . 4.120 3.382 2.601 3.886     .  0 0 "[    .    1    .    2]" 1 
       139 1 18 THR H    1 18 THR MG   . . 4.180 3.100 2.195 3.920     .  0 0 "[    .    1    .    2]" 1 
       140 1 18 THR H    1 19 HIS H    . . 3.130 2.101 1.918 2.428     .  0 0 "[    .    1    .    2]" 1 
       141 1 18 THR HB   1 19 HIS H    . . 4.280 3.535 2.513 4.312 0.032  1 0 "[    .    1    .    2]" 1 
       142 1 19 HIS H    1 19 HIS QB   . . 3.680 2.785 2.448 3.273     .  0 0 "[    .    1    .    2]" 1 
       143 1 19 HIS H    1 20 GLY H    . . 4.440 4.400 4.147 4.488 0.048 11 0 "[    .    1    .    2]" 1 
       144 1 19 HIS HA   1 20 GLY H    . . 3.310 2.497 2.059 2.747     .  0 0 "[    .    1    .    2]" 1 
       145 1 19 HIS HA   1 93 ARG H    . . 3.800 2.408 1.987 2.689     .  0 0 "[    .    1    .    2]" 1 
       146 1 19 HIS QB   1 20 GLY H    . . 3.500 2.527 2.049 3.386     .  0 0 "[    .    1    .    2]" 1 
       147 1 19 HIS QB   1 93 ARG H    . . 5.340 4.276 3.674 4.723     .  0 0 "[    .    1    .    2]" 1 
       148 1 20 GLY H    1 94 VAL HA   . . 3.690 2.607 2.323 3.112     .  0 0 "[    .    1    .    2]" 1 
       149 1 20 GLY H    1 94 VAL MG1  . . 4.870 4.221 3.973 4.852     .  0 0 "[    .    1    .    2]" 1 
       150 1 20 GLY H    1 94 VAL QG   . . 4.160 3.626 3.252 4.061     .  0 0 "[    .    1    .    2]" 1 
       151 1 20 GLY H    1 94 VAL MG2  . . 4.870 3.967 3.391 4.357     .  0 0 "[    .    1    .    2]" 1 
       152 1 20 GLY H    1 95 THR H    . . 4.130 3.151 2.784 3.684     .  0 0 "[    .    1    .    2]" 1 
       153 1 20 GLY HA2  1 21 VAL H    . . 3.430 2.497 2.346 2.664     .  0 0 "[    .    1    .    2]" 1 
       154 1 20 GLY HA2  1 26 ALA MB   . . 3.800 3.135 2.628 3.598     .  0 0 "[    .    1    .    2]" 1 
       155 1 20 GLY HA2  1 94 VAL QG   . . 4.220 3.250 3.087 3.438     .  0 0 "[    .    1    .    2]" 1 
       156 1 20 GLY HA3  1 21 VAL H    . . 3.410 2.660 2.513 2.811     .  0 0 "[    .    1    .    2]" 1 
       157 1 20 GLY HA3  1 26 ALA MB   . . 4.520 3.781 3.360 3.880     .  0 0 "[    .    1    .    2]" 1 
       158 1 20 GLY HA3  1 94 VAL H    . . 5.300 3.974 3.778 4.212     .  0 0 "[    .    1    .    2]" 1 
       159 1 20 GLY HA3  1 94 VAL MG1  . . 4.380 2.530 2.259 3.330     .  0 0 "[    .    1    .    2]" 1 
       160 1 20 GLY HA3  1 94 VAL QG   . . 3.750 2.007 1.929 2.137     .  0 0 "[    .    1    .    2]" 1 
       161 1 20 GLY HA3  1 94 VAL MG2  . . 4.380 2.134 2.039 2.272     .  0 0 "[    .    1    .    2]" 1 
       162 1 21 VAL H    1 21 VAL HB   . . 4.040 3.073 2.810 3.465     .  0 0 "[    .    1    .    2]" 1 
       163 1 21 VAL H    1 22 VAL H    . . 5.060 4.166 3.738 4.403     .  0 0 "[    .    1    .    2]" 1 
       164 1 21 VAL H    1 22 VAL QG   . . 4.810 4.668 4.381 4.747     .  0 0 "[    .    1    .    2]" 1 
       165 1 21 VAL H    1 26 ALA MB   . . 4.600 2.928 2.407 3.301     .  0 0 "[    .    1    .    2]" 1 
       166 1 21 VAL H    1 94 VAL QG   . . 4.900 2.643 2.323 3.301     .  0 0 "[    .    1    .    2]" 1 
       167 1 21 VAL HA   1 22 VAL H    . . 3.150 2.183 2.069 2.366     .  0 0 "[    .    1    .    2]" 1 
       168 1 21 VAL HB   1 22 VAL H    . . 4.500 4.204 4.007 4.387     .  0 0 "[    .    1    .    2]" 1 
       169 1 21 VAL QG   1 22 VAL H    . . 3.700 2.714 2.118 3.149     .  0 0 "[    .    1    .    2]" 1 
       170 1 21 VAL QG   1 24 LYS H    . . 3.980 3.321 3.084 3.490     .  0 0 "[    .    1    .    2]" 1 
       171 1 21 VAL QG   1 24 LYS QB   . . 4.060 2.344 2.127 3.401     .  0 0 "[    .    1    .    2]" 1 
       172 1 21 VAL QG   1 24 LYS QE   . . 5.110 3.378 1.959 4.517     .  0 0 "[    .    1    .    2]" 1 
       173 1 21 VAL QG   1 95 THR H    . . 5.440 4.255 3.945 4.519     .  0 0 "[    .    1    .    2]" 1 
       174 1 21 VAL MG1  1 24 LYS H    . . 5.050 3.437 3.108 3.694     .  0 0 "[    .    1    .    2]" 1 
       175 1 21 VAL MG2  1 24 LYS H    . . 5.050 4.677 3.685 5.172 0.122 14 0 "[    .    1    .    2]" 1 
       176 1 22 VAL H    1 22 VAL HB   . . 3.690 2.416 2.105 2.596     .  0 0 "[    .    1    .    2]" 1 
       177 1 22 VAL H    1 22 VAL QG   . . 3.910 2.335 1.991 2.954     .  0 0 "[    .    1    .    2]" 1 
       178 1 22 VAL H    1 94 VAL QG   . . 3.860 2.910 2.450 3.477     .  0 0 "[    .    1    .    2]" 1 
       179 1 22 VAL H    1 95 THR H    . . 4.950 4.300 3.599 4.977 0.027 19 0 "[    .    1    .    2]" 1 
       180 1 22 VAL H    1 95 THR MG   . . 5.500 4.596 3.745 5.570 0.070 20 0 "[    .    1    .    2]" 1 
       181 1 22 VAL H    1 96 GLY QA   . . 5.340 3.383 2.736 4.020     .  0 0 "[    .    1    .    2]" 1 
       182 1 22 VAL HA   1 23 ASN H    . . 3.230 2.143 2.033 2.215     .  0 0 "[    .    1    .    2]" 1 
       183 1 22 VAL HA   1 23 ASN HA   . . 4.540 4.299 4.222 4.394     .  0 0 "[    .    1    .    2]" 1 
       184 1 22 VAL HA   1 24 LYS H    . . 4.300 3.497 3.054 3.744     .  0 0 "[    .    1    .    2]" 1 
       185 1 22 VAL HA   1 68 PRO HG2  . . 4.040 2.547 2.310 3.015     .  0 0 "[    .    1    .    2]" 1 
       186 1 22 VAL HA   1 68 PRO HG3  . . 4.980 4.154 3.932 4.393     .  0 0 "[    .    1    .    2]" 1 
       187 1 22 VAL HA   1 94 VAL QG   . . 4.190 2.868 2.480 3.184     .  0 0 "[    .    1    .    2]" 1 
       188 1 22 VAL HB   1 23 ASN H    . . 4.350 4.204 4.023 4.371 0.021 18 0 "[    .    1    .    2]" 1 
       189 1 22 VAL HB   1 23 ASN QD   . . 4.600 4.352 3.952 4.610 0.010 19 0 "[    .    1    .    2]" 1 
       190 1 22 VAL HB   1 96 GLY QA   . . 4.990 2.393 2.049 3.277     .  0 0 "[    .    1    .    2]" 1 
       191 1 22 VAL QG   1 23 ASN H    . . 3.630 2.575 2.093 2.974     .  0 0 "[    .    1    .    2]" 1 
       192 1 22 VAL QG   1 23 ASN QB   . . 3.940 3.121 2.633 3.494     .  0 0 "[    .    1    .    2]" 1 
       193 1 22 VAL QG   1 23 ASN QD   . . 3.720 2.185 1.797 2.574     .  0 0 "[    .    1    .    2]" 1 
       194 1 22 VAL QG   1 68 PRO QB   . . 4.470 2.916 2.261 3.152     .  0 0 "[    .    1    .    2]" 1 
       195 1 22 VAL QG   1 69 VAL HA   . . 4.300 3.064 2.376 3.663     .  0 0 "[    .    1    .    2]" 1 
       196 1 22 VAL QG   1 70 LEU H    . . 4.830 2.973 2.576 3.253     .  0 0 "[    .    1    .    2]" 1 
       197 1 22 VAL QG   1 71 PRO QD   . . 3.340 1.978 1.860 2.058     .  0 0 "[    .    1    .    2]" 1 
       198 1 22 VAL QG   1 71 PRO QG   . . 4.180 2.383 2.035 3.150     .  0 0 "[    .    1    .    2]" 1 
       199 1 22 VAL QG   1 72 GLY H    . . 5.280 3.990 3.434 4.853     .  0 0 "[    .    1    .    2]" 1 
       200 1 22 VAL QG   1 95 THR H    . . 5.440 4.150 3.509 5.073     .  0 0 "[    .    1    .    2]" 1 
       201 1 22 VAL QG   1 96 GLY QA   . . 3.340 2.195 1.972 2.599     .  0 0 "[    .    1    .    2]" 1 
       202 1 22 VAL QG   1 97 ASP H    . . 4.120 3.268 2.491 3.841     .  0 0 "[    .    1    .    2]" 1 
       203 1 22 VAL QG   1 98 ASP H    . . 4.600 3.906 2.519 4.606 0.006 13 0 "[    .    1    .    2]" 1 
       204 1 23 ASN H    1 24 LYS H    . . 3.790 2.864 2.673 3.034     .  0 0 "[    .    1    .    2]" 1 
       205 1 23 ASN H    1 67 LEU HA   . . 5.500 5.463 5.171 5.601 0.101  6 0 "[    .    1    .    2]" 1 
       206 1 23 ASN H    1 67 LEU QD   . . 4.430 3.321 2.934 3.616     .  0 0 "[    .    1    .    2]" 1 
       207 1 23 ASN H    1 68 PRO QD   . . 5.330 4.215 3.911 4.586     .  0 0 "[    .    1    .    2]" 1 
       208 1 23 ASN H    1 68 PRO HG2  . . 4.360 3.499 2.996 3.777     .  0 0 "[    .    1    .    2]" 1 
       209 1 23 ASN H    1 69 VAL HA   . . 3.880 2.967 2.710 3.153     .  0 0 "[    .    1    .    2]" 1 
       210 1 23 ASN H    1 69 VAL QG   . . 4.510 4.102 3.762 4.377     .  0 0 "[    .    1    .    2]" 1 
       211 1 23 ASN HA   1 67 LEU MD1  . . 4.760 4.321 2.987 4.802 0.042 19 0 "[    .    1    .    2]" 1 
       212 1 23 ASN HA   1 67 LEU QD   . . 3.630 2.599 2.206 3.049     .  0 0 "[    .    1    .    2]" 1 
       213 1 23 ASN HA   1 67 LEU MD2  . . 4.760 2.624 2.272 3.084     .  0 0 "[    .    1    .    2]" 1 
       214 1 23 ASN HA   1 69 VAL QG   . . 4.580 3.664 3.128 4.182     .  0 0 "[    .    1    .    2]" 1 
       215 1 23 ASN QB   1 24 LYS H    . . 4.170 3.775 3.573 3.884     .  0 0 "[    .    1    .    2]" 1 
       216 1 23 ASN QB   1 67 LEU QD   . . 4.850 3.911 3.518 4.338     .  0 0 "[    .    1    .    2]" 1 
       217 1 24 LYS H    1 24 LYS QB   . . 3.280 2.587 2.386 2.981     .  0 0 "[    .    1    .    2]" 1 
       218 1 24 LYS H    1 67 LEU QD   . . 4.090 2.905 2.615 3.240     .  0 0 "[    .    1    .    2]" 1 
       219 1 24 LYS H    1 68 PRO HG2  . . 4.700 4.134 3.390 4.721 0.021 19 0 "[    .    1    .    2]" 1 
       220 1 24 LYS HA   1 24 LYS QD   . . 4.110 2.995 2.350 3.916     .  0 0 "[    .    1    .    2]" 1 
       221 1 24 LYS HA   1 25 PRO HD2  . . 3.510 2.999 2.751 3.358     .  0 0 "[    .    1    .    2]" 1 
       222 1 24 LYS HA   1 25 PRO HD3  . . 3.350 1.973 1.899 2.438     .  0 0 "[    .    1    .    2]" 1 
       223 1 24 LYS HA   1 25 PRO QG   . . 4.610 3.814 3.547 4.251     .  0 0 "[    .    1    .    2]" 1 
       224 1 24 LYS HA   1 67 LEU QD   . . 4.430 2.687 2.376 3.136     .  0 0 "[    .    1    .    2]" 1 
       225 1 24 LYS QB   1 25 PRO HD2  . . 3.540 3.606 2.184 3.993 0.453  8 0 "[    .    1    .    2]" 1 
       226 1 24 LYS QB   1 25 PRO HD3  . . 4.280 3.536 2.550 3.718     .  0 0 "[    .    1    .    2]" 1 
       227 1 24 LYS QD   1 25 PRO HD2  . . 4.030 2.440 2.068 3.868     .  0 0 "[    .    1    .    2]" 1 
       228 1 24 LYS QD   1 25 PRO HD3  . . 4.770 2.976 2.262 4.074     .  0 0 "[    .    1    .    2]" 1 
       229 1 24 LYS QE   1 24 LYS QG   . . 3.300 2.296 2.073 2.739     .  0 0 "[    .    1    .    2]" 1 
       230 1 24 LYS QG   1 25 PRO HD2  . . 4.270 2.555 2.112 3.716     .  0 0 "[    .    1    .    2]" 1 
       231 1 24 LYS QG   1 25 PRO HD3  . . 4.890 3.226 2.578 4.019     .  0 0 "[    .    1    .    2]" 1 
       232 1 25 PRO HA   1 26 ALA H    . . 3.140 2.115 2.042 2.329     .  0 0 "[    .    1    .    2]" 1 
       233 1 25 PRO HA   1 67 LEU QB   . . 4.600 3.416 2.707 4.127     .  0 0 "[    .    1    .    2]" 1 
       234 1 25 PRO HA   1 67 LEU MD1  . . 4.550 3.901 3.659 4.685 0.135  8 0 "[    .    1    .    2]" 1 
       235 1 25 PRO HA   1 67 LEU QD   . . 3.900 2.736 2.160 3.080     .  0 0 "[    .    1    .    2]" 1 
       236 1 25 PRO HA   1 67 LEU MD2  . . 4.550 2.826 2.164 3.259     .  0 0 "[    .    1    .    2]" 1 
       237 1 25 PRO QB   1 26 ALA H    . . 3.880 3.163 2.822 3.491     .  0 0 "[    .    1    .    2]" 1 
       238 1 25 PRO QB   1 27 THR MG   . . 4.310 3.460 3.061 3.848     .  0 0 "[    .    1    .    2]" 1 
       239 1 25 PRO HD2  1 67 LEU QD   . . 4.980 4.004 3.843 4.250     .  0 0 "[    .    1    .    2]" 1 
       240 1 25 PRO HD3  1 67 LEU QD   . . 4.220 2.912 2.705 3.393     .  0 0 "[    .    1    .    2]" 1 
       241 1 25 PRO HD3  1 67 LEU HG   . . 5.500 3.714 2.896 4.535     .  0 0 "[    .    1    .    2]" 1 
       242 1 26 ALA H    1 26 ALA MB   . . 3.580 2.449 2.292 2.617     .  0 0 "[    .    1    .    2]" 1 
       243 1 26 ALA H    1 27 THR H    . . 5.470 4.543 4.436 4.629     .  0 0 "[    .    1    .    2]" 1 
       244 1 26 ALA H    1 27 THR HA   . . 5.290 5.101 4.842 5.328 0.038  9 0 "[    .    1    .    2]" 1 
       245 1 26 ALA H    1 66 TYR QB   . . 5.340 4.946 4.811 5.033     .  0 0 "[    .    1    .    2]" 1 
       246 1 26 ALA H    1 67 LEU HA   . . 4.430 2.957 2.680 3.292     .  0 0 "[    .    1    .    2]" 1 
       247 1 26 ALA H    1 67 LEU QB   . . 5.220 4.300 3.891 4.796     .  0 0 "[    .    1    .    2]" 1 
       248 1 26 ALA H    1 67 LEU QD   . . 5.010 3.949 3.509 4.446     .  0 0 "[    .    1    .    2]" 1 
       249 1 26 ALA H    1 67 LEU HG   . . 5.500 4.128 3.572 5.514 0.014 13 0 "[    .    1    .    2]" 1 
       250 1 26 ALA H    1 68 PRO QD   . . 5.350 3.184 2.661 3.744     .  0 0 "[    .    1    .    2]" 1 
       251 1 26 ALA HA   1 27 THR H    . . 3.180 2.332 2.224 2.428     .  0 0 "[    .    1    .    2]" 1 
       252 1 26 ALA MB   1 27 THR H    . . 3.840 2.725 2.582 3.036     .  0 0 "[    .    1    .    2]" 1 
       253 1 26 ALA MB   1 66 TYR H    . . 4.460 3.871 3.643 4.130     .  0 0 "[    .    1    .    2]" 1 
       254 1 26 ALA MB   1 68 PRO HD2  . . 4.400 3.137 2.633 3.481     .  0 0 "[    .    1    .    2]" 1 
       255 1 26 ALA MB   1 68 PRO HD3  . . 4.400 2.758 2.174 3.191     .  0 0 "[    .    1    .    2]" 1 
       256 1 27 THR H    1 27 THR HB   . . 4.050 3.886 3.479 3.975     .  0 0 "[    .    1    .    2]" 1 
       257 1 27 THR H    1 27 THR MG   . . 3.840 3.093 2.550 3.246     .  0 0 "[    .    1    .    2]" 1 
       258 1 27 THR H    1 28 PHE H    . . 4.560 4.463 4.397 4.499     .  0 0 "[    .    1    .    2]" 1 
       259 1 27 THR H    1 66 TYR H    . . 5.500 4.984 4.871 5.125     .  0 0 "[    .    1    .    2]" 1 
       260 1 27 THR HA   1 27 THR MG   . . 3.610 2.508 2.349 3.272     .  0 0 "[    .    1    .    2]" 1 
       261 1 27 THR HA   1 28 PHE H    . . 3.100 2.281 2.175 2.381     .  0 0 "[    .    1    .    2]" 1 
       262 1 27 THR HA   1 65 SER QB   . . 5.340 4.386 3.634 5.011     .  0 0 "[    .    1    .    2]" 1 
       263 1 27 THR HA   1 66 TYR QD   . . 5.160 3.201 2.953 3.675     .  0 0 "[    .    1    .    2]" 1 
       264 1 27 THR HB   1 28 PHE H    . . 3.780 2.527 2.307 3.753     .  0 0 "[    .    1    .    2]" 1 
       265 1 27 THR HB   1 66 TYR QE   . . 5.500 5.470 5.014 5.649 0.149 13 0 "[    .    1    .    2]" 1 
       266 1 27 THR MG   1 28 PHE H    . . 4.120 3.729 3.571 3.898     .  0 0 "[    .    1    .    2]" 1 
       267 1 27 THR MG   1 65 SER HA   . . 4.090 2.339 2.129 4.075     .  0 0 "[    .    1    .    2]" 1 
       268 1 27 THR MG   1 65 SER HB2  . . 4.380 3.715 2.470 4.319     .  0 0 "[    .    1    .    2]" 1 
       269 1 27 THR MG   1 65 SER QB   . . 3.770 2.763 2.137 3.437     .  0 0 "[    .    1    .    2]" 1 
       270 1 27 THR MG   1 65 SER HB3  . . 4.380 2.973 2.201 3.867     .  0 0 "[    .    1    .    2]" 1 
       271 1 27 THR MG   1 66 TYR QD   . . 5.480 4.513 4.330 5.460     .  0 0 "[    .    1    .    2]" 1 
       272 1 28 PHE H    1 28 PHE QD   . . 4.620 3.315 3.058 3.599     .  0 0 "[    .    1    .    2]" 1 
       273 1 28 PHE H    1 64 VAL HB   . . 5.040 3.771 3.034 4.555     .  0 0 "[    .    1    .    2]" 1 
       274 1 28 PHE H    1 64 VAL MG1  . . 5.500 4.131 3.467 5.076     .  0 0 "[    .    1    .    2]" 1 
       275 1 28 PHE H    1 64 VAL MG2  . . 5.500 5.105 4.608 5.593 0.093  2 0 "[    .    1    .    2]" 1 
       276 1 28 PHE HA   1 29 THR H    . . 3.420 2.501 2.291 2.675     .  0 0 "[    .    1    .    2]" 1 
       277 1 28 PHE QB   1 29 THR H    . . 3.400 2.298 2.189 2.535     .  0 0 "[    .    1    .    2]" 1 
       278 1 28 PHE QD   1 29 THR H    . . 4.090 2.957 2.574 3.448     .  0 0 "[    .    1    .    2]" 1 
       279 1 28 PHE QD   1 30 VAL QG   . . 3.880 2.674 2.264 3.578     .  0 0 "[    .    1    .    2]" 1 
       280 1 28 PHE QE   1 42 LEU QD   . . 3.970 2.673 2.108 3.121     .  0 0 "[    .    1    .    2]" 1 
       281 1 28 PHE QE   1 64 VAL QG   . . 3.930 2.588 2.368 3.077     .  0 0 "[    .    1    .    2]" 1 
       282 1 28 PHE QE   1 76 ILE MG   . . 3.700 2.820 2.325 3.250     .  0 0 "[    .    1    .    2]" 1 
       283 1 28 PHE QE   1 78 VAL QG   . . 4.930 3.064 2.472 3.680     .  0 0 "[    .    1    .    2]" 1 
       284 1 28 PHE HZ   1 30 VAL QG   . . 4.050 3.920 3.406 4.081 0.031  4 0 "[    .    1    .    2]" 1 
       285 1 28 PHE HZ   1 44 ILE MD   . . 4.880 3.637 2.574 4.967 0.087 13 0 "[    .    1    .    2]" 1 
       286 1 28 PHE HZ   1 64 VAL MG1  . . 4.990 2.901 2.426 3.384     .  0 0 "[    .    1    .    2]" 1 
       287 1 28 PHE HZ   1 64 VAL QG   . . 4.070 2.661 2.307 3.075     .  0 0 "[    .    1    .    2]" 1 
       288 1 28 PHE HZ   1 64 VAL MG2  . . 4.990 3.237 2.442 3.946     .  0 0 "[    .    1    .    2]" 1 
       289 1 28 PHE HZ   1 76 ILE MD   . . 4.690 4.657 4.320 4.809 0.119 12 0 "[    .    1    .    2]" 1 
       290 1 28 PHE HZ   1 76 ILE MG   . . 5.460 2.762 2.274 3.148     .  0 0 "[    .    1    .    2]" 1 
       291 1 28 PHE HZ   1 78 VAL QG   . . 4.720 3.120 2.555 3.777     .  0 0 "[    .    1    .    2]" 1 
       292 1 29 THR H    1 29 THR HB   . . 3.590 2.614 2.477 2.821     .  0 0 "[    .    1    .    2]" 1 
       293 1 29 THR HA   1 30 VAL H    . . 3.110 2.161 1.921 2.366     .  0 0 "[    .    1    .    2]" 1 
       294 1 29 THR HA   1 30 VAL QG   . . 4.370 3.400 2.857 4.263     .  0 0 "[    .    1    .    2]" 1 
       295 1 29 THR HB   1 30 VAL H    . . 4.620 4.011 3.757 4.349     .  0 0 "[    .    1    .    2]" 1 
       296 1 29 THR MG   1 30 VAL H    . . 3.310 2.492 2.219 3.080     .  0 0 "[    .    1    .    2]" 1 
       297 1 29 THR MG   1 31 ASN HA   . . 4.660 4.041 3.295 4.648     .  0 0 "[    .    1    .    2]" 1 
       298 1 29 THR MG   1 31 ASN QB   . . 4.330 2.973 2.242 4.337 0.007 19 0 "[    .    1    .    2]" 1 
       299 1 29 THR MG   1 61 THR HA   . . 5.500 4.519 3.316 5.237     .  0 0 "[    .    1    .    2]" 1 
       300 1 29 THR MG   1 61 THR HB   . . 3.790 3.156 2.357 3.801 0.011 19 0 "[    .    1    .    2]" 1 
       301 1 29 THR MG   1 62 CYS H    . . 4.700 4.379 3.295 4.733 0.033  2 0 "[    .    1    .    2]" 1 
       302 1 30 VAL H    1 30 VAL HB   . . 3.710 3.645 2.497 3.803 0.093 19 0 "[    .    1    .    2]" 1 
       303 1 30 VAL H    1 30 VAL MG1  . . 4.720 3.338 2.611 3.552     .  0 0 "[    .    1    .    2]" 1 
       304 1 30 VAL H    1 30 VAL QG   . . 3.820 2.314 1.984 3.083     .  0 0 "[    .    1    .    2]" 1 
       305 1 30 VAL H    1 30 VAL MG2  . . 4.720 2.488 2.007 4.114     .  0 0 "[    .    1    .    2]" 1 
       306 1 30 VAL H    1 61 THR HB   . . 4.520 3.797 3.157 4.366     .  0 0 "[    .    1    .    2]" 1 
       307 1 30 VAL H    1 62 CYS H    . . 4.000 3.361 2.043 3.945     .  0 0 "[    .    1    .    2]" 1 
       308 1 30 VAL HA   1 31 ASN H    . . 3.120 2.186 1.878 2.621     .  0 0 "[    .    1    .    2]" 1 
       309 1 30 VAL HA   1 62 CYS H    . . 5.500 4.863 4.415 5.171     .  0 0 "[    .    1    .    2]" 1 
       310 1 30 VAL HA   1 62 CYS QB   . . 5.340 5.084 4.325 5.243     .  0 0 "[    .    1    .    2]" 1 
       311 1 30 VAL HB   1 62 CYS H    . . 3.840 3.940 3.624 4.366 0.526  3 1 "[  + .    1    .    2]" 1 
       312 1 30 VAL HB   1 62 CYS HB2  . . 4.000 4.067 3.668 4.289 0.289  4 0 "[    .    1    .    2]" 1 
       313 1 30 VAL HB   1 62 CYS QB   . . 3.470 3.268 2.884 3.644 0.174 19 0 "[    .    1    .    2]" 1 
       314 1 30 VAL HB   1 62 CYS HB3  . . 4.000 3.466 2.954 3.990     .  0 0 "[    .    1    .    2]" 1 
       315 1 30 VAL QG   1 31 ASN H    . . 3.500 3.230 2.910 3.560 0.060  5 0 "[    .    1    .    2]" 1 
       316 1 30 VAL QG   1 64 VAL H    . . 4.950 3.201 2.257 4.909     .  0 0 "[    .    1    .    2]" 1 
       317 1 30 VAL QG   1 64 VAL HB   . . 5.050 3.668 2.749 4.926     .  0 0 "[    .    1    .    2]" 1 
       318 1 30 VAL MG1  1 31 ASN H    . . 4.980 3.686 3.183 4.368     .  0 0 "[    .    1    .    2]" 1 
       319 1 30 VAL MG2  1 31 ASN H    . . 4.980 3.697 3.016 3.950     .  0 0 "[    .    1    .    2]" 1 
       320 1 31 ASN H    1 31 ASN HB2  . . 3.890 3.023 2.398 3.866     .  0 0 "[    .    1    .    2]" 1 
       321 1 31 ASN H    1 31 ASN QB   . . 3.390 2.474 2.072 3.246     .  0 0 "[    .    1    .    2]" 1 
       322 1 31 ASN H    1 31 ASN HB3  . . 3.890 2.666 2.206 3.487     .  0 0 "[    .    1    .    2]" 1 
       323 1 31 ASN H    1 32 THR MG   . . 5.380 4.273 3.090 5.243     .  0 0 "[    .    1    .    2]" 1 
       324 1 31 ASN HA   1 32 THR H    . . 3.470 2.222 2.078 2.544     .  0 0 "[    .    1    .    2]" 1 
       325 1 31 ASN HA   1 33 LYS H    . . 5.500 3.976 3.040 5.362     .  0 0 "[    .    1    .    2]" 1 
       326 1 31 ASN HA   1 61 THR HA   . . 4.340 2.587 2.057 3.415     .  0 0 "[    .    1    .    2]" 1 
       327 1 31 ASN HA   1 61 THR MG   . . 4.380 3.112 2.222 4.312     .  0 0 "[    .    1    .    2]" 1 
       328 1 31 ASN QB   1 61 THR MG   . . 5.070 3.394 2.210 4.962     .  0 0 "[    .    1    .    2]" 1 
       329 1 32 THR H    1 32 THR MG   . . 4.170 2.544 2.321 2.831     .  0 0 "[    .    1    .    2]" 1 
       330 1 32 THR H    1 33 LYS H    . . 4.050 3.197 2.500 4.158 0.108  4 0 "[    .    1    .    2]" 1 
       331 1 32 THR H    1 61 THR HA   . . 4.890 2.828 1.995 4.328     .  0 0 "[    .    1    .    2]" 1 
       332 1 32 THR HA   1 32 THR MG   . . 3.330 2.282 2.205 2.370     .  0 0 "[    .    1    .    2]" 1 
       333 1 32 THR HA   1 35 ALA MB   . . 4.350 2.789 2.175 3.951     .  0 0 "[    .    1    .    2]" 1 
       334 1 32 THR HB   1 33 LYS QG   . . 5.500 5.519 5.139 5.698 0.198 15 0 "[    .    1    .    2]" 1 
       335 1 32 THR HB   1 35 ALA MB   . . 3.680 2.645 1.915 3.729 0.049  7 0 "[    .    1    .    2]" 1 
       336 1 32 THR HB   1 80 TYR QE   . . 4.490 4.040 2.408 4.578 0.088 17 0 "[    .    1    .    2]" 1 
       337 1 32 THR MG   1 80 TYR QD   . . 4.690 3.739 3.026 4.333     .  0 0 "[    .    1    .    2]" 1 
       338 1 32 THR MG   1 80 TYR QE   . . 3.890 2.870 2.141 3.917 0.027 19 0 "[    .    1    .    2]" 1 
       339 1 33 LYS H    1 33 LYS QB   . . 3.570 2.566 2.113 3.419     .  0 0 "[    .    1    .    2]" 1 
       340 1 33 LYS H    1 33 LYS QG   . . 4.020 2.289 1.809 3.058     .  0 0 "[    .    1    .    2]" 1 
       341 1 33 LYS HA   1 33 LYS QG   . . 3.930 2.754 2.145 3.403     .  0 0 "[    .    1    .    2]" 1 
       342 1 33 LYS QB   1 34 ASP H    . . 4.140 2.931 1.927 3.614     .  0 0 "[    .    1    .    2]" 1 
       343 1 33 LYS HB2  1 34 ASP H    . . 4.930 3.353 1.966 4.401     .  0 0 "[    .    1    .    2]" 1 
       344 1 33 LYS HB3  1 34 ASP H    . . 4.930 3.536 2.617 4.176     .  0 0 "[    .    1    .    2]" 1 
       345 1 33 LYS QG   1 34 ASP H    . . 4.400 3.332 1.803 4.308     .  0 0 "[    .    1    .    2]" 1 
       346 1 34 ASP H    1 34 ASP QB   . . 3.660 2.631 2.202 3.271     .  0 0 "[    .    1    .    2]" 1 
       347 1 34 ASP H    1 35 ALA H    . . 3.680 2.522 1.866 3.143     .  0 0 "[    .    1    .    2]" 1 
       348 1 35 ALA H    1 35 ALA MB   . . 3.320 2.224 2.112 2.879     .  0 0 "[    .    1    .    2]" 1 
       349 1 35 ALA H    1 36 GLY H    . . 3.780 2.930 2.458 3.832 0.052  2 0 "[    .    1    .    2]" 1 
       350 1 35 ALA MB   1 36 GLY H    . . 3.920 2.879 2.392 3.722     .  0 0 "[    .    1    .    2]" 1 
       351 1 35 ALA MB   1 80 TYR QE   . . 4.110 2.601 2.179 2.997     .  0 0 "[    .    1    .    2]" 1 
       352 1 37 GLU H    1 37 GLU QB   . . 3.690 2.491 2.112 3.455     .  0 0 "[    .    1    .    2]" 1 
       353 1 37 GLU H    1 37 GLU QG   . . 4.060 3.183 2.127 4.158 0.098 17 0 "[    .    1    .    2]" 1 
       354 1 37 GLU HA   1 38 GLY H    . . 3.130 3.019 2.179 3.326 0.196  2 0 "[    .    1    .    2]" 1 
       355 1 37 GLU QB   1 38 GLY H    . . 4.460 3.573 3.064 4.081     .  0 0 "[    .    1    .    2]" 1 
       356 1 37 GLU HB2  1 38 GLY H    . . 5.180 4.025 3.432 4.589     .  0 0 "[    .    1    .    2]" 1 
       357 1 37 GLU HB3  1 38 GLY H    . . 5.180 4.108 3.171 4.572     .  0 0 "[    .    1    .    2]" 1 
       358 1 38 GLY H    1 39 GLY H    . . 4.660 3.587 1.810 4.601     .  0 0 "[    .    1    .    2]" 1 
       359 1 39 GLY H    1 40 LEU H    . . 4.100 3.038 2.102 4.159 0.059 18 0 "[    .    1    .    2]" 1 
       360 1 39 GLY QA   1 40 LEU H    . . 3.040 2.625 2.117 2.979     .  0 0 "[    .    1    .    2]" 1 
       361 1 40 LEU H    1 40 LEU HB2  . . 3.760 2.833 2.248 3.666     .  0 0 "[    .    1    .    2]" 1 
       362 1 40 LEU H    1 40 LEU QB   . . 3.210 2.287 2.140 2.633     .  0 0 "[    .    1    .    2]" 1 
       363 1 40 LEU H    1 40 LEU HB3  . . 3.760 2.536 2.263 2.786     .  0 0 "[    .    1    .    2]" 1 
       364 1 40 LEU H    1 40 LEU QD   . . 4.220 3.195 1.904 3.928     .  0 0 "[    .    1    .    2]" 1 
       365 1 40 LEU HA   1 40 LEU QD   . . 3.720 2.818 2.115 3.360     .  0 0 "[    .    1    .    2]" 1 
       366 1 40 LEU HA   1 41 SER H    . . 3.130 2.252 2.086 2.611     .  0 0 "[    .    1    .    2]" 1 
       367 1 40 LEU HA   1 80 TYR QE   . . 5.210 4.303 3.266 5.060     .  0 0 "[    .    1    .    2]" 1 
       368 1 40 LEU QB   1 41 SER H    . . 4.270 3.342 1.977 3.904     .  0 0 "[    .    1    .    2]" 1 
       369 1 40 LEU QB   1 80 TYR QD   . . 3.900 2.335 1.993 2.930     .  0 0 "[    .    1    .    2]" 1 
       370 1 40 LEU QB   1 80 TYR QE   . . 4.430 2.743 2.330 3.127     .  0 0 "[    .    1    .    2]" 1 
       371 1 40 LEU QD   1 41 SER H    . . 3.500 2.602 2.222 2.943     .  0 0 "[    .    1    .    2]" 1 
       372 1 40 LEU QD   1 62 CYS QB   . . 4.180 2.831 2.147 3.469     .  0 0 "[    .    1    .    2]" 1 
       373 1 40 LEU QD   1 79 LYS H    . . 4.870 3.760 3.360 4.691     .  0 0 "[    .    1    .    2]" 1 
       374 1 40 LEU QD   1 80 TYR QD   . . 3.840 2.850 2.117 3.857 0.017 17 0 "[    .    1    .    2]" 1 
       375 1 40 LEU MD1  1 80 TYR QD   . . 4.700 3.792 2.123 4.697     .  0 0 "[    .    1    .    2]" 1 
       376 1 40 LEU MD2  1 80 TYR QD   . . 4.700 3.511 2.252 4.166     .  0 0 "[    .    1    .    2]" 1 
       377 1 40 LEU HG   1 41 SER H    . . 4.960 4.139 2.399 4.993 0.033 20 0 "[    .    1    .    2]" 1 
       378 1 41 SER H    1 41 SER QB   . . 3.610 2.708 2.540 2.891     .  0 0 "[    .    1    .    2]" 1 
       379 1 41 SER H    1 42 LEU H    . . 4.960 4.306 2.824 4.481     .  0 0 "[    .    1    .    2]" 1 
       380 1 41 SER H    1 79 LYS H    . . 4.050 3.407 3.140 4.059 0.009  9 0 "[    .    1    .    2]" 1 
       381 1 41 SER H    1 79 LYS QB   . . 4.850 3.358 2.867 3.737     .  0 0 "[    .    1    .    2]" 1 
       382 1 41 SER HA   1 42 LEU H    . . 3.040 2.310 2.161 2.675     .  0 0 "[    .    1    .    2]" 1 
       383 1 41 SER HA   1 42 LEU HG   . . 4.340 3.989 3.487 4.627 0.287  4 0 "[    .    1    .    2]" 1 
       384 1 41 SER QB   1 42 LEU H    . . 3.990 3.404 2.805 3.822     .  0 0 "[    .    1    .    2]" 1 
       385 1 41 SER QB   1 79 LYS QB   . . 3.790 2.748 2.309 3.155     .  0 0 "[    .    1    .    2]" 1 
       386 1 42 LEU H    1 42 LEU QB   . . 3.430 2.919 2.404 3.267     .  0 0 "[    .    1    .    2]" 1 
       387 1 42 LEU H    1 42 LEU MD1  . . 4.320 3.651 2.031 4.122     .  0 0 "[    .    1    .    2]" 1 
       388 1 42 LEU H    1 42 LEU QD   . . 3.700 3.261 2.013 3.711 0.011 14 0 "[    .    1    .    2]" 1 
       389 1 42 LEU H    1 42 LEU MD2  . . 4.320 3.839 3.308 4.382 0.062 14 0 "[    .    1    .    2]" 1 
       390 1 42 LEU H    1 42 LEU HG   . . 4.610 2.884 2.327 4.113     .  0 0 "[    .    1    .    2]" 1 
       391 1 42 LEU HA   1 42 LEU QD   . . 3.870 2.972 2.106 3.470     .  0 0 "[    .    1    .    2]" 1 
       392 1 42 LEU HA   1 42 LEU HG   . . 4.130 3.626 2.636 4.192 0.062  4 0 "[    .    1    .    2]" 1 
       393 1 42 LEU HA   1 43 ALA H    . . 3.060 2.290 2.107 2.416     .  0 0 "[    .    1    .    2]" 1 
       394 1 42 LEU HA   1 43 ALA MB   . . 4.710 3.983 3.905 4.107     .  0 0 "[    .    1    .    2]" 1 
       395 1 42 LEU HA   1 78 VAL QG   . . 4.610 3.655 2.941 4.074     .  0 0 "[    .    1    .    2]" 1 
       396 1 42 LEU QB   1 76 ILE MG   . . 4.660 3.515 3.123 4.395     .  0 0 "[    .    1    .    2]" 1 
       397 1 42 LEU QB   1 78 VAL QG   . . 4.120 2.754 1.919 3.916     .  0 0 "[    .    1    .    2]" 1 
       398 1 42 LEU QD   1 43 ALA H    . . 4.420 3.108 2.917 3.289     .  0 0 "[    .    1    .    2]" 1 
       399 1 42 LEU QD   1 43 ALA HA   . . 5.240 3.483 2.641 4.801     .  0 0 "[    .    1    .    2]" 1 
       400 1 42 LEU QD   1 64 VAL QG   . . 3.730 1.766 1.640 1.930     .  0 0 "[    .    1    .    2]" 1 
       401 1 42 LEU QD   1 78 VAL HA   . . 5.440 3.032 2.055 4.048     .  0 0 "[    .    1    .    2]" 1 
       402 1 42 LEU QD   1 78 VAL QG   . . 3.580 2.061 1.789 3.084     .  0 0 "[    .    1    .    2]" 1 
       403 1 42 LEU HG   1 43 ALA H    . . 5.330 4.687 4.050 5.031     .  0 0 "[    .    1    .    2]" 1 
       404 1 42 LEU HG   1 64 VAL MG1  . . 4.360 4.203 3.676 4.392 0.032  3 0 "[    .    1    .    2]" 1 
       405 1 42 LEU HG   1 64 VAL QG   . . 3.180 3.174 2.569 3.310 0.130 20 0 "[    .    1    .    2]" 1 
       406 1 42 LEU HG   1 64 VAL MG2  . . 4.360 3.290 2.623 3.461     .  0 0 "[    .    1    .    2]" 1 
       407 1 43 ALA H    1 43 ALA MB   . . 3.320 2.734 2.641 2.835     .  0 0 "[    .    1    .    2]" 1 
       408 1 43 ALA H    1 76 ILE MG   . . 4.710 4.039 3.671 4.348     .  0 0 "[    .    1    .    2]" 1 
       409 1 43 ALA H    1 77 LEU H    . . 4.040 3.211 2.807 3.441     .  0 0 "[    .    1    .    2]" 1 
       410 1 43 ALA H    1 77 LEU HB2  . . 5.050 2.962 2.596 3.209     .  0 0 "[    .    1    .    2]" 1 
       411 1 43 ALA H    1 77 LEU QB   . . 4.370 2.885 2.554 3.080     .  0 0 "[    .    1    .    2]" 1 
       412 1 43 ALA H    1 77 LEU HB3  . . 5.050 4.022 3.603 4.331     .  0 0 "[    .    1    .    2]" 1 
       413 1 43 ALA H    1 77 LEU QD   . . 5.440 4.238 3.712 4.561     .  0 0 "[    .    1    .    2]" 1 
       414 1 43 ALA HA   1 44 ILE H    . . 3.030 2.399 2.156 2.520     .  0 0 "[    .    1    .    2]" 1 
       415 1 43 ALA HA   1 52 ILE MD   . . 4.140 2.896 2.124 4.214 0.074  8 0 "[    .    1    .    2]" 1 
       416 1 43 ALA MB   1 44 ILE H    . . 3.550 2.477 2.181 3.410     .  0 0 "[    .    1    .    2]" 1 
       417 1 43 ALA MB   1 45 GLU QG   . . 4.250 3.730 3.252 4.234     .  0 0 "[    .    1    .    2]" 1 
       418 1 43 ALA MB   1 77 LEU QB   . . 3.800 2.510 2.100 3.018     .  0 0 "[    .    1    .    2]" 1 
       419 1 43 ALA MB   1 77 LEU QD   . . 4.110 3.277 2.608 3.956     .  0 0 "[    .    1    .    2]" 1 
       420 1 44 ILE H    1 44 ILE HB   . . 3.670 2.663 2.435 3.071     .  0 0 "[    .    1    .    2]" 1 
       421 1 44 ILE H    1 44 ILE MD   . . 4.890 3.175 2.762 4.801     .  0 0 "[    .    1    .    2]" 1 
       422 1 44 ILE H    1 44 ILE HG12 . . 5.500 4.792 4.470 5.001     .  0 0 "[    .    1    .    2]" 1 
       423 1 44 ILE H    1 44 ILE QG   . . 4.670 3.979 3.797 4.301     .  0 0 "[    .    1    .    2]" 1 
       424 1 44 ILE H    1 44 ILE HG13 . . 5.500 4.254 4.093 4.690     .  0 0 "[    .    1    .    2]" 1 
       425 1 44 ILE H    1 44 ILE MG   . . 4.490 3.704 2.684 3.856     .  0 0 "[    .    1    .    2]" 1 
       426 1 44 ILE H    1 52 ILE MD   . . 4.410 2.668 1.929 4.160     .  0 0 "[    .    1    .    2]" 1 
       427 1 44 ILE HA   1 44 ILE MD   . . 4.440 3.148 2.926 3.646     .  0 0 "[    .    1    .    2]" 1 
       428 1 44 ILE HA   1 44 ILE HG12 . . 4.180 3.506 3.129 3.587     .  0 0 "[    .    1    .    2]" 1 
       429 1 44 ILE HA   1 44 ILE HG13 . . 4.180 2.257 2.180 2.329     .  0 0 "[    .    1    .    2]" 1 
       430 1 44 ILE HA   1 45 GLU H    . . 3.190 2.099 2.008 2.305     .  0 0 "[    .    1    .    2]" 1 
       431 1 44 ILE HA   1 76 ILE HA   . . 4.040 2.679 2.517 2.864     .  0 0 "[    .    1    .    2]" 1 
       432 1 44 ILE HA   1 76 ILE MD   . . 5.500 3.652 3.322 4.186     .  0 0 "[    .    1    .    2]" 1 
       433 1 44 ILE HA   1 76 ILE MG   . . 5.290 3.909 3.669 4.390     .  0 0 "[    .    1    .    2]" 1 
       434 1 44 ILE HA   1 77 LEU H    . . 4.140 3.193 2.911 3.528     .  0 0 "[    .    1    .    2]" 1 
       435 1 44 ILE HA   1 77 LEU QD   . . 4.640 3.109 2.493 3.955     .  0 0 "[    .    1    .    2]" 1 
       436 1 44 ILE HB   1 45 GLU H    . . 4.440 4.268 4.135 4.422     .  0 0 "[    .    1    .    2]" 1 
       437 1 44 ILE HB   1 50 ALA H    . . 4.760 4.303 3.031 4.838 0.078 13 0 "[    .    1    .    2]" 1 
       438 1 44 ILE HB   1 50 ALA MB   . . 4.450 3.351 2.410 4.329     .  0 0 "[    .    1    .    2]" 1 
       439 1 44 ILE MD   1 44 ILE MG   . . 3.450 3.105 2.221 3.240     .  0 0 "[    .    1    .    2]" 1 
       440 1 44 ILE MD   1 50 ALA MB   . . 3.930 3.716 2.538 3.990 0.060 11 0 "[    .    1    .    2]" 1 
       441 1 44 ILE MD   1 52 ILE MD   . . 3.810 2.164 1.989 2.526     .  0 0 "[    .    1    .    2]" 1 
       442 1 44 ILE MD   1 52 ILE QG   . . 4.670 3.053 2.070 4.004     .  0 0 "[    .    1    .    2]" 1 
       443 1 44 ILE MD   1 66 TYR QB   . . 3.690 3.167 2.691 3.576     .  0 0 "[    .    1    .    2]" 1 
       444 1 44 ILE MD   1 76 ILE MD   . . 4.110 2.813 2.094 3.916     .  0 0 "[    .    1    .    2]" 1 
       445 1 44 ILE MD   1 76 ILE QG   . . 5.280 4.159 2.415 4.621     .  0 0 "[    .    1    .    2]" 1 
       446 1 44 ILE MD   1 76 ILE MG   . . 4.210 2.488 2.219 2.943     .  0 0 "[    .    1    .    2]" 1 
       447 1 44 ILE QG   1 45 GLU H    . . 4.920 3.627 2.484 3.896     .  0 0 "[    .    1    .    2]" 1 
       448 1 44 ILE QG   1 52 ILE MD   . . 4.440 3.715 3.429 3.910     .  0 0 "[    .    1    .    2]" 1 
       449 1 44 ILE QG   1 74 TYR QD   . . 5.010 3.888 2.551 4.439     .  0 0 "[    .    1    .    2]" 1 
       450 1 44 ILE QG   1 76 ILE HA   . . 4.610 2.411 2.106 2.739     .  0 0 "[    .    1    .    2]" 1 
       451 1 44 ILE QG   1 76 ILE MD   . . 3.680 2.074 1.922 2.702     .  0 0 "[    .    1    .    2]" 1 
       452 1 44 ILE QG   1 76 ILE QG   . . 4.130 3.626 2.247 3.984     .  0 0 "[    .    1    .    2]" 1 
       453 1 44 ILE HG12 1 76 ILE MG   . . 4.660 3.726 3.310 4.662 0.002 13 0 "[    .    1    .    2]" 1 
       454 1 44 ILE HG13 1 76 ILE MG   . . 4.660 2.639 2.220 3.439     .  0 0 "[    .    1    .    2]" 1 
       455 1 44 ILE MG   1 45 GLU H    . . 3.790 2.648 2.305 3.179     .  0 0 "[    .    1    .    2]" 1 
       456 1 44 ILE MG   1 50 ALA MB   . . 3.840 2.647 2.274 3.102     .  0 0 "[    .    1    .    2]" 1 
       457 1 44 ILE MG   1 74 TYR QB   . . 4.040 2.601 2.235 4.058 0.018 13 0 "[    .    1    .    2]" 1 
       458 1 44 ILE MG   1 74 TYR QD   . . 3.750 2.139 1.974 2.975     .  0 0 "[    .    1    .    2]" 1 
       459 1 45 GLU H    1 45 GLU QB   . . 3.640 2.493 2.316 2.768     .  0 0 "[    .    1    .    2]" 1 
       460 1 45 GLU H    1 45 GLU QG   . . 4.120 3.247 2.916 3.506     .  0 0 "[    .    1    .    2]" 1 
       461 1 45 GLU H    1 46 GLY H    . . 4.580 4.479 4.432 4.536     .  0 0 "[    .    1    .    2]" 1 
       462 1 45 GLU H    1 75 SER QB   . . 4.220 3.214 2.871 3.450     .  0 0 "[    .    1    .    2]" 1 
       463 1 45 GLU H    1 76 ILE HA   . . 4.660 3.824 3.571 4.033     .  0 0 "[    .    1    .    2]" 1 
       464 1 45 GLU H    1 76 ILE MD   . . 5.500 4.265 4.012 4.599     .  0 0 "[    .    1    .    2]" 1 
       465 1 45 GLU HA   1 45 GLU QG   . . 3.900 2.579 2.189 2.874     .  0 0 "[    .    1    .    2]" 1 
       466 1 45 GLU HA   1 46 GLY H    . . 2.990 2.493 2.321 2.673     .  0 0 "[    .    1    .    2]" 1 
       467 1 45 GLU QB   1 46 GLY H    . . 3.660 2.307 2.078 2.527     .  0 0 "[    .    1    .    2]" 1 
       468 1 45 GLU QB   1 75 SER H    . . 4.090 3.405 2.709 3.651     .  0 0 "[    .    1    .    2]" 1 
       469 1 45 GLU QB   1 75 SER QB   . . 3.390 2.226 2.014 2.406     .  0 0 "[    .    1    .    2]" 1 
       470 1 45 GLU HB2  1 46 GLY H    . . 4.420 3.671 3.099 3.909     .  0 0 "[    .    1    .    2]" 1 
       471 1 45 GLU HB2  1 75 SER QB   . . 4.180 2.259 2.025 2.456     .  0 0 "[    .    1    .    2]" 1 
       472 1 45 GLU HB3  1 46 GLY H    . . 4.420 2.332 2.111 2.561     .  0 0 "[    .    1    .    2]" 1 
       473 1 45 GLU HB3  1 75 SER QB   . . 4.180 3.374 3.023 3.624     .  0 0 "[    .    1    .    2]" 1 
       474 1 45 GLU QG   1 46 GLY H    . . 4.290 3.879 3.341 4.213     .  0 0 "[    .    1    .    2]" 1 
       475 1 45 GLU QG   1 77 LEU QD   . . 3.760 2.512 2.140 3.695     .  0 0 "[    .    1    .    2]" 1 
       476 1 46 GLY QA   1 47 PRO QD   . . 2.920 2.043 1.982 2.095     .  0 0 "[    .    1    .    2]" 1 
       477 1 46 GLY QA   1 48 SER H    . . 4.160 2.986 2.819 3.245     .  0 0 "[    .    1    .    2]" 1 
       478 1 46 GLY QA   1 74 TYR QD   . . 4.920 3.412 2.751 3.859     .  0 0 "[    .    1    .    2]" 1 
       479 1 46 GLY HA2  1 47 PRO HD2  . . 3.790 3.084 2.899 3.586     .  0 0 "[    .    1    .    2]" 1 
       480 1 46 GLY HA2  1 47 PRO HD3  . . 3.790 2.976 2.737 3.465     .  0 0 "[    .    1    .    2]" 1 
       481 1 46 GLY HA2  1 48 SER H    . . 4.940 4.233 4.075 4.478     .  0 0 "[    .    1    .    2]" 1 
       482 1 46 GLY HA3  1 47 PRO HD2  . . 3.790 2.162 2.069 2.255     .  0 0 "[    .    1    .    2]" 1 
       483 1 46 GLY HA3  1 47 PRO HD3  . . 3.790 3.103 2.677 3.307     .  0 0 "[    .    1    .    2]" 1 
       484 1 46 GLY HA3  1 48 SER H    . . 4.940 3.053 2.874 3.335     .  0 0 "[    .    1    .    2]" 1 
       485 1 47 PRO QD   1 48 SER H    . . 4.060 2.500 2.399 2.624     .  0 0 "[    .    1    .    2]" 1 
       486 1 47 PRO QD   1 74 TYR QE   . . 4.550 3.205 2.876 3.582     .  0 0 "[    .    1    .    2]" 1 
       487 1 47 PRO HG2  1 48 SER H    . . 4.240 2.457 2.224 2.631     .  0 0 "[    .    1    .    2]" 1 
       488 1 47 PRO HG2  1 48 SER HB2  . . 4.300 2.772 2.685 2.901     .  0 0 "[    .    1    .    2]" 1 
       489 1 47 PRO HG2  1 48 SER HB3  . . 4.300 2.768 2.715 2.851     .  0 0 "[    .    1    .    2]" 1 
       490 1 47 PRO HG2  1 74 TYR QE   . . 4.430 3.539 3.117 4.107     .  0 0 "[    .    1    .    2]" 1 
       491 1 47 PRO HG3  1 72 GLY QA   . . 4.640 2.152 2.061 2.311     .  0 0 "[    .    1    .    2]" 1 
       492 1 47 PRO HG3  1 73 ASP H    . . 4.990 3.718 3.520 3.977     .  0 0 "[    .    1    .    2]" 1 
       493 1 47 PRO HG3  1 74 TYR QE   . . 5.470 3.769 3.403 4.436     .  0 0 "[    .    1    .    2]" 1 
       494 1 48 SER QB   1 69 VAL QG   . . 3.770 3.483 3.148 3.694     .  0 0 "[    .    1    .    2]" 1 
       495 1 48 SER QB   1 70 LEU H    . . 4.610 3.619 2.993 3.923     .  0 0 "[    .    1    .    2]" 1 
       496 1 48 SER QB   1 70 LEU QB   . . 3.750 2.470 2.157 2.832     .  0 0 "[    .    1    .    2]" 1 
       497 1 48 SER QB   1 70 LEU QD   . . 4.160 2.937 2.468 3.410     .  0 0 "[    .    1    .    2]" 1 
       498 1 48 SER HB2  1 49 LYS H    . . 4.220 3.955 3.625 4.316 0.096 11 0 "[    .    1    .    2]" 1 
       499 1 48 SER HB3  1 49 LYS H    . . 4.220 3.467 3.039 4.253 0.033 13 0 "[    .    1    .    2]" 1 
       500 1 49 LYS H    1 49 LYS QB   . . 3.600 2.601 2.263 2.868     .  0 0 "[    .    1    .    2]" 1 
       501 1 49 LYS HA   1 50 ALA H    . . 3.050 2.316 2.052 2.793     .  0 0 "[    .    1    .    2]" 1 
       502 1 49 LYS HA   1 50 ALA MB   . . 4.620 3.848 3.641 4.040     .  0 0 "[    .    1    .    2]" 1 
       503 1 49 LYS QB   1 50 ALA H    . . 4.220 2.840 1.966 4.009     .  0 0 "[    .    1    .    2]" 1 
       504 1 49 LYS HB2  1 50 ALA H    . . 4.890 3.762 1.976 4.508     .  0 0 "[    .    1    .    2]" 1 
       505 1 49 LYS HB3  1 50 ALA H    . . 4.890 3.123 2.148 4.512     .  0 0 "[    .    1    .    2]" 1 
       506 1 50 ALA H    1 50 ALA MB   . . 3.440 2.457 2.130 2.723     .  0 0 "[    .    1    .    2]" 1 
       507 1 50 ALA HA   1 51 GLU H    . . 2.940 2.338 2.196 2.671     .  0 0 "[    .    1    .    2]" 1 
       508 1 50 ALA MB   1 51 GLU H    . . 3.580 2.613 2.193 3.293     .  0 0 "[    .    1    .    2]" 1 
       509 1 50 ALA MB   1 52 ILE MD   . . 4.530 3.500 2.309 4.376     .  0 0 "[    .    1    .    2]" 1 
       510 1 50 ALA MB   1 66 TYR HA   . . 4.590 3.826 3.440 4.452     .  0 0 "[    .    1    .    2]" 1 
       511 1 50 ALA MB   1 66 TYR HB2  . . 4.410 2.307 2.090 2.525     .  0 0 "[    .    1    .    2]" 1 
       512 1 50 ALA MB   1 66 TYR QB   . . 3.650 2.284 2.072 2.496     .  0 0 "[    .    1    .    2]" 1 
       513 1 50 ALA MB   1 66 TYR HB3  . . 4.410 3.681 3.399 3.928     .  0 0 "[    .    1    .    2]" 1 
       514 1 50 ALA MB   1 66 TYR QD   . . 4.440 2.303 1.986 2.797     .  0 0 "[    .    1    .    2]" 1 
       515 1 50 ALA MB   1 67 LEU H    . . 3.890 2.300 1.768 3.230     .  0 0 "[    .    1    .    2]" 1 
       516 1 50 ALA MB   1 68 PRO QD   . . 4.790 3.418 2.733 4.344     .  0 0 "[    .    1    .    2]" 1 
       517 1 50 ALA MB   1 74 TYR QD   . . 5.070 3.530 2.724 4.127     .  0 0 "[    .    1    .    2]" 1 
       518 1 50 ALA MB   1 74 TYR QE   . . 4.060 2.765 2.318 3.292     .  0 0 "[    .    1    .    2]" 1 
       519 1 51 GLU H    1 51 GLU QB   . . 3.040 2.318 2.128 2.593     .  0 0 "[    .    1    .    2]" 1 
       520 1 51 GLU H    1 51 GLU HG2  . . 4.700 4.380 2.176 4.557     .  0 0 "[    .    1    .    2]" 1 
       521 1 51 GLU H    1 51 GLU QG   . . 4.100 3.926 2.149 4.126 0.026  7 0 "[    .    1    .    2]" 1 
       522 1 51 GLU H    1 51 GLU HG3  . . 4.700 4.471 3.330 4.725 0.025  7 0 "[    .    1    .    2]" 1 
       523 1 51 GLU H    1 67 LEU H    . . 4.170 2.921 2.290 4.061     .  0 0 "[    .    1    .    2]" 1 
       524 1 51 GLU HA   1 52 ILE H    . . 2.960 2.258 2.071 3.135 0.175  1 0 "[    .    1    .    2]" 1 
       525 1 51 GLU QB   1 52 ILE H    . . 4.450 3.877 3.459 4.086     .  0 0 "[    .    1    .    2]" 1 
       526 1 51 GLU QB   1 66 TYR HA   . . 5.170 4.340 2.515 5.089     .  0 0 "[    .    1    .    2]" 1 
       527 1 51 GLU HB2  1 52 ILE H    . . 5.310 4.388 3.944 4.625     .  0 0 "[    .    1    .    2]" 1 
       528 1 51 GLU HB3  1 52 ILE H    . . 5.310 4.319 3.827 4.550     .  0 0 "[    .    1    .    2]" 1 
       529 1 51 GLU QG   1 52 ILE H    . . 4.390 3.126 2.460 3.817     .  0 0 "[    .    1    .    2]" 1 
       530 1 52 ILE H    1 52 ILE HB   . . 3.560 2.621 2.085 3.566 0.006  1 0 "[    .    1    .    2]" 1 
       531 1 52 ILE H    1 52 ILE MD   . . 4.360 3.351 2.070 3.971     .  0 0 "[    .    1    .    2]" 1 
       532 1 52 ILE H    1 52 ILE HG12 . . 4.220 2.942 2.069 3.818     .  0 0 "[    .    1    .    2]" 1 
       533 1 52 ILE H    1 52 ILE QG   . . 3.510 2.373 1.934 3.383     .  0 0 "[    .    1    .    2]" 1 
       534 1 52 ILE H    1 52 ILE HG13 . . 4.220 3.084 1.953 4.287 0.067 14 0 "[    .    1    .    2]" 1 
       535 1 52 ILE HA   1 53 SER H    . . 3.040 2.174 2.101 2.251     .  0 0 "[    .    1    .    2]" 1 
       536 1 52 ILE HA   1 64 VAL QG   . . 4.850 3.772 2.968 4.288     .  0 0 "[    .    1    .    2]" 1 
       537 1 52 ILE HB   1 52 ILE MD   . . 3.680 2.815 2.346 3.302     .  0 0 "[    .    1    .    2]" 1 
       538 1 52 ILE MD   1 64 VAL QG   . . 4.470 3.779 2.764 4.350     .  0 0 "[    .    1    .    2]" 1 
       539 1 52 ILE MG   1 53 SER H    . . 3.840 2.757 2.385 3.639     .  0 0 "[    .    1    .    2]" 1 
       540 1 52 ILE MG   1 64 VAL QG   . . 3.440 2.495 2.106 3.266     .  0 0 "[    .    1    .    2]" 1 
       541 1 53 SER H    1 53 SER QB   . . 3.680 2.678 2.351 2.827     .  0 0 "[    .    1    .    2]" 1 
       542 1 53 SER H    1 64 VAL QG   . . 4.180 3.299 2.243 4.161     .  0 0 "[    .    1    .    2]" 1 
       543 1 53 SER H    1 65 SER H    . . 3.890 3.289 2.947 3.867     .  0 0 "[    .    1    .    2]" 1 
       544 1 53 SER H    1 66 TYR HA   . . 5.190 3.689 3.158 4.722     .  0 0 "[    .    1    .    2]" 1 
       545 1 53 SER HA   1 54 CYS H    . . 3.090 2.383 2.182 2.620     .  0 0 "[    .    1    .    2]" 1 
       546 1 53 SER QB   1 54 CYS H    . . 4.380 3.175 2.352 4.019     .  0 0 "[    .    1    .    2]" 1 
       547 1 53 SER QB   1 65 SER H    . . 4.380 3.578 3.206 3.955     .  0 0 "[    .    1    .    2]" 1 
       548 1 53 SER HB2  1 54 CYS H    . . 5.120 4.042 3.662 4.609     .  0 0 "[    .    1    .    2]" 1 
       549 1 53 SER HB3  1 54 CYS H    . . 5.120 3.362 2.381 4.471     .  0 0 "[    .    1    .    2]" 1 
       550 1 54 CYS H    1 54 CYS HB2  . . 4.170 3.704 2.567 4.031     .  0 0 "[    .    1    .    2]" 1 
       551 1 54 CYS H    1 54 CYS QB   . . 3.630 3.012 2.513 3.283     .  0 0 "[    .    1    .    2]" 1 
       552 1 54 CYS H    1 54 CYS HB3  . . 4.170 3.315 2.626 3.885     .  0 0 "[    .    1    .    2]" 1 
       553 1 54 CYS HA   1 55 THR H    . . 3.150 2.378 2.219 2.550     .  0 0 "[    .    1    .    2]" 1 
       554 1 54 CYS HA   1 64 VAL HA   . . 3.550 2.401 2.065 3.154     .  0 0 "[    .    1    .    2]" 1 
       555 1 54 CYS HA   1 64 VAL QG   . . 4.470 3.200 2.207 4.065     .  0 0 "[    .    1    .    2]" 1 
       556 1 54 CYS HA   1 65 SER H    . . 4.970 3.225 2.736 3.637     .  0 0 "[    .    1    .    2]" 1 
       557 1 54 CYS QB   1 64 VAL QG   . . 3.910 2.679 2.106 3.404     .  0 0 "[    .    1    .    2]" 1 
       558 1 55 THR H    1 55 THR HB   . . 3.860 2.755 2.316 2.984     .  0 0 "[    .    1    .    2]" 1 
       559 1 55 THR H    1 63 SER H    . . 4.140 4.184 3.649 4.317 0.177  8 0 "[    .    1    .    2]" 1 
       560 1 55 THR H    1 63 SER HB2  . . 4.430 3.515 2.780 4.564 0.134 17 0 "[    .    1    .    2]" 1 
       561 1 55 THR H    1 63 SER HB3  . . 4.430 4.120 2.940 4.513 0.083 14 0 "[    .    1    .    2]" 1 
       562 1 55 THR HA   1 56 ASP H    . . 3.190 2.200 2.104 2.384     .  0 0 "[    .    1    .    2]" 1 
       563 1 55 THR HB   1 56 ASP H    . . 4.430 4.197 3.693 4.487 0.057  8 0 "[    .    1    .    2]" 1 
       564 1 55 THR HB   1 63 SER H    . . 4.850 4.500 3.047 4.965 0.115  3 0 "[    .    1    .    2]" 1 
       565 1 55 THR HB   1 63 SER QB   . . 4.220 2.279 1.878 2.867     .  0 0 "[    .    1    .    2]" 1 
       566 1 55 THR MG   1 56 ASP H    . . 4.030 2.939 2.184 3.711     .  0 0 "[    .    1    .    2]" 1 
       567 1 56 ASP H    1 56 ASP HB2  . . 3.790 2.755 2.210 3.683     .  0 0 "[    .    1    .    2]" 1 
       568 1 56 ASP H    1 56 ASP HB3  . . 3.790 2.745 2.284 3.598     .  0 0 "[    .    1    .    2]" 1 
       569 1 57 ASN H    1 57 ASN HB2  . . 4.130 2.848 2.116 4.097     .  0 0 "[    .    1    .    2]" 1 
       570 1 57 ASN H    1 57 ASN QB   . . 3.610 2.549 2.093 3.426     .  0 0 "[    .    1    .    2]" 1 
       571 1 57 ASN H    1 57 ASN HB3  . . 4.130 3.287 2.232 3.996     .  0 0 "[    .    1    .    2]" 1 
       572 1 57 ASN H    1 58 GLN H    . . 4.310 4.291 3.039 4.498 0.188  5 0 "[    .    1    .    2]" 1 
       573 1 57 ASN QB   1 59 ASP H    . . 4.120 3.124 2.305 4.191 0.071 11 0 "[    .    1    .    2]" 1 
       574 1 58 GLN H    1 59 ASP H    . . 4.010 2.864 2.124 3.820     .  0 0 "[    .    1    .    2]" 1 
       575 1 58 GLN QB   1 59 ASP H    . . 4.040 3.195 2.183 4.047 0.007  8 0 "[    .    1    .    2]" 1 
       576 1 59 ASP H    1 59 ASP QB   . . 3.670 2.352 2.185 2.903     .  0 0 "[    .    1    .    2]" 1 
       577 1 59 ASP H    1 60 GLY H    . . 3.510 2.478 1.775 2.680     .  0 0 "[    .    1    .    2]" 1 
       578 1 59 ASP H    1 60 GLY QA   . . 5.030 4.425 3.986 4.602     .  0 0 "[    .    1    .    2]" 1 
       579 1 59 ASP H    1 61 THR H    . . 4.410 3.794 2.865 4.337     .  0 0 "[    .    1    .    2]" 1 
       580 1 59 ASP H    1 61 THR MG   . . 4.800 4.486 2.793 4.882 0.082 13 0 "[    .    1    .    2]" 1 
       581 1 60 GLY H    1 61 THR H    . . 3.920 2.508 1.881 2.879     .  0 0 "[    .    1    .    2]" 1 
       582 1 61 THR H    1 61 THR MG   . . 3.880 2.560 2.216 3.105     .  0 0 "[    .    1    .    2]" 1 
       583 1 61 THR HA   1 62 CYS H    . . 3.320 2.327 2.086 2.590     .  0 0 "[    .    1    .    2]" 1 
       584 1 61 THR HB   1 62 CYS H    . . 3.790 2.960 2.272 3.885 0.095  4 0 "[    .    1    .    2]" 1 
       585 1 61 THR MG   1 62 CYS H    . . 3.800 3.706 3.227 3.873 0.073  9 0 "[    .    1    .    2]" 1 
       586 1 61 THR MG   1 63 SER H    . . 4.800 3.923 2.329 4.855 0.055  9 0 "[    .    1    .    2]" 1 
       587 1 62 CYS H    1 62 CYS QB   . . 3.470 2.396 1.999 2.554     .  0 0 "[    .    1    .    2]" 1 
       588 1 62 CYS H    1 63 SER HA   . . 5.500 4.429 3.972 5.276     .  0 0 "[    .    1    .    2]" 1 
       589 1 62 CYS QB   1 63 SER H    . . 4.370 3.732 3.399 4.043     .  0 0 "[    .    1    .    2]" 1 
       590 1 62 CYS QB   1 63 SER HA   . . 5.340 4.771 4.453 5.046     .  0 0 "[    .    1    .    2]" 1 
       591 1 62 CYS QB   1 64 VAL QG   . . 4.400 3.336 2.141 3.836     .  0 0 "[    .    1    .    2]" 1 
       592 1 62 CYS HB2  1 63 SER H    . . 5.100 4.398 4.093 4.658     .  0 0 "[    .    1    .    2]" 1 
       593 1 62 CYS HB3  1 63 SER H    . . 5.100 4.039 3.632 4.437     .  0 0 "[    .    1    .    2]" 1 
       594 1 63 SER H    1 63 SER HB2  . . 4.000 2.658 2.292 3.027     .  0 0 "[    .    1    .    2]" 1 
       595 1 63 SER H    1 63 SER QB   . . 3.510 2.582 2.204 2.910     .  0 0 "[    .    1    .    2]" 1 
       596 1 63 SER H    1 63 SER HB3  . . 4.000 3.542 2.864 3.768     .  0 0 "[    .    1    .    2]" 1 
       597 1 63 SER HA   1 64 VAL H    . . 3.200 2.238 2.097 2.532     .  0 0 "[    .    1    .    2]" 1 
       598 1 63 SER HA   1 64 VAL QG   . . 4.590 3.895 3.385 4.293     .  0 0 "[    .    1    .    2]" 1 
       599 1 63 SER HB2  1 64 VAL H    . . 4.680 4.479 4.219 4.675     .  0 0 "[    .    1    .    2]" 1 
       600 1 63 SER HB3  1 64 VAL H    . . 4.680 3.951 3.068 4.498     .  0 0 "[    .    1    .    2]" 1 
       601 1 64 VAL H    1 64 VAL HB   . . 3.660 2.435 2.273 2.758     .  0 0 "[    .    1    .    2]" 1 
       602 1 64 VAL H    1 64 VAL QG   . . 3.630 2.495 2.146 3.066     .  0 0 "[    .    1    .    2]" 1 
       603 1 64 VAL HA   1 65 SER H    . . 3.100 2.106 1.980 2.178     .  0 0 "[    .    1    .    2]" 1 
       604 1 64 VAL QG   1 65 SER H    . . 3.520 2.640 2.365 3.182     .  0 0 "[    .    1    .    2]" 1 
       605 1 65 SER HA   1 66 TYR H    . . 3.160 2.205 2.146 2.289     .  0 0 "[    .    1    .    2]" 1 
       606 1 65 SER QB   1 66 TYR H    . . 3.670 3.035 2.524 3.488     .  0 0 "[    .    1    .    2]" 1 
       607 1 66 TYR HA   1 67 LEU H    . . 3.270 2.468 2.162 2.623     .  0 0 "[    .    1    .    2]" 1 
       608 1 66 TYR HA   1 67 LEU HB2  . . 5.500 3.834 3.671 4.132     .  0 0 "[    .    1    .    2]" 1 
       609 1 66 TYR HA   1 67 LEU QB   . . 4.810 3.672 3.549 3.841     .  0 0 "[    .    1    .    2]" 1 
       610 1 66 TYR HA   1 67 LEU HB3  . . 5.500 4.815 4.152 5.401     .  0 0 "[    .    1    .    2]" 1 
       611 1 66 TYR QB   1 67 LEU H    . . 4.050 2.383 2.135 2.743     .  0 0 "[    .    1    .    2]" 1 
       612 1 66 TYR HB2  1 67 LEU H    . . 4.830 2.408 2.151 2.794     .  0 0 "[    .    1    .    2]" 1 
       613 1 66 TYR HB3  1 67 LEU H    . . 4.830 3.802 3.595 4.006     .  0 0 "[    .    1    .    2]" 1 
       614 1 66 TYR QD   1 68 PRO QD   . . 5.350 2.603 2.287 3.149     .  0 0 "[    .    1    .    2]" 1 
       615 1 66 TYR QE   1 68 PRO QD   . . 5.350 3.036 2.758 3.516     .  0 0 "[    .    1    .    2]" 1 
       616 1 66 TYR QE   1 68 PRO HG3  . . 5.220 3.174 2.534 4.046     .  0 0 "[    .    1    .    2]" 1 
       617 1 67 LEU H    1 67 LEU HB2  . . 4.110 2.899 2.438 3.235     .  0 0 "[    .    1    .    2]" 1 
       618 1 67 LEU H    1 67 LEU QB   . . 3.340 2.631 2.393 2.738     .  0 0 "[    .    1    .    2]" 1 
       619 1 67 LEU H    1 67 LEU HB3  . . 4.110 3.137 2.737 3.485     .  0 0 "[    .    1    .    2]" 1 
       620 1 67 LEU HA   1 67 LEU MD1  . . 4.660 3.776 3.489 3.880     .  0 0 "[    .    1    .    2]" 1 
       621 1 67 LEU HA   1 67 LEU QD   . . 3.730 2.236 2.107 2.465     .  0 0 "[    .    1    .    2]" 1 
       622 1 67 LEU HA   1 67 LEU MD2  . . 4.660 2.253 2.124 2.493     .  0 0 "[    .    1    .    2]" 1 
       623 1 67 LEU HA   1 68 PRO HD2  . . 3.680 2.134 2.031 2.265     .  0 0 "[    .    1    .    2]" 1 
       624 1 67 LEU HA   1 68 PRO QD   . . 3.230 2.055 1.984 2.132     .  0 0 "[    .    1    .    2]" 1 
       625 1 67 LEU HA   1 68 PRO HD3  . . 3.680 2.695 2.547 2.844     .  0 0 "[    .    1    .    2]" 1 
       626 1 67 LEU QD   1 68 PRO QD   . . 4.150 2.650 2.397 2.886     .  0 0 "[    .    1    .    2]" 1 
       627 1 68 PRO HA   1 69 VAL H    . . 3.250 2.187 2.075 2.279     .  0 0 "[    .    1    .    2]" 1 
       628 1 68 PRO HA   1 69 VAL QG   . . 4.440 3.248 3.015 3.399     .  0 0 "[    .    1    .    2]" 1 
       629 1 68 PRO HA   1 70 LEU H    . . 4.360 3.893 3.585 4.231     .  0 0 "[    .    1    .    2]" 1 
       630 1 68 PRO QB   1 69 VAL H    . . 3.670 3.167 2.814 3.467     .  0 0 "[    .    1    .    2]" 1 
       631 1 68 PRO QB   1 69 VAL QG   . . 5.280 4.125 3.931 4.305     .  0 0 "[    .    1    .    2]" 1 
       632 1 68 PRO QB   1 94 VAL QG   . . 3.820 2.122 1.926 2.556     .  0 0 "[    .    1    .    2]" 1 
       633 1 68 PRO HB2  1 69 VAL H    . . 4.220 3.355 2.922 3.757     .  0 0 "[    .    1    .    2]" 1 
       634 1 68 PRO HB3  1 69 VAL H    . . 4.220 3.910 3.675 4.098     .  0 0 "[    .    1    .    2]" 1 
       635 1 68 PRO HG2  1 94 VAL QG   . . 3.800 2.473 2.218 2.927     .  0 0 "[    .    1    .    2]" 1 
       636 1 68 PRO HG3  1 94 VAL MG1  . . 4.240 2.412 2.124 3.210     .  0 0 "[    .    1    .    2]" 1 
       637 1 68 PRO HG3  1 94 VAL QG   . . 3.620 2.204 2.033 2.458     .  0 0 "[    .    1    .    2]" 1 
       638 1 68 PRO HG3  1 94 VAL MG2  . . 4.240 2.675 2.192 3.173     .  0 0 "[    .    1    .    2]" 1 
       639 1 69 VAL H    1 69 VAL QG   . . 3.440 2.033 1.929 2.167     .  0 0 "[    .    1    .    2]" 1 
       640 1 69 VAL H    1 70 LEU H    . . 3.400 2.348 2.056 2.637     .  0 0 "[    .    1    .    2]" 1 
       641 1 69 VAL H    1 74 TYR HH   . . 4.610 3.473 2.363 3.936     .  0 0 "[    .    1    .    2]" 1 
       642 1 69 VAL HB   1 70 LEU H    . . 4.420 4.214 4.108 4.339     .  0 0 "[    .    1    .    2]" 1 
       643 1 69 VAL QG   1 70 LEU H    . . 3.960 2.881 2.717 3.119     .  0 0 "[    .    1    .    2]" 1 
       644 1 69 VAL QG   1 70 LEU QB   . . 3.580 2.877 2.464 3.205     .  0 0 "[    .    1    .    2]" 1 
       645 1 69 VAL QG   1 70 LEU HG   . . 5.440 4.262 2.724 5.249     .  0 0 "[    .    1    .    2]" 1 
       646 1 70 LEU H    1 70 LEU HB2  . . 3.680 2.927 2.670 3.196     .  0 0 "[    .    1    .    2]" 1 
       647 1 70 LEU H    1 70 LEU HB3  . . 3.680 3.317 2.883 3.753 0.073  5 0 "[    .    1    .    2]" 1 
       648 1 70 LEU H    1 74 TYR HH   . . 3.900 2.538 2.065 3.374     .  0 0 "[    .    1    .    2]" 1 
       649 1 70 LEU HA   1 70 LEU MD1  . . 4.680 3.587 3.113 3.872     .  0 0 "[    .    1    .    2]" 1 
       650 1 70 LEU HA   1 70 LEU QD   . . 3.590 2.676 2.042 3.056     .  0 0 "[    .    1    .    2]" 1 
       651 1 70 LEU HA   1 70 LEU MD2  . . 4.680 2.880 2.049 3.526     .  0 0 "[    .    1    .    2]" 1 
       652 1 70 LEU HA   1 70 LEU HG   . . 4.010 2.477 2.186 2.878     .  0 0 "[    .    1    .    2]" 1 
       653 1 70 LEU HA   1 71 PRO HD2  . . 3.630 2.651 2.398 2.829     .  0 0 "[    .    1    .    2]" 1 
       654 1 70 LEU HA   1 71 PRO HD3  . . 3.630 2.116 1.976 2.325     .  0 0 "[    .    1    .    2]" 1 
       655 1 70 LEU QB   1 71 PRO QD   . . 3.910 2.983 2.131 3.666     .  0 0 "[    .    1    .    2]" 1 
       656 1 70 LEU HB2  1 71 PRO HD2  . . 5.500 4.219 3.686 4.732     .  0 0 "[    .    1    .    2]" 1 
       657 1 70 LEU HB2  1 71 PRO HD3  . . 5.500 4.584 4.455 4.685     .  0 0 "[    .    1    .    2]" 1 
       658 1 70 LEU HB2  1 74 TYR HH   . . 5.170 4.087 3.278 5.141     .  0 0 "[    .    1    .    2]" 1 
       659 1 70 LEU HB3  1 71 PRO HD2  . . 5.500 3.428 2.168 4.609     .  0 0 "[    .    1    .    2]" 1 
       660 1 70 LEU HB3  1 71 PRO HD3  . . 5.500 4.144 3.350 4.775     .  0 0 "[    .    1    .    2]" 1 
       661 1 70 LEU HB3  1 74 TYR HH   . . 5.170 3.816 2.708 5.271 0.101 15 0 "[    .    1    .    2]" 1 
       662 1 70 LEU QD   1 71 PRO QD   . . 3.450 2.336 1.956 2.787     .  0 0 "[    .    1    .    2]" 1 
       663 1 70 LEU HG   1 71 PRO QD   . . 4.300 2.941 2.062 4.027     .  0 0 "[    .    1    .    2]" 1 
       664 1 71 PRO HA   1 72 GLY H    . . 3.400 2.315 2.184 2.463     .  0 0 "[    .    1    .    2]" 1 
       665 1 71 PRO HA   1 94 VAL HB   . . 3.600 2.835 2.387 3.632 0.032 18 0 "[    .    1    .    2]" 1 
       666 1 71 PRO QB   1 72 GLY H    . . 3.450 2.945 2.566 3.359     .  0 0 "[    .    1    .    2]" 1 
       667 1 71 PRO QB   1 96 GLY QA   . . 3.880 2.911 2.217 3.595     .  0 0 "[    .    1    .    2]" 1 
       668 1 71 PRO QG   1 96 GLY QA   . . 3.980 2.303 2.012 3.024     .  0 0 "[    .    1    .    2]" 1 
       669 1 72 GLY H    1 74 TYR QE   . . 4.350 3.353 2.963 3.989     .  0 0 "[    .    1    .    2]" 1 
       670 1 72 GLY H    1 94 VAL H    . . 3.990 3.793 3.457 4.134 0.144  7 0 "[    .    1    .    2]" 1 
       671 1 72 GLY H    1 94 VAL HA   . . 5.500 4.740 4.452 5.122     .  0 0 "[    .    1    .    2]" 1 
       672 1 72 GLY H    1 94 VAL HB   . . 3.710 2.363 2.055 2.650     .  0 0 "[    .    1    .    2]" 1 
       673 1 72 GLY H    1 94 VAL MG1  . . 5.090 3.673 3.116 4.097     .  0 0 "[    .    1    .    2]" 1 
       674 1 72 GLY H    1 94 VAL QG   . . 4.360 3.299 2.958 3.525     .  0 0 "[    .    1    .    2]" 1 
       675 1 72 GLY H    1 94 VAL MG2  . . 5.090 3.788 3.404 4.260     .  0 0 "[    .    1    .    2]" 1 
       676 1 72 GLY H    1 95 THR HA   . . 5.500 4.708 4.085 5.485     .  0 0 "[    .    1    .    2]" 1 
       677 1 73 ASP H    1 73 ASP HB2  . . 4.060 2.811 2.348 3.716     .  0 0 "[    .    1    .    2]" 1 
       678 1 73 ASP H    1 73 ASP QB   . . 3.380 2.552 2.319 2.857     .  0 0 "[    .    1    .    2]" 1 
       679 1 73 ASP H    1 73 ASP HB3  . . 4.060 3.449 2.778 3.752     .  0 0 "[    .    1    .    2]" 1 
       680 1 73 ASP HA   1 74 TYR H    . . 3.220 2.278 2.141 2.424     .  0 0 "[    .    1    .    2]" 1 
       681 1 73 ASP HA   1 94 VAL H    . . 4.990 3.831 3.564 4.449     .  0 0 "[    .    1    .    2]" 1 
       682 1 73 ASP QB   1 91 THR MG   . . 3.650 2.553 2.261 3.653 0.003 19 0 "[    .    1    .    2]" 1 
       683 1 74 TYR H    1 74 TYR HB2  . . 4.040 2.367 2.217 2.533     .  0 0 "[    .    1    .    2]" 1 
       684 1 74 TYR H    1 74 TYR QB   . . 3.490 2.336 2.194 2.493     .  0 0 "[    .    1    .    2]" 1 
       685 1 74 TYR H    1 74 TYR HB3  . . 4.040 3.592 3.515 3.710     .  0 0 "[    .    1    .    2]" 1 
       686 1 74 TYR H    1 74 TYR QD   . . 3.940 2.359 2.090 2.657     .  0 0 "[    .    1    .    2]" 1 
       687 1 74 TYR H    1 91 THR MG   . . 4.660 3.986 3.308 4.405     .  0 0 "[    .    1    .    2]" 1 
       688 1 74 TYR H    1 92 ALA MB   . . 4.920 3.562 3.155 3.981     .  0 0 "[    .    1    .    2]" 1 
       689 1 74 TYR QB   1 75 SER H    . . 4.250 3.142 2.476 3.762     .  0 0 "[    .    1    .    2]" 1 
       690 1 74 TYR QB   1 76 ILE MD   . . 3.640 3.000 2.688 3.322     .  0 0 "[    .    1    .    2]" 1 
       691 1 74 TYR QB   1 92 ALA MB   . . 4.390 2.447 2.238 2.837     .  0 0 "[    .    1    .    2]" 1 
       692 1 74 TYR QB   1 94 VAL QG   . . 4.870 2.612 2.322 3.114     .  0 0 "[    .    1    .    2]" 1 
       693 1 74 TYR HB2  1 92 ALA MB   . . 5.080 2.505 2.292 2.922     .  0 0 "[    .    1    .    2]" 1 
       694 1 74 TYR HB3  1 92 ALA MB   . . 5.080 3.455 3.131 3.840     .  0 0 "[    .    1    .    2]" 1 
       695 1 74 TYR QD   1 94 VAL H    . . 4.570 3.472 2.959 3.789     .  0 0 "[    .    1    .    2]" 1 
       696 1 74 TYR QD   1 94 VAL HB   . . 4.390 3.277 2.515 3.803     .  0 0 "[    .    1    .    2]" 1 
       697 1 74 TYR QD   1 94 VAL QG   . . 3.910 2.338 2.082 2.574     .  0 0 "[    .    1    .    2]" 1 
       698 1 74 TYR QE   1 94 VAL H    . . 5.050 4.838 4.255 5.120 0.070 15 0 "[    .    1    .    2]" 1 
       699 1 74 TYR QE   1 94 VAL HB   . . 3.690 3.069 2.552 3.708 0.018 16 0 "[    .    1    .    2]" 1 
       700 1 74 TYR QE   1 94 VAL MG1  . . 4.350 3.542 2.809 3.951     .  0 0 "[    .    1    .    2]" 1 
       701 1 74 TYR QE   1 94 VAL QG   . . 3.540 2.845 2.551 3.018     .  0 0 "[    .    1    .    2]" 1 
       702 1 74 TYR QE   1 94 VAL MG2  . . 4.350 3.024 2.671 3.194     .  0 0 "[    .    1    .    2]" 1 
       703 1 75 SER H    1 75 SER QB   . . 3.340 2.476 2.245 2.728     .  0 0 "[    .    1    .    2]" 1 
       704 1 75 SER H    1 91 THR HA   . . 5.220 4.623 4.058 5.091     .  0 0 "[    .    1    .    2]" 1 
       705 1 75 SER HA   1 76 ILE H    . . 3.180 2.177 2.056 2.240     .  0 0 "[    .    1    .    2]" 1 
       706 1 75 SER HA   1 91 THR H    . . 4.650 4.469 2.691 4.797 0.147  7 0 "[    .    1    .    2]" 1 
       707 1 75 SER HA   1 91 THR MG   . . 5.070 3.541 2.941 4.473     .  0 0 "[    .    1    .    2]" 1 
       708 1 75 SER HA   1 92 ALA H    . . 4.570 3.372 2.984 3.662     .  0 0 "[    .    1    .    2]" 1 
       709 1 75 SER HA   1 92 ALA MB   . . 5.500 4.623 4.282 4.953     .  0 0 "[    .    1    .    2]" 1 
       710 1 75 SER QB   1 76 ILE H    . . 4.380 3.383 2.694 3.924     .  0 0 "[    .    1    .    2]" 1 
       711 1 75 SER QB   1 77 LEU QD   . . 3.660 2.477 2.082 2.877     .  0 0 "[    .    1    .    2]" 1 
       712 1 76 ILE H    1 76 ILE HB   . . 3.640 2.824 2.437 3.013     .  0 0 "[    .    1    .    2]" 1 
       713 1 76 ILE H    1 76 ILE MD   . . 3.910 3.123 2.269 3.599     .  0 0 "[    .    1    .    2]" 1 
       714 1 76 ILE H    1 76 ILE QG   . . 3.760 2.493 1.992 3.503     .  0 0 "[    .    1    .    2]" 1 
       715 1 76 ILE H    1 91 THR HA   . . 4.380 3.475 2.796 4.150     .  0 0 "[    .    1    .    2]" 1 
       716 1 76 ILE HA   1 76 ILE MD   . . 4.320 2.648 2.500 3.053     .  0 0 "[    .    1    .    2]" 1 
       717 1 76 ILE HA   1 77 LEU H    . . 3.280 2.137 2.088 2.206     .  0 0 "[    .    1    .    2]" 1 
       718 1 76 ILE HA   1 77 LEU QD   . . 4.330 3.198 2.704 3.546     .  0 0 "[    .    1    .    2]" 1 
       719 1 76 ILE HB   1 90 PHE HB2  . . 4.220 2.168 2.091 2.222     .  0 0 "[    .    1    .    2]" 1 
       720 1 76 ILE HB   1 90 PHE QB   . . 3.540 2.156 2.082 2.209     .  0 0 "[    .    1    .    2]" 1 
       721 1 76 ILE HB   1 90 PHE HB3  . . 4.220 3.834 3.715 3.921     .  0 0 "[    .    1    .    2]" 1 
       722 1 76 ILE HB   1 90 PHE QD   . . 4.320 2.712 2.281 3.387     .  0 0 "[    .    1    .    2]" 1 
       723 1 76 ILE MD   1 90 PHE H    . . 5.500 5.154 4.313 5.505 0.005 11 0 "[    .    1    .    2]" 1 
       724 1 76 ILE MD   1 90 PHE HB2  . . 5.420 4.108 3.001 4.472     .  0 0 "[    .    1    .    2]" 1 
       725 1 76 ILE MD   1 90 PHE QB   . . 4.610 3.895 2.904 4.173     .  0 0 "[    .    1    .    2]" 1 
       726 1 76 ILE MD   1 90 PHE HB3  . . 5.420 4.852 3.868 5.042     .  0 0 "[    .    1    .    2]" 1 
       727 1 76 ILE MD   1 92 ALA H    . . 5.500 3.551 2.481 4.240     .  0 0 "[    .    1    .    2]" 1 
       728 1 76 ILE MD   1 92 ALA MB   . . 3.840 2.443 2.039 3.014     .  0 0 "[    .    1    .    2]" 1 
       729 1 76 ILE QG   1 90 PHE QD   . . 5.340 3.896 3.474 4.384     .  0 0 "[    .    1    .    2]" 1 
       730 1 76 ILE QG   1 92 ALA H    . . 5.340 3.539 2.807 4.758     .  0 0 "[    .    1    .    2]" 1 
       731 1 76 ILE MG   1 77 LEU H    . . 4.070 2.867 2.517 3.286     .  0 0 "[    .    1    .    2]" 1 
       732 1 76 ILE MG   1 78 VAL QG   . . 3.220 2.142 1.975 2.406     .  0 0 "[    .    1    .    2]" 1 
       733 1 76 ILE MG   1 90 PHE H    . . 5.270 4.339 3.795 4.632     .  0 0 "[    .    1    .    2]" 1 
       734 1 76 ILE MG   1 90 PHE QB   . . 4.870 3.601 3.337 3.738     .  0 0 "[    .    1    .    2]" 1 
       735 1 76 ILE MG   1 90 PHE QD   . . 4.390 3.422 2.590 4.240     .  0 0 "[    .    1    .    2]" 1 
       736 1 77 LEU H    1 77 LEU HB2  . . 3.920 2.449 2.254 2.558     .  0 0 "[    .    1    .    2]" 1 
       737 1 77 LEU H    1 77 LEU QB   . . 3.370 2.413 2.230 2.515     .  0 0 "[    .    1    .    2]" 1 
       738 1 77 LEU H    1 77 LEU HB3  . . 3.920 3.644 3.544 3.719     .  0 0 "[    .    1    .    2]" 1 
       739 1 77 LEU H    1 77 LEU QD   . . 3.630 2.483 2.283 2.828     .  0 0 "[    .    1    .    2]" 1 
       740 1 77 LEU H    1 77 LEU HG   . . 4.460 4.241 3.932 4.478 0.018 13 0 "[    .    1    .    2]" 1 
       741 1 77 LEU HA   1 77 LEU HG   . . 4.170 3.801 3.725 3.876     .  0 0 "[    .    1    .    2]" 1 
       742 1 77 LEU HA   1 78 VAL H    . . 3.320 2.315 2.209 2.534     .  0 0 "[    .    1    .    2]" 1 
       743 1 77 LEU HA   1 84 HIS HE1  . . 4.310 3.882 2.644 4.407 0.097  5 0 "[    .    1    .    2]" 1 
       744 1 77 LEU QB   1 84 HIS HE1  . . 4.200 2.558 2.204 3.786     .  0 0 "[    .    1    .    2]" 1 
       745 1 77 LEU QD   1 84 HIS HE1  . . 3.980 2.532 2.176 3.032     .  0 0 "[    .    1    .    2]" 1 
       746 1 77 LEU QD   1 89 PRO HA   . . 4.450 3.421 2.938 3.906     .  0 0 "[    .    1    .    2]" 1 
       747 1 77 LEU QD   1 89 PRO QD   . . 4.660 3.731 3.188 4.020     .  0 0 "[    .    1    .    2]" 1 
       748 1 77 LEU MD1  1 89 PRO HA   . . 5.120 3.531 2.970 4.149     .  0 0 "[    .    1    .    2]" 1 
       749 1 77 LEU MD2  1 89 PRO HA   . . 5.120 4.768 3.893 5.192 0.072  2 0 "[    .    1    .    2]" 1 
       750 1 77 LEU HG   1 84 HIS HE1  . . 4.020 3.746 2.807 4.077 0.057 12 0 "[    .    1    .    2]" 1 
       751 1 78 VAL H    1 78 VAL HB   . . 3.910 2.678 2.534 2.804     .  0 0 "[    .    1    .    2]" 1 
       752 1 78 VAL H    1 78 VAL QG   . . 3.800 2.424 2.222 2.942     .  0 0 "[    .    1    .    2]" 1 
       753 1 78 VAL H    1 85 VAL MG1  . . 4.940 4.373 3.999 4.674     .  0 0 "[    .    1    .    2]" 1 
       754 1 78 VAL H    1 88 SER HB2  . . 4.100 4.110 3.945 4.173 0.073  4 0 "[    .    1    .    2]" 1 
       755 1 78 VAL H    1 88 SER QB   . . 3.590 2.967 2.668 3.161     .  0 0 "[    .    1    .    2]" 1 
       756 1 78 VAL H    1 88 SER HB3  . . 4.100 3.049 2.702 3.283     .  0 0 "[    .    1    .    2]" 1 
       757 1 78 VAL HA   1 79 LYS H    . . 3.140 2.163 2.075 2.247     .  0 0 "[    .    1    .    2]" 1 
       758 1 78 VAL HB   1 79 LYS H    . . 5.140 4.154 3.962 4.463     .  0 0 "[    .    1    .    2]" 1 
       759 1 78 VAL HB   1 85 VAL MG1  . . 3.570 2.500 2.264 2.869     .  0 0 "[    .    1    .    2]" 1 
       760 1 78 VAL HB   1 88 SER HB2  . . 5.050 4.016 3.502 4.512     .  0 0 "[    .    1    .    2]" 1 
       761 1 78 VAL HB   1 88 SER QB   . . 4.210 3.587 3.031 4.018     .  0 0 "[    .    1    .    2]" 1 
       762 1 78 VAL HB   1 88 SER HB3  . . 5.050 4.048 3.319 4.549     .  0 0 "[    .    1    .    2]" 1 
       763 1 78 VAL QG   1 79 LYS H    . . 3.230 2.680 2.400 3.153     .  0 0 "[    .    1    .    2]" 1 
       764 1 78 VAL QG   1 90 PHE QD   . . 3.770 2.871 2.306 3.686     .  0 0 "[    .    1    .    2]" 1 
       765 1 78 VAL QG   1 90 PHE QE   . . 4.040 2.973 2.250 3.823     .  0 0 "[    .    1    .    2]" 1 
       766 1 79 LYS H    1 79 LYS QG   . . 4.620 3.093 2.777 3.271     .  0 0 "[    .    1    .    2]" 1 
       767 1 79 LYS HA   1 80 TYR H    . . 3.260 2.171 2.065 2.292     .  0 0 "[    .    1    .    2]" 1 
       768 1 79 LYS HA   1 83 GLN H    . . 4.700 4.563 3.618 4.773 0.073 12 0 "[    .    1    .    2]" 1 
       769 1 79 LYS HA   1 84 HIS HA   . . 3.820 2.099 2.023 2.300     .  0 0 "[    .    1    .    2]" 1 
       770 1 79 LYS HA   1 85 VAL H    . . 4.200 2.884 2.539 3.504     .  0 0 "[    .    1    .    2]" 1 
       771 1 79 LYS QB   1 80 TYR H    . . 4.360 2.780 2.309 3.754     .  0 0 "[    .    1    .    2]" 1 
       772 1 79 LYS QB   1 81 ASN H    . . 5.340 4.229 3.302 4.591     .  0 0 "[    .    1    .    2]" 1 
       773 1 79 LYS QB   1 82 GLU H    . . 5.340 3.612 2.840 3.978     .  0 0 "[    .    1    .    2]" 1 
       774 1 79 LYS QB   1 83 GLN H    . . 5.300 3.484 2.864 3.716     .  0 0 "[    .    1    .    2]" 1 
       775 1 79 LYS QD   1 82 GLU H    . . 4.660 4.265 3.611 4.685 0.025  9 0 "[    .    1    .    2]" 1 
       776 1 79 LYS QD   1 82 GLU HA   . . 3.890 3.137 2.425 3.824     .  0 0 "[    .    1    .    2]" 1 
       777 1 79 LYS QE   1 79 LYS QG   . . 3.320 2.246 2.079 2.491     .  0 0 "[    .    1    .    2]" 1 
       778 1 79 LYS QG   1 84 HIS HA   . . 4.140 2.452 2.132 3.272     .  0 0 "[    .    1    .    2]" 1 
       779 1 80 TYR H    1 80 TYR HB2  . . 4.120 3.131 2.620 3.446     .  0 0 "[    .    1    .    2]" 1 
       780 1 80 TYR H    1 80 TYR HB3  . . 4.120 2.932 2.507 3.176     .  0 0 "[    .    1    .    2]" 1 
       781 1 80 TYR H    1 83 GLN H    . . 3.790 3.445 3.164 3.868 0.078  9 0 "[    .    1    .    2]" 1 
       782 1 80 TYR H    1 84 HIS HA   . . 4.110 3.535 3.217 3.838     .  0 0 "[    .    1    .    2]" 1 
       783 1 80 TYR H    1 85 VAL H    . . 4.800 4.019 3.131 4.271     .  0 0 "[    .    1    .    2]" 1 
       784 1 80 TYR H    1 85 VAL MG2  . . 3.550 3.564 3.409 3.634 0.084 13 0 "[    .    1    .    2]" 1 
       785 1 80 TYR HA   1 80 TYR QD   . . 3.540 2.802 2.395 3.038     .  0 0 "[    .    1    .    2]" 1 
       786 1 80 TYR HA   1 80 TYR QE   . . 5.500 4.499 4.211 4.723     .  0 0 "[    .    1    .    2]" 1 
       787 1 80 TYR HA   1 81 ASN H    . . 3.090 2.163 1.998 3.318 0.228  8 0 "[    .    1    .    2]" 1 
       788 1 80 TYR HA   1 83 GLN H    . . 5.200 5.071 4.750 5.309 0.109  8 0 "[    .    1    .    2]" 1 
       789 1 80 TYR HB2  1 85 VAL MG2  . . 3.990 2.412 2.129 2.793     .  0 0 "[    .    1    .    2]" 1 
       790 1 80 TYR HB3  1 85 VAL MG2  . . 3.990 2.960 2.371 3.628     .  0 0 "[    .    1    .    2]" 1 
       791 1 80 TYR QD   1 81 ASN H    . . 4.670 3.711 2.909 4.132     .  0 0 "[    .    1    .    2]" 1 
       792 1 80 TYR QD   1 81 ASN HB2  . . 4.770 3.539 2.650 4.611     .  0 0 "[    .    1    .    2]" 1 
       793 1 80 TYR QD   1 81 ASN QB   . . 3.940 3.153 2.539 3.911     .  0 0 "[    .    1    .    2]" 1 
       794 1 80 TYR QD   1 81 ASN HB3  . . 4.770 3.611 3.003 4.227     .  0 0 "[    .    1    .    2]" 1 
       795 1 80 TYR QD   1 85 VAL MG2  . . 4.440 3.759 3.150 4.314     .  0 0 "[    .    1    .    2]" 1 
       796 1 81 ASN H    1 81 ASN QD   . . 5.120 4.675 3.836 5.128 0.008 11 0 "[    .    1    .    2]" 1 
       797 1 81 ASN H    1 82 GLU HA   . . 5.270 5.186 4.545 5.339 0.069 10 0 "[    .    1    .    2]" 1 
       798 1 81 ASN H    1 83 GLN H    . . 5.450 4.461 2.376 5.046     .  0 0 "[    .    1    .    2]" 1 
       799 1 82 GLU H    1 82 GLU QG   . . 4.650 3.311 2.622 4.515     .  0 0 "[    .    1    .    2]" 1 
       800 1 82 GLU H    1 83 GLN H    . . 4.030 2.944 1.861 3.288     .  0 0 "[    .    1    .    2]" 1 
       801 1 82 GLU HA   1 82 GLU QG   . . 3.890 2.775 2.282 3.412     .  0 0 "[    .    1    .    2]" 1 
       802 1 82 GLU QB   1 83 GLN H    . . 4.290 3.475 2.892 4.084     .  0 0 "[    .    1    .    2]" 1 
       803 1 83 GLN H    1 83 GLN QB   . . 3.410 2.688 2.370 3.200     .  0 0 "[    .    1    .    2]" 1 
       804 1 83 GLN H    1 83 GLN HG2  . . 4.900 3.466 2.300 4.850     .  0 0 "[    .    1    .    2]" 1 
       805 1 83 GLN H    1 83 GLN QG   . . 4.180 2.877 2.281 4.136     .  0 0 "[    .    1    .    2]" 1 
       806 1 83 GLN H    1 83 GLN HG3  . . 4.900 3.420 2.775 4.580     .  0 0 "[    .    1    .    2]" 1 
       807 1 83 GLN HA   1 84 HIS H    . . 3.250 2.352 2.253 2.501     .  0 0 "[    .    1    .    2]" 1 
       808 1 83 GLN HB2  1 84 HIS H    . . 4.390 3.506 2.376 4.129     .  0 0 "[    .    1    .    2]" 1 
       809 1 83 GLN HB3  1 84 HIS H    . . 4.390 3.310 2.566 4.059     .  0 0 "[    .    1    .    2]" 1 
       810 1 83 GLN QG   1 84 HIS H    . . 4.790 3.736 2.089 4.584     .  0 0 "[    .    1    .    2]" 1 
       811 1 83 GLN HG2  1 84 HIS H    . . 5.500 4.326 2.197 5.168     .  0 0 "[    .    1    .    2]" 1 
       812 1 83 GLN HG3  1 84 HIS H    . . 5.500 4.353 2.548 5.265     .  0 0 "[    .    1    .    2]" 1 
       813 1 84 HIS H    1 84 HIS HB2  . . 3.660 2.536 2.438 2.688     .  0 0 "[    .    1    .    2]" 1 
       814 1 84 HIS H    1 84 HIS HD2  . . 4.190 2.998 2.572 4.145     .  0 0 "[    .    1    .    2]" 1 
       815 1 84 HIS HA   1 85 VAL H    . . 3.320 2.179 2.124 2.259     .  0 0 "[    .    1    .    2]" 1 
       816 1 84 HIS HB3  1 85 VAL H    . . 3.770 2.659 2.552 2.884     .  0 0 "[    .    1    .    2]" 1 
       817 1 84 HIS HB3  1 88 SER QB   . . 3.470 2.127 2.023 2.226     .  0 0 "[    .    1    .    2]" 1 
       818 1 85 VAL H    1 85 VAL MG1  . . 3.940 3.067 2.960 3.223     .  0 0 "[    .    1    .    2]" 1 
       819 1 85 VAL H    1 85 VAL MG2  . . 3.110 3.223 3.127 3.283 0.173  9 0 "[    .    1    .    2]" 1 
       820 1 85 VAL H    1 88 SER H    . . 4.940 4.398 4.099 4.711     .  0 0 "[    .    1    .    2]" 1 
       821 1 85 VAL H    1 88 SER QB   . . 4.890 2.774 2.404 3.064     .  0 0 "[    .    1    .    2]" 1 
       822 1 85 VAL HA   1 86 PRO HD2  . . 3.990 3.232 3.181 3.296     .  0 0 "[    .    1    .    2]" 1 
       823 1 85 VAL HA   1 86 PRO QD   . . 3.470 1.969 1.914 2.016     .  0 0 "[    .    1    .    2]" 1 
       824 1 85 VAL HA   1 86 PRO HD3  . . 3.990 1.986 1.929 2.036     .  0 0 "[    .    1    .    2]" 1 
       825 1 85 VAL HB   1 86 PRO HD2  . . 3.890 4.059 4.010 4.136 0.246 17 0 "[    .    1    .    2]" 1 
       826 1 85 VAL HB   1 86 PRO QD   . . 3.270 3.538 3.517 3.562 0.292 17 0 "[    .    1    .    2]" 1 
       827 1 85 VAL HB   1 86 PRO HD3  . . 3.890 3.896 3.846 3.941 0.051  4 0 "[    .    1    .    2]" 1 
       828 1 85 VAL MG1  1 86 PRO QD   . . 4.230 2.053 1.938 2.146     .  0 0 "[    .    1    .    2]" 1 
       829 1 85 VAL MG1  1 88 SER H    . . 4.200 2.698 2.074 3.133     .  0 0 "[    .    1    .    2]" 1 
       830 1 85 VAL MG1  1 88 SER HB2  . . 4.280 2.856 2.584 3.129     .  0 0 "[    .    1    .    2]" 1 
       831 1 85 VAL MG1  1 88 SER QB   . . 3.530 2.784 2.544 3.009     .  0 0 "[    .    1    .    2]" 1 
       832 1 85 VAL MG1  1 88 SER HB3  . . 4.280 3.881 3.796 3.935     .  0 0 "[    .    1    .    2]" 1 
       833 1 85 VAL MG1  1 90 PHE QD   . . 5.120 4.352 4.014 4.713     .  0 0 "[    .    1    .    2]" 1 
       834 1 85 VAL MG1  1 90 PHE QE   . . 4.370 2.679 2.119 3.356     .  0 0 "[    .    1    .    2]" 1 
       835 1 85 VAL MG1  1 90 PHE HZ   . . 5.280 3.335 2.482 4.874     .  0 0 "[    .    1    .    2]" 1 
       836 1 85 VAL MG2  1 86 PRO HD2  . . 4.160 2.250 2.134 2.463     .  0 0 "[    .    1    .    2]" 1 
       837 1 85 VAL MG2  1 86 PRO HD3  . . 4.160 2.120 2.072 2.170     .  0 0 "[    .    1    .    2]" 1 
       838 1 86 PRO HA   1 87 GLY H    . . 3.040 2.528 2.064 3.310 0.270 17 0 "[    .    1    .    2]" 1 
       839 1 86 PRO QB   1 87 GLY H    . . 4.090 3.475 2.861 3.748     .  0 0 "[    .    1    .    2]" 1 
       840 1 87 GLY H    1 88 SER H    . . 3.730 2.506 1.927 2.830     .  0 0 "[    .    1    .    2]" 1 
       841 1 88 SER H    1 88 SER HB2  . . 3.780 2.306 2.201 2.418     .  0 0 "[    .    1    .    2]" 1 
       842 1 88 SER H    1 88 SER QB   . . 3.230 2.279 2.179 2.385     .  0 0 "[    .    1    .    2]" 1 
       843 1 88 SER H    1 88 SER HB3  . . 3.780 3.569 3.496 3.640     .  0 0 "[    .    1    .    2]" 1 
       844 1 88 SER HA   1 89 PRO HA   . . 3.640 2.418 2.234 2.652     .  0 0 "[    .    1    .    2]" 1 
       845 1 88 SER HA   1 90 PHE H    . . 3.770 3.615 3.322 3.810 0.040 12 0 "[    .    1    .    2]" 1 
       846 1 88 SER HA   1 90 PHE QD   . . 4.300 3.320 2.704 3.953     .  0 0 "[    .    1    .    2]" 1 
       847 1 88 SER QB   1 89 PRO HA   . . 4.470 2.304 2.089 2.555     .  0 0 "[    .    1    .    2]" 1 
       848 1 88 SER QB   1 90 PHE QD   . . 4.730 4.294 3.697 4.592     .  0 0 "[    .    1    .    2]" 1 
       849 1 88 SER QB   1 90 PHE QE   . . 4.710 4.068 3.764 4.305     .  0 0 "[    .    1    .    2]" 1 
       850 1 89 PRO HA   1 90 PHE H    . . 3.320 2.359 2.288 2.454     .  0 0 "[    .    1    .    2]" 1 
       851 1 89 PRO HA   1 90 PHE QD   . . 4.980 3.689 3.210 4.245     .  0 0 "[    .    1    .    2]" 1 
       852 1 89 PRO HG2  1 90 PHE H    . . 4.460 4.323 4.153 4.491 0.031  7 0 "[    .    1    .    2]" 1 
       853 1 90 PHE H    1 90 PHE HB2  . . 4.140 2.615 2.404 2.905     .  0 0 "[    .    1    .    2]" 1 
       854 1 90 PHE H    1 90 PHE QB   . . 3.600 2.567 2.372 2.828     .  0 0 "[    .    1    .    2]" 1 
       855 1 90 PHE H    1 90 PHE HB3  . . 4.140 3.750 3.629 3.887     .  0 0 "[    .    1    .    2]" 1 
       856 1 90 PHE H    1 90 PHE QD   . . 3.670 2.952 2.416 3.381     .  0 0 "[    .    1    .    2]" 1 
       857 1 90 PHE HA   1 90 PHE QB   . . 2.530 2.359 2.263 2.422     .  0 0 "[    .    1    .    2]" 1 
       858 1 90 PHE HA   1 90 PHE QD   . . 4.120 2.833 2.483 3.144     .  0 0 "[    .    1    .    2]" 1 
       859 1 90 PHE HA   1 91 THR H    . . 3.250 2.450 2.092 3.328 0.078 16 0 "[    .    1    .    2]" 1 
       860 1 90 PHE QB   1 91 THR H    . . 3.800 2.805 2.279 3.696     .  0 0 "[    .    1    .    2]" 1 
       861 1 90 PHE QB   1 92 ALA MB   . . 5.290 4.158 3.667 4.572     .  0 0 "[    .    1    .    2]" 1 
       862 1 90 PHE HB2  1 91 THR H    . . 4.500 3.787 3.348 4.470     .  0 0 "[    .    1    .    2]" 1 
       863 1 90 PHE HB3  1 91 THR H    . . 4.500 2.965 2.313 4.053     .  0 0 "[    .    1    .    2]" 1 
       864 1 91 THR H    1 91 THR HB   . . 3.430 2.873 2.582 3.382     .  0 0 "[    .    1    .    2]" 1 
       865 1 91 THR H    1 91 THR MG   . . 4.430 3.945 3.769 4.060     .  0 0 "[    .    1    .    2]" 1 
       866 1 91 THR H    1 92 ALA MB   . . 5.090 4.875 4.384 5.206 0.116  3 0 "[    .    1    .    2]" 1 
       867 1 91 THR HA   1 91 THR MG   . . 3.730 2.350 2.284 2.461     .  0 0 "[    .    1    .    2]" 1 
       868 1 91 THR HA   1 92 ALA H    . . 3.100 2.169 2.103 2.223     .  0 0 "[    .    1    .    2]" 1 
       869 1 91 THR HB   1 92 ALA H    . . 4.890 4.418 4.183 4.522     .  0 0 "[    .    1    .    2]" 1 
       870 1 91 THR MG   1 92 ALA H    . . 3.620 3.293 2.715 3.633 0.013 17 0 "[    .    1    .    2]" 1 
       871 1 92 ALA H    1 92 ALA MB   . . 3.620 2.247 2.147 2.468     .  0 0 "[    .    1    .    2]" 1 
       872 1 92 ALA H    1 94 VAL QG   . . 5.440 5.007 4.636 5.405     .  0 0 "[    .    1    .    2]" 1 
       873 1 92 ALA HA   1 93 ARG H    . . 3.090 2.250 2.090 2.441     .  0 0 "[    .    1    .    2]" 1 
       874 1 92 ALA MB   1 93 ARG H    . . 3.950 3.091 2.454 3.610     .  0 0 "[    .    1    .    2]" 1 
       875 1 92 ALA MB   1 94 VAL QG   . . 4.080 3.069 2.673 3.433     .  0 0 "[    .    1    .    2]" 1 
       876 1 93 ARG H    1 93 ARG HB2  . . 3.850 2.837 2.477 3.659     .  0 0 "[    .    1    .    2]" 1 
       877 1 93 ARG H    1 93 ARG QB   . . 3.370 2.476 2.224 2.676     .  0 0 "[    .    1    .    2]" 1 
       878 1 93 ARG H    1 93 ARG HB3  . . 3.850 2.794 2.518 3.777     .  0 0 "[    .    1    .    2]" 1 
       879 1 93 ARG H    1 93 ARG QD   . . 5.500 4.694 3.318 5.129     .  0 0 "[    .    1    .    2]" 1 
       880 1 93 ARG H    1 94 VAL H    . . 4.620 3.821 2.982 4.113     .  0 0 "[    .    1    .    2]" 1 
       881 1 93 ARG HA   1 93 ARG QD   . . 4.950 3.986 3.667 4.178     .  0 0 "[    .    1    .    2]" 1 
       882 1 93 ARG HA   1 94 VAL H    . . 3.220 2.176 1.998 2.862     .  0 0 "[    .    1    .    2]" 1 
       883 1 93 ARG QB   1 93 ARG QD   . . 3.490 2.232 2.069 2.434     .  0 0 "[    .    1    .    2]" 1 
       884 1 93 ARG QB   1 94 VAL H    . . 4.440 3.960 3.706 4.048     .  0 0 "[    .    1    .    2]" 1 
       885 1 93 ARG HB2  1 94 VAL H    . . 5.200 4.500 4.359 4.624     .  0 0 "[    .    1    .    2]" 1 
       886 1 93 ARG HB3  1 94 VAL H    . . 5.200 4.398 3.967 4.489     .  0 0 "[    .    1    .    2]" 1 
       887 1 93 ARG QD   1 94 VAL H    . . 5.260 5.342 5.143 5.428 0.168  7 0 "[    .    1    .    2]" 1 
       888 1 93 ARG QG   1 94 VAL H    . . 4.710 3.527 3.313 3.909     .  0 0 "[    .    1    .    2]" 1 
       889 1 93 ARG QG   1 94 VAL QG   . . 4.950 4.470 4.295 4.698     .  0 0 "[    .    1    .    2]" 1 
       890 1 94 VAL H    1 94 VAL HB   . . 3.800 2.724 2.476 2.961     .  0 0 "[    .    1    .    2]" 1 
       891 1 94 VAL H    1 94 VAL QG   . . 3.590 1.905 1.819 2.072     .  0 0 "[    .    1    .    2]" 1 
       892 1 94 VAL HA   1 95 THR H    . . 3.070 2.155 2.088 2.210     .  0 0 "[    .    1    .    2]" 1 
       893 1 94 VAL QG   1 95 THR H    . . 3.730 2.961 2.368 3.285     .  0 0 "[    .    1    .    2]" 1 
       894 1 95 THR H    1 95 THR MG   . . 3.820 2.827 2.187 3.853 0.033 18 0 "[    .    1    .    2]" 1 
       895 1 95 THR HA   1 95 THR MG   . . 3.710 2.824 2.277 3.277     .  0 0 "[    .    1    .    2]" 1 
       896 1 95 THR HA   1 96 GLY H    . . 3.300 2.417 2.062 3.425 0.125  2 0 "[    .    1    .    2]" 1 
       897 1 95 THR HB   1 96 GLY H    . . 3.960 3.793 2.643 4.071 0.111 15 0 "[    .    1    .    2]" 1 
       898 1 95 THR MG   1 96 GLY H    . . 4.250 3.046 2.360 3.758     .  0 0 "[    .    1    .    2]" 1 
       899 1 96 GLY H    1 97 ASP H    . . 4.620 4.330 3.167 4.643 0.023 13 0 "[    .    1    .    2]" 1 
       900 1 97 ASP QB   1 98 ASP H    . . 3.810 2.960 2.203 3.769     .  0 0 "[    .    1    .    2]" 1 
       901 1 97 ASP HB2  1 98 ASP H    . . 4.470 3.950 2.651 4.217     .  0 0 "[    .    1    .    2]" 1 
       902 1 97 ASP HB3  1 98 ASP H    . . 4.470 3.169 2.219 4.248     .  0 0 "[    .    1    .    2]" 1 
    stop_

save_



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