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
561573 2lut 18540 cing 4-filtered-FRED Wattos check violation distance


data_2lut


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              823
    _Distance_constraint_stats_list.Viol_count                    8218
    _Distance_constraint_stats_list.Viol_total                    127496.648
    _Distance_constraint_stats_list.Viol_max                      3.805
    _Distance_constraint_stats_list.Viol_rms                      1.0147
    _Distance_constraint_stats_list.Viol_average_all_restraints   1.5492
    _Distance_constraint_stats_list.Viol_average_violations_only  1.5514
    _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   5 LYS   2.249 0.231  5  0 "[    .    1]" 
       1  15 GLY  24.689 2.259  3 10  [*-+*******]  
       1  16 ALA  68.511 2.270  5 10  [***-+*****]  
       1  17 ASP  53.220 2.270  5 10  [***-+*****]  
       1  18 CYS 138.636 3.782  4 10  [***+*-****]  
       1  19 ALA 150.852 3.708  2 10  [*+******-*]  
       1  20 GLU 247.978 3.505  3 10  [*-+*******]  
       1  21 TRP 621.142 3.782  4 10  [*-*+******]  
       1  22 LEU 300.035 3.637  8 10  [***-***+**]  
       1  23 TYR 441.933 3.731  7 10  [*****-+***]  
       1  24 GLY 149.127 3.776  7 10  [****-*+***]  
       1  25 SER  93.219 3.669  8 10  [*******+-*]  
       1  26 CYS 152.101 3.651  6 10  [*****+**-*]  
       1  27 VAL 298.050 3.715  9 10  [*****-**+*]  
       1  28 ALA 406.944 3.721  7 10  [****-*+***]  
       1  29 ASN 137.804 3.710  7 10  [******+**-]  
       1  30 ASN 104.407 3.771  7 10  [******+*-*]  
       1  31 GLY  91.802 3.702  2 10  [*+******-*]  
       1  32 ASP 151.099 3.771  7 10  [*-****+***]  
       1  33 CYS 264.280 3.776  9 10  [*****-**+*]  
       1  34 GLY 128.501 3.264  7 10  [*****-+***]  
       1  35 GLN 200.480 3.296  9 10  [-*******+*]  
       1  36 GLY 295.513 3.760 10 10  [********-+]  
       1  37 MET 391.170 3.718 10 10  [*****-***+]  
       1  38 ARG 309.141 3.066 10 10  [******-**+]  
       1  39 GLU 297.158 3.651  6 10  [-****+****]  
       1  40 GLY 334.987 3.740 10 10  [*****-***+]  
       1  41 THR 390.833 3.805  7 10  [******+***]  
       1  42 CYS 239.427 3.170  6 10  [*-***+****]  
       1  43 ASN 134.886 3.637  8 10  [*****-*+**]  
       1  44 GLU 151.045 3.044  1 10  [+*-*******]  
       1  45 GLN 480.007 3.805  7 10  [**-***+***]  
       1  46 THR 311.860 3.740 10 10  [*****-***+]  
       1  47 ARG 474.329 3.734  4 10  [***+-*****]  
       1  48 LYS 287.166 3.574 10 10  [-********+]  
       1  49 VAL 320.224 3.556  4 10  [***+****-*]  
       1  50 LYS 408.617 3.760 10 10  [-********+]  
       1  51 CYS 246.399 3.493  6 10  [***-*+****]  
       1  52 ARG 239.261 3.296  9 10  [***-****+*]  
       1  53 VAL 433.382 3.776  9 10  [*****-**+*]  
       1  54 PRO  63.876 2.965  8 10  [*******+-*]  
       1  55 CYS   4.172 0.481  8  0 "[    .    1]" 
       1  56 ASN  28.502 2.210  1 10  [+**-******]  
       1  57 TRP 173.236 3.514 10 10  [*******-*+]  
       1  58 LYS  41.676 3.074  7 10  [******+-**]  
       1  59 LYS  63.534 3.190  1 10  [+**-******]  
       1  60 GLU  63.534 3.190  1 10  [+**-******]  
       1  61 PHE  22.285 2.143  2 10  [*+*****-**]  
       1  62 GLY  22.285 2.143  2 10  [*+*****-**]  
       1  63 ALA  42.684 3.793 10 10  [****-****+]  
       1  64 ASP  45.634 2.832 10 10  [****-****+]  
       1  65 CYS  97.942 3.793 10 10  [****-****+]  
       1  67 TYR 427.163 3.641  7 10  [***-**+***]  
       1  68 LYS 213.689 3.320  9 10  [***-****+*]  
       1  69 PHE 221.828 3.320  9 10  [********+*]  
       1  70 GLY 130.117 3.754  5 10  [****+*-***]  
       1  71 ASN  60.700 2.392  3 10  [**+***-***]  
       1  72 TRP 314.445 3.707 10 10  [**-******+]  
       1  73 GLY 191.521 3.787  9 10  [***-****+*]  
       1  74 GLU  75.231 2.673  3 10  [**+*******]  
       1  75 CYS  79.697 3.666 10 10  [-********+]  
       1  76 ASP 196.192 3.313  4 10  [***+***-**]  
       1  77 ALA 370.610 3.502  4 10  [***+***-**]  
       1  78 ALA 317.012 3.730  4 10  [***+*****-]  
       1  79 THR 427.683 3.784  1 10  [+*******-*]  
       1  80 SER 330.139 3.730  4 10  [***+****-*]  
       1  81 THR 511.720 3.712  8 10  [*******+-*]  
       1  82 LYS 542.764 3.491  8 10  [***-***+**]  
       1  83 SER 468.754 3.707 10 10  [***-*****+]  
       1  84 ARG 419.006 3.787  9 10  [*******-+*]  
       1  85 THR 412.475 3.754  5 10  [****+**-**]  
       1  86 GLY 301.373 3.780  8 10  [*******+**]  
       1  87 THR 523.075 3.732  2 10  [*+**-*****]  
       1  88 LEU 652.187 3.503 10 10  [***-*****+]  
       1  89 GLN 247.581 3.597  8 10  [**-****+**]  
       1  90 LYS 427.395 3.503 10 10  [-********+]  
       1  91 ALA 192.422 3.706  2 10  [*+-*******]  
       1  92 LEU 260.188 3.429  2 10  [-+********]  
       1  93 PHE 157.616 3.702  8 10  [-******+**]  
       1  94 ASN  48.248 2.744  3 10  [**+-******]  
       1  95 VAL 190.577 3.706  2 10  [*+****-***]  
       1  96 GLU 162.333 3.045  1 10  [+*****-***]  
       1  97 CYS 122.321 2.814  9 10  [********+-]  
       1  98 GLN 122.142 2.807 10 10  [*********+]  
       1  99 GLN 318.836 3.451  2 10  [*+*******-]  
       1 100 THR 411.632 3.791  2 10  [*+-*******]  
       1 101 VAL 629.520 3.791  2 10  [*+-*******]  
       1 102 SER 240.029 3.595  8 10  [*******+**]  
       1 103 VAL 500.807 3.642  7 10  [******+*-*]  
       1 104 THR 360.423 3.518  8 10  [***-***+**]  
       1 105 LYS 328.361 3.710  8 10  [*******+-*]  
       1 106 PRO 289.842 3.243  4 10  [***+****-*]  
       1 107 CYS 220.383 3.120  1 10  [+*-*******]  
       1 108 THR  80.933 3.784  1 10  [+****-****]  
       1 109 THR 113.167 3.491  8 10  [*-*****+**]  
       1 110 LYS 140.487 3.491  8 10  [***-***+**]  
       1 111 VAL 105.281 2.756 10 10  [***-*****+]  
       1 112 LYS  70.918 3.183  2 10  [*+****-***]  
       1 113 ASN  18.305 2.105  1 10  [+****-****]  
       1 114 LYS  43.126 2.357  6 10  [*****+****]  
       1 115 PRO  73.986 2.596  5 10  [****+*-***]  
       1 116 LYS  81.156 2.596  5 10  [****+-****]  
       1 117 GLY   9.313 0.920 10  4 "[    *-*  +]" 
       1 118 LYS  27.643 1.770  6 10  [-****+****]  
       1 119 LYS  23.168 1.770  6 10  [*****+-***]  
       1 120 GLY  22.622 1.740  7 10  [******+-**]  
       1 121 LYS  23.059 1.672  2 10  [-+********]  
    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   5 LYS QB  1   5 LYS QG  . . 1.800 2.025 2.006 2.031 0.231  5  0 "[    .    1]" 1 
         2 1  15 GLY QA  1  16 ALA H   . . 1.800 2.321 2.109 2.768 0.968  3  3 "[ -+ .*   1]" 1 
         3 1  15 GLY QA  1  16 ALA MB  . . 1.800 3.748 3.514 4.059 2.259  3 10  [**+-******]  1 
         4 1  16 ALA H   1  16 ALA MB  . . 1.800 2.596 2.087 2.931 1.131  2  7 "[*+-*.** *1]" 1 
         5 1  16 ALA HA  1  17 ASP H   . . 1.800 2.664 2.223 3.549 1.749  2  9  [*+*-*****1]  1 
         6 1  16 ALA MB  1  17 ASP H   . . 1.800 2.729 1.967 3.719 1.919  6  8 "[-  **+****]" 1 
         7 1  16 ALA MB  1  17 ASP QB  . . 1.800 3.592 2.905 4.070 2.270  5 10  [*-**+*****]  1 
         8 1  17 ASP HA  1  18 CYS H   . . 1.800 2.506 2.153 3.554 1.754  8  7 "[** *.- +**]" 1 
         9 1  17 ASP QB  1  18 CYS H   . . 1.800 2.830 1.946 3.920 2.120  7  6 "[  ***-+  *]" 1 
        10 1  18 CYS HA  1  19 ALA H   . . 1.800 2.799 2.140 3.495 1.695  5  5 "[*   +  **-]" 1 
        11 1  18 CYS HA  1  19 ALA MB  . . 1.800 3.906 3.760 4.025 2.225  4 10  [-**+******]  1 
        12 1  18 CYS HA  1  21 TRP HH2 . . 1.800 5.534 5.452 5.582 3.782  4 10  [***+**-***]  1 
        13 1  18 CYS QB  1  19 ALA H   . . 1.800 3.265 2.801 3.780 1.980  2 10  [*+**-*****]  1 
        14 1  18 CYS QB  1  21 TRP HD1 . . 1.800 4.221 3.810 4.875 3.075  7 10  [******+-**]  1 
        15 1  18 CYS QB  1  21 TRP HZ2 . . 1.800 3.203 2.666 3.690 1.890  7 10  [******+*-*]  1 
        16 1  19 ALA H   1  19 ALA MB  . . 1.800 2.509 2.034 2.906 1.106  1  5 "[+   *  **-]" 1 
        17 1  19 ALA H   1  20 GLU H   . . 1.800 3.020 2.582 4.363 2.563  9 10  [**-*****+*]  1 
        18 1  19 ALA HA  1  21 TRP HD1 . . 1.800 5.018 3.011 5.508 3.708  2 10  [*+******-*]  1 
        19 1  19 ALA MB  1  20 GLU H   . . 1.800 2.944 2.045 3.492 1.692 10  8 "[*** * **-+]" 1 
        20 1  19 ALA MB  1  20 GLU QB  . . 1.800 3.399 3.163 3.645 1.845  2 10  [*+***-****]  1 
        21 1  19 ALA MB  1  20 GLU QG  . . 1.800 4.426 3.238 5.053 3.253  5 10  [*-**+*****]  1 
        22 1  20 GLU H   1  20 GLU QG  . . 1.800 3.591 1.998 4.546 2.746  1  8 "[+  ******-]" 1 
        23 1  20 GLU H   1  21 TRP H   . . 1.800 3.310 2.525 4.111 2.311  4 10  [***+*****-]  1 
        24 1  20 GLU HA  1  20 GLU QG  . . 1.800 2.787 2.140 3.428 1.628  9  6 "[*** .-  +*]" 1 
        25 1  20 GLU HA  1  21 TRP H   . . 1.800 2.392 2.206 2.670 0.870  9  6 "[*-  *  *+*]" 1 
        26 1  20 GLU HA  1  21 TRP HD1 . . 1.800 4.792 4.163 5.305 3.505  3 10  [**+*****-*]  1 
        27 1  20 GLU QB  1  20 GLU QG  . . 1.800 2.024 1.955 2.037 0.237 10  0 "[    .    1]" 1 
        28 1  20 GLU QB  1  21 TRP H   . . 1.800 3.968 3.807 4.052 2.252  1 10  [+*-*******]  1 
        29 1  20 GLU QB  1  22 LEU QD  . . 1.800 3.354 2.704 4.103 2.303  1 10  [+*-*******]  1 
        30 1  20 GLU QG  1  21 TRP H   . . 1.800 3.980 3.381 4.415 2.615  2 10  [*+*-******]  1 
        31 1  20 GLU QG  1  21 TRP HA  . . 1.800 4.648 3.958 5.092 3.292  5 10  [****+***-*]  1 
        32 1  20 GLU QG  1  22 LEU QD  . . 1.800 3.164 2.317 3.927 2.127  4 10  [***+***-**]  1 
        33 1  21 TRP H   1  21 TRP HD1 . . 1.800 2.824 1.933 3.359 1.559  3  9 "[-*+***** *]" 1 
        34 1  21 TRP HA  1  21 TRP HD1 . . 1.800 4.276 3.815 4.445 2.645  7 10  [******+*-*]  1 
        35 1  21 TRP HA  1  22 LEU H   . . 1.800 2.154 2.140 2.178 0.378  9  0 "[    .    1]" 1 
        36 1  21 TRP HA  1  22 LEU QB  . . 1.800 4.485 4.133 4.733 2.933 10 10  [**-******+]  1 
        37 1  21 TRP HA  1  22 LEU QD  . . 1.800 3.091 2.537 3.504 1.704  6 10  [*****+-***]  1 
        38 1  21 TRP QB  1  22 LEU H   . . 1.800 3.214 3.040 3.354 1.554  6 10  [*****+**-*]  1 
        39 1  21 TRP QB  1  23 TYR QE  . . 1.800 2.366 1.957 2.724 0.924 10  6 "[  **.- **+]" 1 
        40 1  21 TRP HE3 1  41 THR H   . . 1.800 4.813 4.184 5.268 3.468  9 10  [********+-]  1 
        41 1  21 TRP HE3 1  42 CYS H   . . 1.800 3.701 3.202 4.339 2.539  6 10  [*****+***-]  1 
        42 1  21 TRP HE3 1  47 ARG H   . . 1.800 4.784 3.960 5.534 3.734  4 10  [***+*****-]  1 
        43 1  21 TRP HH2 1  45 GLN HA  . . 1.800 5.001 4.630 5.546 3.746  8 10  [*-*****+**]  1 
        44 1  21 TRP HH2 1  45 GLN QB  . . 1.800 2.459 2.094 2.914 1.114 10  7 "[  *-.****+]" 1 
        45 1  21 TRP HH2 1  45 GLN QG  . . 1.800 4.293 3.972 4.799 2.999 10 10  [-********+]  1 
        46 1  21 TRP HH2 1  47 ARG QB  . . 1.800 3.685 2.931 3.879 2.079  8 10  [*******+*-]  1 
        47 1  21 TRP HH2 1  47 ARG QG  . . 1.800 4.943 3.266 5.306 3.506  7 10  [******+-**]  1 
        48 1  21 TRP HZ2 1  45 GLN QB  . . 1.800 4.499 4.145 4.947 3.147  8 10  [-******+**]  1 
        49 1  21 TRP HZ2 1  47 ARG QD  . . 1.800 4.129 3.290 5.284 3.484 10 10  [******-**+]  1 
        50 1  21 TRP HZ3 1  42 CYS H   . . 1.800 2.975 2.487 3.587 1.787  6 10  [*-***+****]  1 
        51 1  21 TRP HZ3 1  47 ARG H   . . 1.800 4.323 3.493 4.641 2.841  3 10  [**+******-]  1 
        52 1  21 TRP HZ3 1  47 ARG QB  . . 1.800 3.033 2.722 3.329 1.529  7 10  [******+*-*]  1 
        53 1  22 LEU H   1  22 LEU QB  . . 1.800 2.764 2.283 3.001 1.201  1  9 "[+* ****-**]" 1 
        54 1  22 LEU H   1  22 LEU QD  . . 1.800 2.340 1.992 2.689 0.889  3  6 "[  +-** * *]" 1 
        55 1  22 LEU H   1  22 LEU HG  . . 1.800 2.898 1.941 4.425 2.625  3  4 "[  + . -**1]" 1 
        56 1  22 LEU H   1  23 TYR H   . . 1.800 4.256 4.205 4.381 2.581  6 10  [**-**+****]  1 
        57 1  22 LEU H   1  41 THR H   . . 1.800 4.593 3.563 5.290 3.490  1 10  [+********-]  1 
        58 1  22 LEU H   1  42 CYS HA  . . 1.800 3.716 2.934 4.598 2.798  6 10  [*****+***-]  1 
        59 1  22 LEU HA  1  22 LEU QD  . . 1.800 2.759 1.982 3.452 1.652  6  6 "[** **+   -]" 1 
        60 1  22 LEU HA  1  23 TYR H   . . 1.800 2.151 2.143 2.158 0.358  3  0 "[    .    1]" 1 
        61 1  22 LEU QB  1  22 LEU QD  . . 1.800 1.911 1.798 2.043 0.243  3  0 "[    .    1]" 1 
        62 1  22 LEU QB  1  23 TYR H   . . 1.800 3.452 3.239 3.595 1.795  3 10  [**+**-****]  1 
        63 1  22 LEU QB  1  41 THR MG  . . 1.800 4.593 2.721 5.300 3.500  7 10  [******+**-]  1 
        64 1  22 LEU MD1 1  22 LEU MD2 . . 1.800 2.062 2.012 2.088 0.288  5  0 "[    .    1]" 1 
        65 1  22 LEU QD  1  22 LEU HG  . . 1.800 1.886 1.875 1.895 0.095  5  0 "[    .    1]" 1 
        66 1  22 LEU QD  1  23 TYR H   . . 1.800 4.036 3.154 4.522 2.722  4 10  [**-+******]  1 
        67 1  22 LEU QD  1  43 ASN HA  . . 1.800 4.924 3.847 5.437 3.637  8 10  [*******+*-]  1 
        68 1  23 TYR H   1  23 TYR QD  . . 1.800 2.298 2.110 2.470 0.670  5  6 "[**  +-* *1]" 1 
        69 1  23 TYR HA  1  23 TYR QD  . . 1.800 3.379 3.156 3.660 1.860  2 10  [*+-*******]  1 
        70 1  23 TYR HA  1  24 GLY H   . . 1.800 2.382 2.164 2.438 0.638  3  8 "[**+ - ****]" 1 
        71 1  23 TYR HA  1  40 GLY H   . . 1.800 5.076 4.359 5.531 3.731  7 10  [******+-**]  1 
        72 1  23 TYR HA  1  40 GLY QA  . . 1.800 2.419 1.854 2.944 1.144  2  6 "[*+ **-*  1]" 1 
        73 1  23 TYR HA  1  41 THR H   . . 1.800 3.167 2.730 3.793 1.993  2 10  [*+******-*]  1 
        74 1  23 TYR QB  1  24 GLY H   . . 1.800 2.581 2.436 3.133 1.333  4 10  [*-*+******]  1 
        75 1  23 TYR QB  1  38 ARG QB  . . 1.800 4.084 3.824 4.426 2.626  1 10  [+*-*******]  1 
        76 1  23 TYR QB  1  41 THR H   . . 1.800 4.226 3.873 4.605 2.805  8 10  [****-**+**]  1 
        77 1  23 TYR QD  1  24 GLY H   . . 1.800 4.406 4.200 4.755 2.955  6 10  [*-***+****]  1 
        78 1  23 TYR QD  1  38 ARG QG  . . 1.800 3.647 3.057 4.866 3.066 10 10  [**-******+]  1 
        79 1  23 TYR QD  1  40 GLY H   . . 1.800 3.232 2.712 3.592 1.792  7 10  [******+*-*]  1 
        80 1  23 TYR QD  1  40 GLY QA  . . 1.800 1.977 1.892 2.078 0.278  2  0 "[    .    1]" 1 
        81 1  23 TYR QD  1  41 THR H   . . 1.800 4.499 4.199 4.766 2.966  2 10  [*+*-******]  1 
        82 1  23 TYR QD  1  49 VAL QG  . . 1.800 2.733 2.129 3.131 1.331  7  8 "[*****-+ *1]" 1 
        83 1  23 TYR QE  1  40 GLY H   . . 1.800 4.727 4.048 5.466 3.666  7 10  [**-***+***]  1 
        84 1  23 TYR QE  1  40 GLY QA  . . 1.800 3.638 2.681 4.265 2.465  2 10  [*+-*******]  1 
        85 1  23 TYR QE  1  47 ARG QB  . . 1.800 3.274 2.475 4.860 3.060 10 10  [********-+]  1 
        86 1  23 TYR QE  1  47 ARG QD  . . 1.800 4.617 3.050 4.950 3.150  7 10  [******+**-]  1 
        87 1  23 TYR QE  1  47 ARG QG  . . 1.800 2.882 2.721 3.671 1.871  8 10  [*-*****+**]  1 
        88 1  23 TYR QE  1  49 VAL HB  . . 1.800 4.814 4.218 5.356 3.556  4 10  [***+*****-]  1 
        89 1  23 TYR QE  1  49 VAL QG  . . 1.800 2.473 1.938 2.900 1.100  4  7 "[***+*-*  1]" 1 
        90 1  24 GLY H   1  25 SER H   . . 1.800 3.112 1.881 4.258 2.458  4  6 "[  *+.* **-]" 1 
        91 1  24 GLY H   1  40 GLY QA  . . 1.800 3.644 2.650 4.000 2.200  2 10  [*+******-*]  1 
        92 1  24 GLY H   1  41 THR H   . . 1.800 4.802 3.900 5.576 3.776  7 10  [***-**+***]  1 
        93 1  24 GLY QA  1  25 SER H   . . 1.800 2.373 2.114 2.743 0.943  7  4 "[-*  * +  1]" 1 
        94 1  24 GLY QA  1  25 SER QB  . . 1.800 4.111 3.768 4.251 2.451  9 10  [********+-]  1 
        95 1  24 GLY QA  1  38 ARG QD  . . 1.800 3.701 3.021 4.399 2.599 10 10  [*-*******+]  1 
        96 1  25 SER HA  1  26 CYS H   . . 1.800 2.314 2.148 2.448 0.648 10  6 "[  -*.* **+]" 1 
        97 1  25 SER HA  1  27 VAL QG  . . 1.800 5.368 5.104 5.469 3.669  8 10  [******-+**]  1 
        98 1  25 SER QB  1  26 CYS H   . . 1.800 2.843 2.313 3.429 1.629  5 10  [****+***-*]  1 
        99 1  26 CYS HA  1  27 VAL H   . . 1.800 2.176 2.148 2.197 0.397  2  0 "[    .    1]" 1 
       100 1  26 CYS HA  1  27 VAL QG  . . 1.800 3.453 3.320 3.594 1.794  2 10  [*+***-****]  1 
       101 1  26 CYS HA  1  38 ARG QB  . . 1.800 2.541 1.984 3.997 2.197 10  4 "[  -*.*   +]" 1 
       102 1  26 CYS HA  1  39 GLU H   . . 1.800 4.600 3.899 5.451 3.651  6 10  [*****+-***]  1 
       103 1  26 CYS QB  1  27 VAL H   . . 1.800 3.190 3.054 3.597 1.797  6 10  [**-**+****]  1 
       104 1  26 CYS QB  1  53 VAL QG  . . 1.800 1.953 1.789 2.737 0.937  7  1 "[    . +  1]" 1 
       105 1  26 CYS QB  1  57 TRP HE1 . . 1.800 5.194 4.730 5.314 3.514 10 10  [*****-***+]  1 
       106 1  26 CYS QB  1  57 TRP HZ2 . . 1.800 4.945 4.312 5.273 3.473  9 10  [********+-]  1 
       107 1  27 VAL H   1  27 VAL QG  . . 1.800 2.488 2.355 2.661 0.861  2 10  [*+***-****]  1 
       108 1  27 VAL H   1  37 MET H   . . 1.800 3.810 3.100 4.453 2.653  1 10  [+*-*******]  1 
       109 1  27 VAL H   1  38 ARG HA  . . 1.800 3.007 2.280 3.884 2.084  3  9 "[**+*** *-*]" 1 
       110 1  27 VAL H   1  38 ARG QB  . . 1.800 3.489 2.864 4.480 2.680 10 10  [-********+]  1 
       111 1  27 VAL H   1  53 VAL QG  . . 1.800 3.638 3.221 4.447 2.647  7 10  [***-**+***]  1 
       112 1  27 VAL HA  1  27 VAL QG  . . 1.800 2.085 2.044 2.118 0.318  9  0 "[    .    1]" 1 
       113 1  27 VAL HA  1  28 ALA H   . . 1.800 2.149 2.141 2.157 0.357 10  0 "[    .    1]" 1 
       114 1  27 VAL HA  1  28 ALA MB  . . 1.800 3.945 3.895 4.014 2.214  9 10  [-*******+*]  1 
       115 1  27 VAL HA  1  37 MET H   . . 1.800 5.211 4.826 5.515 3.715  9 10  [*****-**+*]  1 
       116 1  27 VAL HA  1  53 VAL QG  . . 1.800 3.378 2.648 4.178 2.378  9 10  [*****-**+*]  1 
       117 1  27 VAL HB  1  27 VAL QG  . . 1.800 1.877 1.862 1.895 0.095  6  0 "[    .    1]" 1 
       118 1  27 VAL HB  1  28 ALA H   . . 1.800 4.172 4.066 4.264 2.464  9 10  [***-****+*]  1 
       119 1  27 VAL HB  1  37 MET H   . . 1.800 3.769 3.400 4.634 2.834  7 10  [****-*+***]  1 
       120 1  27 VAL QG  1  28 ALA H   . . 1.800 2.671 2.300 2.924 1.124  9  9 "[-***** *+*]" 1 
       121 1  27 VAL QG  1  37 MET H   . . 1.800 4.130 3.742 4.669 2.869  7 10  [-*****+***]  1 
       122 1  28 ALA H   1  28 ALA MB  . . 1.800 2.158 2.029 2.246 0.446  2  0 "[    .    1]" 1 
       123 1  28 ALA H   1  29 ASN H   . . 1.800 4.577 4.425 4.633 2.833 10 10  [******-**+]  1 
       124 1  28 ALA H   1  53 VAL QG  . . 1.800 2.950 2.166 3.782 1.982  9  9 "[***** *-+*]" 1 
       125 1  28 ALA HA  1  29 ASN H   . . 1.800 2.224 2.142 2.294 0.494 10  0 "[    .    1]" 1 
       126 1  28 ALA HA  1  36 GLY H   . . 1.800 4.247 3.627 5.105 3.305  7 10  [*****-+***]  1 
       127 1  28 ALA HA  1  36 GLY QA  . . 1.800 2.459 1.976 2.885 1.085  2  6 "[*+  * **-1]" 1 
       128 1  28 ALA HA  1  37 MET H   . . 1.800 3.794 3.071 4.236 2.436  8 10  [******-+**]  1 
       129 1  28 ALA HA  1  53 VAL QG  . . 1.800 2.602 1.959 3.707 1.907  9  8 "[-** *** +*]" 1 
       130 1  28 ALA MB  1  29 ASN H   . . 1.800 2.909 2.720 3.281 1.481  7 10  [*-****+***]  1 
       131 1  28 ALA MB  1  30 ASN H   . . 1.800 3.153 2.736 3.673 1.873  9 10  [*******-+*]  1 
       132 1  28 ALA MB  1  31 GLY H   . . 1.800 3.409 2.264 5.086 3.286  5  9 "[-***+ ****]" 1 
       133 1  28 ALA MB  1  32 ASP H   . . 1.800 3.770 2.054 4.385 2.585 10  9 "[***** *-*+]" 1 
       134 1  28 ALA MB  1  32 ASP HA  . . 1.800 3.918 3.107 4.485 2.685  3 10  [**+***-***]  1 
       135 1  28 ALA MB  1  32 ASP QB  . . 1.800 4.605 3.692 4.881 3.081  5 10  [****+-****]  1 
       136 1  28 ALA MB  1  33 CYS H   . . 1.800 3.693 2.704 4.376 2.576  7 10  [*****-+***]  1 
       137 1  28 ALA MB  1  33 CYS HA  . . 1.800 2.583 1.990 3.791 1.991  7  6 "[-   **+ **]" 1 
       138 1  28 ALA MB  1  34 GLY H   . . 1.800 3.128 2.227 5.064 3.264  7  8 "[** -**+ **]" 1 
       139 1  28 ALA MB  1  36 GLY H   . . 1.800 5.107 4.646 5.501 3.701  7 10  [***-**+***]  1 
       140 1  28 ALA MB  1  36 GLY QA  . . 1.800 3.829 3.491 4.217 2.417  2 10  [*+***-****]  1 
       141 1  28 ALA MB  1  53 VAL H   . . 1.800 4.330 3.617 5.521 3.721  7 10  [*****-+***]  1 
       142 1  28 ALA MB  1  53 VAL HB  . . 1.800 2.708 1.937 3.703 1.903  7  8 "[*** -*+ **]" 1 
       143 1  28 ALA MB  1  53 VAL QG  . . 1.800 2.404 1.895 3.239 1.439  9  4 "[ -* .   +*]" 1 
       144 1  29 ASN H   1  30 ASN H   . . 1.800 2.779 2.409 3.198 1.398  9 10  [-*******+*]  1 
       145 1  29 ASN H   1  36 GLY H   . . 1.800 4.570 3.722 5.510 3.710  7 10  [******+-**]  1 
       146 1  29 ASN H   1  36 GLY QA  . . 1.800 2.442 2.016 3.216 1.416  5  4 "[ *  + * -1]" 1 
       147 1  29 ASN H   1  37 MET H   . . 1.800 4.270 3.547 4.942 3.142  2 10  [*+****-***]  1 
       148 1  29 ASN HA  1  30 ASN H   . . 1.800 3.305 2.653 3.570 1.770 10 10  [*-*******+]  1 
       149 1  29 ASN QB  1  30 ASN H   . . 1.800 2.903 2.119 3.951 2.151  2  8 "[*+*** ** -]" 1 
       150 1  30 ASN H   1  31 GLY H   . . 1.800 2.815 1.896 4.410 2.610  8  7 "[- **** +*1]" 1 
       151 1  30 ASN H   1  32 ASP H   . . 1.800 4.934 4.013 5.571 3.771  7 10  [****-*+***]  1 
       152 1  30 ASN HA  1  31 GLY H   . . 1.800 3.151 2.337 3.564 1.764  3 10  [**+*****-*]  1 
       153 1  31 GLY H   1  32 ASP H   . . 1.800 3.354 2.066 4.324 2.524  7  9 "[**-** +***]" 1 
       154 1  31 GLY H   1  33 CYS H   . . 1.800 4.821 3.691 5.502 3.702  2 10  [*+-*******]  1 
       155 1  31 GLY QA  1  32 ASP H   . . 1.800 2.431 2.123 2.860 1.060  8  7 "[*-**** + 1]" 1 
       156 1  32 ASP H   1  33 CYS H   . . 1.800 2.449 1.895 2.876 1.076  7  6 "[* **.-+* 1]" 1 
       157 1  32 ASP HA  1  33 CYS H   . . 1.800 3.555 3.534 3.571 1.771  1 10  [+*****-***]  1 
       158 1  32 ASP QB  1  33 CYS H   . . 1.800 2.294 1.902 2.660 0.860  9  5 "[ -  * * +*]" 1 
       159 1  33 CYS H   1  34 GLY H   . . 1.800 4.373 4.330 4.434 2.634  2 10  [-+********]  1 
       160 1  33 CYS H   1  53 VAL HB  . . 1.800 5.374 4.623 5.576 3.776  9 10  [******-*+*]  1 
       161 1  33 CYS H   1  53 VAL QG  . . 1.800 4.953 4.286 5.231 3.431 10 10  [******-**+]  1 
       162 1  33 CYS HA  1  34 GLY H   . . 1.800 2.295 2.276 2.371 0.571  7  2 "[    .-+  1]" 1 
       163 1  33 CYS HA  1  53 VAL H   . . 1.800 4.808 3.972 5.216 3.416  8 10  [*****-*+**]  1 
       164 1  33 CYS HA  1  53 VAL QG  . . 1.800 2.801 2.201 3.027 1.227  3  9 "[**+*** -**]" 1 
       165 1  33 CYS QB  1  34 GLY H   . . 1.800 2.687 2.530 2.766 0.966  3 10  [**+***-***]  1 
       166 1  33 CYS QB  1  53 VAL HB  . . 1.800 3.591 3.148 3.821 2.021 10 10  [**-******+]  1 
       167 1  33 CYS QB  1  53 VAL QG  . . 1.800 3.149 2.538 4.086 2.286  6 10  [**-**+****]  1 
       168 1  34 GLY H   1  35 GLN H   . . 1.800 4.429 4.313 4.553 2.753  7 10  [****-*+***]  1 
       169 1  34 GLY H   1  53 VAL H   . . 1.800 2.926 2.303 3.236 1.436  8 10  [*****-*+**]  1 
       170 1  34 GLY H   1  53 VAL HB  . . 1.800 2.143 1.928 2.542 0.742  6  3 "[    -+   *]" 1 
       171 1  34 GLY H   1  53 VAL QG  . . 1.800 3.089 2.979 3.376 1.576 10 10  [*******-*+]  1 
       172 1  34 GLY QA  1  35 GLN H   . . 1.800 2.267 2.230 2.283 0.483  6  0 "[    .    1]" 1 
       173 1  34 GLY QA  1  53 VAL H   . . 1.800 3.514 2.920 3.793 1.993  5 10  [****+-****]  1 
       174 1  35 GLN H   1  35 GLN QG  . . 1.800 3.258 2.271 3.988 2.188  1  9 "[+***** **-]" 1 
       175 1  35 GLN H   1  36 GLY H   . . 1.800 4.507 4.438 4.603 2.803  2 10  [*+******-*]  1 
       176 1  35 GLN H   1  52 ARG QG  . . 1.800 4.463 3.863 5.096 3.296  9 10  [********+-]  1 
       177 1  35 GLN HA  1  35 GLN QG  . . 1.800 2.559 2.059 3.397 1.597  5  5 "[-   +**  *]" 1 
       178 1  35 GLN HA  1  36 GLY H   . . 1.800 2.154 2.142 2.193 0.393  2  0 "[    .    1]" 1 
       179 1  35 GLN HA  1  52 ARG QB  . . 1.800 3.526 1.973 4.471 2.671  7  7 "[*  *.-+***]" 1 
       180 1  35 GLN HA  1  52 ARG QG  . . 1.800 3.716 2.730 4.834 3.034  6 10  [*****+***-]  1 
       181 1  35 GLN HA  1  53 VAL H   . . 1.800 3.381 2.967 3.806 2.006 10 10  [*-*******+]  1 
       182 1  35 GLN QB  1  35 GLN QG  . . 1.800 2.025 2.006 2.030 0.230  7  0 "[    .    1]" 1 
       183 1  35 GLN QB  1  36 GLY H   . . 1.800 3.528 3.087 3.854 2.054  1 10  [+***-*****]  1 
       184 1  35 GLN QG  1  36 GLY H   . . 1.800 3.636 2.937 4.372 2.572  5 10  [****+**-**]  1 
       185 1  36 GLY H   1  37 MET H   . . 1.800 3.933 3.533 4.176 2.376  1 10  [+****-****]  1 
       186 1  36 GLY H   1  50 LYS HA  . . 1.800 5.241 4.501 5.560 3.760 10 10  [********-+]  1 
       187 1  36 GLY H   1  51 CYS H   . . 1.800 3.788 3.285 4.155 2.355  4 10  [***+****-*]  1 
       188 1  36 GLY H   1  52 ARG HA  . . 1.800 2.880 1.981 3.987 2.187  9  7 "[*  -.***+*]" 1 
       189 1  36 GLY H   1  53 VAL H   . . 1.800 3.891 3.553 4.666 2.866  6 10  [*****+*-**]  1 
       190 1  36 GLY QA  1  37 MET H   . . 1.800 2.140 2.114 2.193 0.393  1  0 "[    .    1]" 1 
       191 1  37 MET H   1  37 MET QG  . . 1.800 3.562 2.422 4.333 2.533 10 10  [*-*******+]  1 
       192 1  37 MET H   1  38 ARG H   . . 1.800 4.418 4.353 4.513 2.713  1 10  [+****-****]  1 
       193 1  37 MET HA  1  37 MET QG  . . 1.800 2.728 2.094 3.339 1.539  4  6 "[ **+- *  *]" 1 
       194 1  37 MET HA  1  38 ARG H   . . 1.800 2.426 2.288 2.520 0.720  2  9 "[*+*** *-**]" 1 
       195 1  37 MET HA  1  50 LYS H   . . 1.800 5.123 4.650 5.518 3.718 10 10  [********-+]  1 
       196 1  37 MET HA  1  51 CYS H   . . 1.800 2.697 1.933 3.671 1.871  6  6 "[*   *+ -**]" 1 
       197 1  37 MET QB  1  37 MET QG  . . 1.800 2.055 2.004 2.087 0.287  3  0 "[    .    1]" 1 
       198 1  37 MET QB  1  38 ARG H   . . 1.800 2.786 2.158 3.295 1.495  8  8 "[* * **-+**]" 1 
       199 1  37 MET QG  1  38 ARG H   . . 1.800 2.633 1.892 3.573 1.773  2  5 "[ +**.-*  1]" 1 
       200 1  37 MET QG  1  39 GLU QG  . . 1.800 4.560 3.845 5.067 3.267  7 10  [******+-**]  1 
       201 1  37 MET QG  1  50 LYS QD  . . 1.800 4.245 3.090 5.054 3.254  2 10  [*+******-*]  1 
       202 1  37 MET QG  1  50 LYS QE  . . 1.800 3.714 2.114 4.692 2.892  2  8 "[-+*** ** *]" 1 
       203 1  37 MET QG  1  51 CYS H   . . 1.800 4.914 4.257 5.293 3.493  6 10  [*****+*-**]  1 
       204 1  38 ARG H   1  38 ARG QG  . . 1.800 3.906 3.672 4.092 2.292 10 10  [******-**+]  1 
       205 1  38 ARG H   1  49 VAL H   . . 1.800 2.965 2.489 3.312 1.512  6 10  [*****+**-*]  1 
       206 1  38 ARG H   1  49 VAL QG  . . 1.800 3.156 2.614 3.554 1.754  1 10  [+-********]  1 
       207 1  38 ARG H   1  50 LYS HA  . . 1.800 3.638 3.385 4.351 2.551  5 10  [***-+*****]  1 
       208 1  38 ARG H   1  51 CYS H   . . 1.800 4.085 3.704 4.748 2.948  9 10  [***-****+*]  1 
       209 1  38 ARG HA  1  38 ARG QG  . . 1.800 2.711 2.063 3.060 1.260  3  9  [-*+******1]  1 
       210 1  38 ARG HA  1  39 GLU H   . . 1.800 2.200 2.152 2.268 0.468  3  0 "[    .    1]" 1 
       211 1  38 ARG HA  1  39 GLU QB  . . 1.800 4.050 3.925 4.119 2.319  4 10  [***+*****-]  1 
       212 1  38 ARG QB  1  38 ARG QG  . . 1.800 2.058 2.012 2.097 0.297  7  0 "[    .    1]" 1 
       213 1  38 ARG QB  1  39 GLU H   . . 1.800 3.571 3.210 3.734 1.934  4 10  [***+*****-]  1 
       214 1  38 ARG QB  1  49 VAL QG  . . 1.800 2.085 1.866 2.349 0.549  7  1 "[    . +  1]" 1 
       215 1  38 ARG QD  1  38 ARG QG  . . 1.800 2.031 2.005 2.056 0.256  3  0 "[    .    1]" 1 
       216 1  38 ARG QG  1  39 GLU H   . . 1.800 2.569 2.176 3.039 1.239 10  8 "[- **.****+]" 1 
       217 1  38 ARG QG  1  49 VAL QG  . . 1.800 2.357 1.912 3.631 1.831 10  4 "[  **-    +]" 1 
       218 1  39 GLU H   1  39 GLU QG  . . 1.800 3.665 3.524 3.983 2.183 10 10  [***-*****+]  1 
       219 1  39 GLU H   1  40 GLY H   . . 1.800 4.324 4.243 4.525 2.725  7 10  [******+**-]  1 
       220 1  39 GLU HA  1  39 GLU QG  . . 1.800 2.064 2.001 2.103 0.303  4  0 "[    .    1]" 1 
       221 1  39 GLU HA  1  40 GLY H   . . 1.800 2.150 2.142 2.202 0.402  7  0 "[    .    1]" 1 
       222 1  39 GLU HA  1  47 ARG H   . . 1.800 4.148 3.893 4.703 2.903 10 10  [**-******+]  1 
       223 1  39 GLU HA  1  48 LYS QG  . . 1.800 3.925 2.925 4.912 3.112  5 10  [****+***-*]  1 
       224 1  39 GLU QB  1  39 GLU QG  . . 1.800 2.033 2.032 2.035 0.235  4  0 "[    .    1]" 1 
       225 1  39 GLU QB  1  40 GLY H   . . 1.800 3.483 3.087 3.606 1.806 10 10  [******-**+]  1 
       226 1  39 GLU QG  1  40 GLY H   . . 1.800 3.721 3.481 3.849 2.049  3 10  [**+******-]  1 
       227 1  39 GLU QG  1  46 THR HB  . . 1.800 4.159 3.802 4.587 2.787  3 10  [-*+*******]  1 
       228 1  39 GLU QG  1  46 THR MG  . . 1.800 3.932 3.482 4.528 2.728 10 10  [*******-*+]  1 
       229 1  39 GLU QG  1  48 LYS QG  . . 1.800 2.962 1.948 4.329 2.529  5  9 "[****+*-* *]" 1 
       230 1  40 GLY H   1  41 THR H   . . 1.800 4.483 4.273 4.552 2.752  2 10  [*+-*******]  1 
       231 1  40 GLY H   1  46 THR HA  . . 1.800 4.817 4.503 5.049 3.249  3 10  [**+***-***]  1 
       232 1  40 GLY H   1  46 THR HB  . . 1.800 5.123 4.358 5.540 3.740 10 10  [******-**+]  1 
       233 1  40 GLY H   1  47 ARG H   . . 1.800 2.933 2.615 3.133 1.333 10 10  [******-**+]  1 
       234 1  40 GLY H   1  47 ARG QB  . . 1.800 3.183 2.258 4.696 2.896 10  9 "[** -*****+]" 1 
       235 1  40 GLY H   1  48 LYS QG  . . 1.800 4.800 4.329 5.374 3.574 10 10  [********-+]  1 
       236 1  40 GLY QA  1  41 THR H   . . 1.800 2.170 2.109 2.255 0.455  9  0 "[    .    1]" 1 
       237 1  41 THR H   1  41 THR MG  . . 1.800 2.040 1.929 2.301 0.501  7  1 "[    . +  1]" 1 
       238 1  41 THR H   1  42 CYS H   . . 1.800 4.381 4.302 4.451 2.651  9 10  [***-****+*]  1 
       239 1  41 THR HA  1  42 CYS H   . . 1.800 2.174 2.144 2.231 0.431  9  0 "[    .    1]" 1 
       240 1  41 THR HA  1  45 GLN H   . . 1.800 4.332 4.057 4.512 2.712  8 10  [*****-*+**]  1 
       241 1  41 THR HA  1  46 THR HA  . . 1.800 2.377 2.208 2.654 0.854  6  5 "[** *-+   1]" 1 
       242 1  41 THR HB  1  42 CYS H   . . 1.800 3.913 3.038 4.216 2.416  6 10  [*****+-***]  1 
       243 1  41 THR HB  1  45 GLN H   . . 1.800 5.293 4.349 5.539 3.739  5 10  [****+*-***]  1 
       244 1  41 THR MG  1  42 CYS H   . . 1.800 4.078 3.898 4.273 2.473  3 10  [**+*****-*]  1 
       245 1  41 THR MG  1  45 GLN H   . . 1.800 5.551 5.508 5.605 3.805  7 10  [******+*-*]  1 
       246 1  42 CYS H   1  45 GLN H   . . 1.800 2.809 2.719 2.934 1.134  3 10  [**+***-***]  1 
       247 1  42 CYS H   1  45 GLN HA  . . 1.800 4.697 4.635 4.760 2.960  6 10  [*****+-***]  1 
       248 1  42 CYS H   1  45 GLN QB  . . 1.800 3.335 2.930 3.763 1.963  9 10  [**-*****+*]  1 
       249 1  42 CYS H   1  45 GLN QG  . . 1.800 4.601 4.190 4.884 3.084  9 10  [***-****+*]  1 
       250 1  42 CYS H   1  46 THR H   . . 1.800 4.818 4.634 4.970 3.170  6 10  [**-**+****]  1 
       251 1  42 CYS HA  1  43 ASN H   . . 1.800 2.146 2.142 2.148 0.348  8  0 "[    .    1]" 1 
       252 1  43 ASN HA  1  44 GLU H   . . 1.800 3.537 3.522 3.555 1.755  9 10  [**-*****+*]  1 
       253 1  43 ASN HA  1  45 GLN H   . . 1.800 4.928 4.791 5.024 3.224  6 10  [**-**+****]  1 
       254 1  43 ASN QB  1  44 GLU H   . . 1.800 1.932 1.851 2.025 0.225  9  0 "[    .    1]" 1 
       255 1  43 ASN QB  1  44 GLU QB  . . 1.800 3.459 3.009 3.731 1.931  5 10  [**-*+*****]  1 
       256 1  43 ASN QB  1  44 GLU QG  . . 1.800 3.299 2.394 4.844 3.044  1 10  [+****-****]  1 
       257 1  43 ASN QB  1  45 GLN H   . . 1.800 3.663 3.514 3.934 2.134  6 10  [*****+*-**]  1 
       258 1  44 GLU H   1  44 GLU QG  . . 1.800 3.054 2.250 4.230 2.430  9  8 "[****.*- +*]" 1 
       259 1  44 GLU H   1  45 GLN H   . . 1.800 2.208 1.920 2.484 0.684  6  2 "[   -.+   1]" 1 
       260 1  44 GLU HA  1  44 GLU QG  . . 1.800 2.804 2.240 3.456 1.656  4  8 "[ *-+**** *]" 1 
       261 1  44 GLU HA  1  45 GLN H   . . 1.800 2.914 2.776 3.001 1.201  9 10  [*****-**+*]  1 
       262 1  44 GLU QB  1  45 GLN H   . . 1.800 3.879 3.714 4.032 2.232  7 10  [******+*-*]  1 
       263 1  44 GLU QG  1  45 GLN H   . . 1.800 4.149 3.564 4.516 2.716  1 10  [+*****-***]  1 
       264 1  44 GLU QG  1  45 GLN QG  . . 1.800 3.669 2.364 4.673 2.873  3 10  [**+***-***]  1 
       265 1  45 GLN H   1  45 GLN QG  . . 1.800 2.696 2.608 2.731 0.931  1 10  [+*-*******]  1 
       266 1  45 GLN H   1  46 THR H   . . 1.800 4.448 4.442 4.479 2.679  3 10  [**+**-****]  1 
       267 1  45 GLN HA  1  45 GLN QG  . . 1.800 2.577 2.558 2.607 0.807  6 10  [**-**+****]  1 
       268 1  45 GLN HA  1  46 THR H   . . 1.800 2.424 2.420 2.437 0.637  3 10  [-*+*******]  1 
       269 1  45 GLN QB  1  45 GLN QG  . . 1.800 2.095 2.093 2.095 0.295  5  0 "[    .    1]" 1 
       270 1  45 GLN QB  1  46 THR H   . . 1.800 2.397 2.360 2.408 0.608  8 10  [**-****+**]  1 
       271 1  45 GLN QG  1  46 THR H   . . 1.800 4.085 4.032 4.114 2.314  4 10  [**-+******]  1 
       272 1  46 THR H   1  46 THR MG  . . 1.800 3.273 2.005 3.653 1.853  8  9  [******-+*1]  1 
       273 1  46 THR H   1  47 ARG H   . . 1.800 4.470 4.351 4.513 2.713  1 10  [+********-]  1 
       274 1  46 THR HA  1  46 THR MG  . . 1.800 2.232 2.099 3.146 1.346 10  1 "[    .    +]" 1 
       275 1  46 THR HA  1  47 ARG H   . . 1.800 2.328 2.191 2.387 0.587  7  9  [*****-+**1]  1 
       276 1  46 THR HB  1  47 ARG H   . . 1.800 2.768 2.472 3.811 2.011 10 10  [******-**+]  1 
       277 1  46 THR MG  1  47 ARG H   . . 1.800 3.200 2.666 4.188 2.388 10 10  [*******-*+]  1 
       278 1  46 THR MG  1  47 ARG QB  . . 1.800 4.934 4.663 5.172 3.372 10 10  [*******-*+]  1 
       279 1  47 ARG H   1  47 ARG QG  . . 1.800 4.100 2.454 4.296 2.496  2 10  [*+*******-]  1 
       280 1  47 ARG HA  1  47 ARG QG  . . 1.800 2.941 2.516 3.402 1.602 10 10  [*******-*+]  1 
       281 1  47 ARG HA  1  48 LYS H   . . 1.800 2.358 2.198 2.467 0.667 10  9 "[******- *+]" 1 
       282 1  47 ARG QB  1  47 ARG QD  . . 1.800 2.298 1.948 2.378 0.578  8  9  [****-**+*1]  1 
       283 1  47 ARG QB  1  47 ARG QG  . . 1.800 1.998 1.984 2.028 0.228 10  0 "[    .    1]" 1 
       284 1  47 ARG QB  1  48 LYS H   . . 1.800 3.234 2.421 3.412 1.612  8 10  [*******+*-]  1 
       285 1  47 ARG QB  1  49 VAL QG  . . 1.800 3.493 3.159 3.972 2.172 10 10  [*******-*+]  1 
       286 1  47 ARG QD  1  47 ARG QG  . . 1.800 2.066 2.051 2.098 0.298  9  0 "[    .    1]" 1 
       287 1  47 ARG QD  1  48 LYS QD  . . 1.800 4.917 4.364 5.070 3.270  2 10  [*+*****-**]  1 
       288 1  47 ARG QD  1  49 VAL QG  . . 1.800 3.584 1.817 4.266 2.466  9  9  [*******-+1]  1 
       289 1  47 ARG QG  1  48 LYS H   . . 1.800 2.376 2.041 3.633 1.833  8  2 "[    .  + -]" 1 
       290 1  47 ARG QG  1  49 VAL QG  . . 1.800 2.633 2.246 3.782 1.982  8  9 "[*** *-*+**]" 1 
       291 1  48 LYS H   1  48 LYS QD  . . 1.800 4.138 3.380 4.445 2.645 10 10  [*******-*+]  1 
       292 1  48 LYS H   1  48 LYS QG  . . 1.800 3.129 2.111 3.616 1.816  9  9  [****.**-+*]  1 
       293 1  48 LYS H   1  49 VAL H   . . 1.800 4.403 4.326 4.503 2.703 10 10  [***-*****+]  1 
       294 1  48 LYS HA  1  48 LYS QG  . . 1.800 2.450 2.238 3.207 1.407  5  9 "[-***+*** *]" 1 
       295 1  48 LYS HA  1  49 VAL H   . . 1.800 2.182 2.152 2.232 0.432  5  0 "[    .    1]" 1 
       296 1  48 LYS HA  1  49 VAL QG  . . 1.800 3.268 3.095 3.377 1.577  8 10  [*******+*-]  1 
       297 1  48 LYS QB  1  48 LYS QE  . . 1.800 3.404 2.692 3.624 1.824  3 10  [**+******-]  1 
       298 1  48 LYS QB  1  48 LYS QG  . . 1.800 2.081 2.021 2.097 0.297  5  0 "[    .    1]" 1 
       299 1  48 LYS QB  1  49 VAL H   . . 1.800 3.099 2.892 3.216 1.416  6 10  [****-+****]  1 
       300 1  48 LYS QB  1  49 VAL QG  . . 1.800 3.920 3.868 4.047 2.247  8 10  [*****-*+**]  1 
       301 1  48 LYS QD  1  48 LYS QG  . . 1.800 2.085 2.036 2.100 0.300  4  0 "[    .    1]" 1 
       302 1  48 LYS QE  1  48 LYS QG  . . 1.800 2.079 1.965 2.206 0.406  3  0 "[    .    1]" 1 
       303 1  48 LYS QG  1  49 VAL H   . . 1.800 3.907 3.436 4.442 2.642  5 10  [****+***-*]  1 
       304 1  49 VAL H   1  49 VAL QG  . . 1.800 2.247 2.109 2.399 0.599  4  3 "[- *+.    1]" 1 
       305 1  49 VAL H   1  50 LYS H   . . 1.800 4.325 4.299 4.398 2.598  8 10  [***-***+**]  1 
       306 1  49 VAL HA  1  49 VAL QG  . . 1.800 2.232 2.095 2.301 0.501  9  1 "[    .   +1]" 1 
       307 1  49 VAL HA  1  50 LYS H   . . 1.800 2.230 2.224 2.249 0.449  1  0 "[    .    1]" 1 
       308 1  49 VAL HB  1  49 VAL QG  . . 1.800 1.884 1.866 1.895 0.095  1  0 "[    .    1]" 1 
       309 1  49 VAL HB  1  50 LYS H   . . 1.800 2.886 2.796 3.057 1.257 10 10  [-********+]  1 
       310 1  49 VAL HB  1  50 LYS HA  . . 1.800 4.759 4.512 4.951 3.151  5 10  [****+****-]  1 
       311 1  49 VAL MG1 1  49 VAL MG2 . . 1.800 2.060 1.925 2.098 0.298 10  0 "[    .    1]" 1 
       312 1  49 VAL QG  1  50 LYS H   . . 1.800 3.327 2.992 3.389 1.589  2 10  [*+*******-]  1 
       313 1  50 LYS H   1  50 LYS QD  . . 1.800 4.088 3.135 4.511 2.711  6 10  [*****+***-]  1 
       314 1  50 LYS H   1  50 LYS QE  . . 1.800 4.571 2.977 5.090 3.290  4 10  [***+****-*]  1 
       315 1  50 LYS H   1  50 LYS QG  . . 1.800 2.502 1.980 2.805 1.005  6  7 "[-****+ * 1]" 1 
       316 1  50 LYS H   1  51 CYS H   . . 1.800 4.469 4.401 4.525 2.725  9 10  [*****-**+*]  1 
       317 1  50 LYS HA  1  50 LYS QG  . . 1.800 2.703 2.478 3.150 1.350 10 10  [***-*****+]  1 
       318 1  50 LYS HA  1  51 CYS H   . . 1.800 2.147 2.141 2.162 0.362  9  0 "[    .    1]" 1 
       319 1  50 LYS QB  1  50 LYS QG  . . 1.800 2.023 2.002 2.031 0.231  6  0 "[    .    1]" 1 
       320 1  50 LYS QB  1  51 CYS H   . . 1.800 3.251 3.123 3.388 1.588  2 10  [*+******-*]  1 
       321 1  50 LYS QD  1  51 CYS H   . . 1.800 3.772 3.580 3.997 2.197  6 10  [****-+****]  1 
       322 1  50 LYS QE  1  51 CYS H   . . 1.800 5.113 4.845 5.208 3.408  6 10  [*****+-***]  1 
       323 1  50 LYS QG  1  51 CYS H   . . 1.800 4.536 4.392 4.800 3.000 10 10  [**-******+]  1 
       324 1  51 CYS HA  1  52 ARG H   . . 1.800 2.456 2.256 2.499 0.699  7  9 "[** ***+**-]" 1 
       325 1  51 CYS QB  1  52 ARG H   . . 1.800 2.448 2.192 3.331 1.531 10  7 "[***-* *  +]" 1 
       326 1  51 CYS QB  1  52 ARG QD  . . 1.800 4.362 3.165 5.087 3.287  9 10  [*****-**+*]  1 
       327 1  52 ARG HA  1  52 ARG QD  . . 1.800 2.936 2.117 3.928 2.128  9  6 "[ ** **  +-]" 1 
       328 1  52 ARG HA  1  52 ARG QG  . . 1.800 2.875 2.429 3.439 1.639  5 10  [***-+*****]  1 
       329 1  52 ARG HA  1  53 VAL H   . . 1.800 2.196 2.141 2.240 0.440  7  0 "[    .    1]" 1 
       330 1  52 ARG HA  1  53 VAL QG  . . 1.800 3.394 3.168 3.539 1.739  9 10  [*****-**+*]  1 
       331 1  52 ARG QB  1  52 ARG QD  . . 1.800 2.289 2.120 2.391 0.591 10  5 "[-  *. ** +]" 1 
       332 1  52 ARG QB  1  52 ARG QG  . . 1.800 2.008 1.991 2.031 0.231  9  0 "[    .    1]" 1 
       333 1  52 ARG QB  1  53 VAL H   . . 1.800 3.242 2.944 3.803 2.003  9 10  [****-***+*]  1 
       334 1  52 ARG QD  1  52 ARG QG  . . 1.800 2.058 2.037 2.099 0.299  9  0 "[    .    1]" 1 
       335 1  52 ARG QD  1  53 VAL H   . . 1.800 4.103 3.557 4.490 2.690  6 10  [*****+*-**]  1 
       336 1  52 ARG QG  1  53 VAL H   . . 1.800 3.200 2.752 3.562 1.762 10 10  [******-**+]  1 
       337 1  52 ARG QG  1  54 PRO QG  . . 1.800 4.174 3.463 4.765 2.965  8 10  [****-**+**]  1 
       338 1  53 VAL H   1  53 VAL QG  . . 1.800 2.477 2.173 2.569 0.769  1  9 "[+**** ***-]" 1 
       339 1  53 VAL HA  1  53 VAL QG  . . 1.800 2.075 2.003 2.130 0.330  4  0 "[    .    1]" 1 
       340 1  53 VAL HA  1  54 PRO QD  . . 1.800 1.947 1.864 2.053 0.253 10  0 "[    .    1]" 1 
       341 1  53 VAL HA  1  54 PRO QG  . . 1.800 3.854 3.787 3.936 2.136 10 10  [********-+]  1 
       342 1  53 VAL HB  1  53 VAL QG  . . 1.800 1.869 1.862 1.885 0.085  6  0 "[    .    1]" 1 
       343 1  53 VAL MG1 1  53 VAL MG2 . . 1.800 1.972 1.905 2.089 0.289  6  0 "[    .    1]" 1 
       344 1  53 VAL QG  1  54 PRO QD  . . 1.800 3.025 2.722 3.209 1.409  7 10  [******+*-*]  1 
       345 1  54 PRO HA  1  55 CYS H   . . 1.800 2.217 2.162 2.281 0.481  8  0 "[    .    1]" 1 
       346 1  54 PRO QD  1  54 PRO QG  . . 1.800 1.970 1.970 1.971 0.171  7  0 "[    .    1]" 1 
       347 1  56 ASN HA  1  57 TRP H   . . 1.800 2.920 2.332 3.549 1.749  9 10  [***-****+*]  1 
       348 1  56 ASN QB  1  57 TRP H   . . 1.800 3.531 2.102 4.010 2.210  1  9 "[+***-*** *]" 1 
       349 1  57 TRP H   1  57 TRP HD1 . . 1.800 3.618 2.400 4.665 2.865  2 10  [*+*******-]  1 
       350 1  57 TRP HA  1  57 TRP HD1 . . 1.800 3.526 2.389 4.595 2.795  7 10  [******+-**]  1 
       351 1  57 TRP HA  1  57 TRP HE3 . . 1.800 4.234 2.439 4.887 3.087  8 10  [*****-*+**]  1 
       352 1  57 TRP HA  1  58 LYS H   . . 1.800 2.934 2.202 3.569 1.769  1  8 "[+***** -*1]" 1 
       353 1  57 TRP QB  1  58 LYS H   . . 1.800 2.622 1.989 3.854 2.054  8  8 "[ ***-**+ *]" 1 
       354 1  58 LYS H   1  58 LYS QD  . . 1.800 4.011 2.815 4.874 3.074  7 10  [****-*+***]  1 
       355 1  59 LYS HA  1  60 GLU H   . . 1.800 2.469 2.217 2.667 0.867  2  8 "[*+*-*** *1]" 1 
       356 1  59 LYS QB  1  60 GLU H   . . 1.800 2.653 1.935 3.324 1.524  8  8 "[  -****+**]" 1 
       357 1  59 LYS QD  1  60 GLU H   . . 1.800 3.313 2.042 4.515 2.715  4  8 "[** +.***-*]" 1 
       358 1  59 LYS QE  1  60 GLU H   . . 1.800 4.180 3.332 4.990 3.190  1 10  [+***-*****]  1 
       359 1  59 LYS QG  1  60 GLU H   . . 1.800 2.738 2.011 3.600 1.800  1  7 "[+**-*   **]" 1 
       360 1  61 PHE HA  1  62 GLY H   . . 1.800 2.587 2.142 3.569 1.769 10  6 "[*  *. *-*+]" 1 
       361 1  61 PHE QB  1  62 GLY H   . . 1.800 3.242 1.999 3.943 2.143  2  8 "[ +*-*****1]" 1 
       362 1  63 ALA HA  1  64 ASP H   . . 1.800 2.996 2.177 3.566 1.766  6  8 "[*** -+ ***]" 1 
       363 1  63 ALA MB  1  64 ASP H   . . 1.800 2.402 2.010 2.994 1.194  7  6 "[   ***+-*1]" 1 
       364 1  63 ALA MB  1  65 CYS H   . . 1.800 4.270 3.374 5.593 3.793 10 10  [*-*******+]  1 
       365 1  64 ASP H   1  65 CYS H   . . 1.800 3.026 2.211 4.632 2.832 10  8 "[*** - ***+]" 1 
       366 1  64 ASP HA  1  65 CYS H   . . 1.800 3.339 2.145 3.570 1.770  7  9 "[******+ *-]" 1 
       367 1  65 CYS HA  1  88 LEU QD  . . 1.800 4.716 4.133 5.214 3.414  8 10  [-******+**]  1 
       368 1  65 CYS QB  1  88 LEU QD  . . 1.800 3.442 2.646 4.033 2.233  6 10  [*****+-***]  1 
       369 1  67 TYR H   1  67 TYR QD  . . 1.800 3.157 2.906 3.535 1.735  9 10  [*******-+*]  1 
       370 1  67 TYR HA  1  68 LYS H   . . 1.800 2.429 2.269 2.487 0.687  2  8 "[*+**.*** -]" 1 
       371 1  67 TYR HA  1  87 THR H   . . 1.800 5.123 4.543 5.386 3.586  8 10  [*****-*+**]  1 
       372 1  67 TYR HA  1  89 GLN QG  . . 1.800 3.570 2.260 4.480 2.680  8  9 "[** ****+-*]" 1 
       373 1  67 TYR QB  1  68 LYS H   . . 1.800 2.383 2.223 2.778 0.978  9  5 "[   -*  *+*]" 1 
       374 1  67 TYR QB  1  87 THR H   . . 1.800 3.636 3.316 3.731 1.931  3 10  [**+**-****]  1 
       375 1  67 TYR QB  1 101 VAL QG  . . 1.800 3.364 3.108 3.647 1.847  5 10  [*-**+*****]  1 
       376 1  67 TYR QD  1  68 LYS H   . . 1.800 3.297 2.981 3.602 1.802  5 10  [***-+*****]  1 
       377 1  67 TYR QD  1  87 THR H   . . 1.800 3.502 3.322 3.608 1.808  8 10  [*****-*+**]  1 
       378 1  67 TYR QD  1  88 LEU H   . . 1.800 3.282 2.885 3.658 1.858  5 10  [***-+*****]  1 
       379 1  67 TYR QD  1  88 LEU HA  . . 1.800 2.941 2.546 3.174 1.374  6 10  [*****+*-**]  1 
       380 1  67 TYR QD  1  88 LEU QB  . . 1.800 3.684 3.155 3.954 2.154  2 10  [*+*****-**]  1 
       381 1  67 TYR QD  1  88 LEU QD  . . 1.800 3.408 3.148 4.025 2.225  2 10  [*+****-***]  1 
       382 1  67 TYR QD  1 101 VAL QG  . . 1.800 2.885 2.727 3.045 1.245  9 10  [******-*+*]  1 
       383 1  67 TYR QE  1  87 THR H   . . 1.800 5.420 5.368 5.441 3.641  7 10  [*****-+***]  1 
       384 1  67 TYR QE  1  87 THR MG  . . 1.800 4.849 4.653 5.357 3.557  2 10  [*+-*******]  1 
       385 1  67 TYR QE  1  88 LEU H   . . 1.800 3.017 2.597 3.564 1.764  5 10  [***-+*****]  1 
       386 1  67 TYR QE  1  88 LEU QB  . . 1.800 2.384 1.979 2.748 0.948  3  5 "[**+ *-   1]" 1 
       387 1  67 TYR QE  1  88 LEU QD  . . 1.800 2.802 2.598 3.113 1.313  3 10  [**+*-*****]  1 
       388 1  67 TYR QE  1  89 GLN H   . . 1.800 5.139 4.767 5.397 3.597  8 10  [****-**+**]  1 
       389 1  67 TYR QE  1  99 GLN HA  . . 1.800 4.672 4.249 5.068 3.268  3 10  [**+-******]  1 
       390 1  67 TYR QE  1 100 THR H   . . 1.800 4.310 3.720 4.643 2.843 10 10  [***-*****+]  1 
       391 1  67 TYR QE  1 100 THR HA  . . 1.800 2.720 1.996 3.946 2.146  8  7 "[* * -* +**]" 1 
       392 1  67 TYR QE  1 101 VAL H   . . 1.800 3.413 2.835 4.376 2.576  8 10  [******-+**]  1 
       393 1  67 TYR QE  1 101 VAL QG  . . 1.800 2.331 2.096 2.479 0.679  9  4 "[ * -.*  +1]" 1 
       394 1  68 LYS H   1  68 LYS QD  . . 1.800 4.324 3.651 4.855 3.055  7 10  [******+**-]  1 
       395 1  68 LYS H   1  68 LYS QG  . . 1.800 3.820 2.013 4.124 2.324 10  9 "[*- ******+]" 1 
       396 1  68 LYS H   1  89 GLN QG  . . 1.800 3.536 2.932 4.170 2.370  2 10  [-+********]  1 
       397 1  68 LYS HA  1  68 LYS QD  . . 1.800 3.345 2.224 4.310 2.510  3  9  [**+****-*1]  1 
       398 1  68 LYS HA  1  69 PHE H   . . 1.800 2.194 2.146 2.207 0.407  5  0 "[    .    1]" 1 
       399 1  68 LYS QB  1  68 LYS QE  . . 1.800 3.096 2.073 3.603 1.803  4  7 "[** +-* * *]" 1 
       400 1  68 LYS QB  1  69 PHE H   . . 1.800 3.884 3.611 3.997 2.197  5 10  [**-*+*****]  1 
       401 1  68 LYS QB  1  89 GLN QG  . . 1.800 2.607 1.926 3.653 1.853  9  6 "[ ** *-  +*]" 1 
       402 1  68 LYS QD  1  69 PHE H   . . 1.800 4.436 3.500 5.120 3.320  9 10  [*****-**+*]  1 
       403 1  68 LYS QG  1  69 PHE H   . . 1.800 3.600 3.303 4.442 2.642  3 10  [**+***-***]  1 
       404 1  68 LYS QG  1  89 GLN QG  . . 1.800 3.619 2.535 4.940 3.140  9 10  [-*******+*]  1 
       405 1  69 PHE H   1  69 PHE QD  . . 1.800 3.367 3.120 3.442 1.642  8 10  [*-*****+**]  1 
       406 1  69 PHE HA  1  70 GLY H   . . 1.800 2.196 2.167 2.283 0.483  7  0 "[    .    1]" 1 
       407 1  69 PHE HA  1  86 GLY QA  . . 1.800 2.885 2.644 3.109 1.309  8 10  [***-***+**]  1 
       408 1  69 PHE HA  1  87 THR H   . . 1.800 4.119 3.764 4.390 2.590  2 10  [*+****-***]  1 
       409 1  69 PHE QB  1  70 GLY H   . . 1.800 3.032 2.704 3.225 1.425  5 10  [***-+*****]  1 
       410 1  69 PHE QD  1  86 GLY H   . . 1.800 3.911 3.281 4.500 2.700  5 10  [*-**+*****]  1 
       411 1  69 PHE QD  1  87 THR H   . . 1.800 4.284 3.766 4.676 2.876  2 10  [*+**-*****]  1 
       412 1  69 PHE QE  1 101 VAL QG  . . 1.800 3.271 2.915 3.733 1.933  6 10  [*-***+****]  1 
       413 1  69 PHE QE  1 103 VAL QG  . . 1.800 2.107 1.851 2.417 0.617  5  2 "[   -+    1]" 1 
       414 1  69 PHE HZ  1 101 VAL QG  . . 1.800 3.827 3.119 4.556 2.756  6 10  [*-***+****]  1 
       415 1  69 PHE HZ  1 103 VAL QG  . . 1.800 2.065 1.745 2.328 0.528  4  2 "[   +.   -1]" 1 
       416 1  70 GLY H   1  71 ASN H   . . 1.800 3.222 2.685 3.974 2.174  9 10  [*******-+*]  1 
       417 1  70 GLY H   1  85 THR H   . . 1.800 5.243 4.678 5.554 3.754  5 10  [****+-****]  1 
       418 1  70 GLY H   1  86 GLY QA  . . 1.800 4.158 4.020 4.250 2.450  1 10  [+****-****]  1 
       419 1  70 GLY H   1  87 THR H   . . 1.800 5.394 5.188 5.532 3.732  2 10  [*+*****-**]  1 
       420 1  70 GLY QA  1  71 ASN H   . . 1.800 2.368 2.196 2.504 0.704  8  6 "[  **.*-+ *]" 1 
       421 1  71 ASN HA  1  72 TRP H   . . 1.800 2.361 2.139 2.920 1.120  2  3 "[ +  . * -1]" 1 
       422 1  71 ASN HA  1  72 TRP HD1 . . 1.800 3.672 2.991 4.192 2.392  3 10  [*-+*******]  1 
       423 1  71 ASN QB  1  72 TRP H   . . 1.800 3.447 2.518 3.861 2.061  7 10  [******+*-*]  1 
       424 1  72 TRP H   1  72 TRP HD1 . . 1.800 2.751 2.013 4.078 2.278  7  7 "[-** **+ *1]" 1 
       425 1  72 TRP HA  1  72 TRP HD1 . . 1.800 4.357 4.023 4.548 2.748  3 10  [**+******-]  1 
       426 1  72 TRP HA  1  72 TRP HE3 . . 1.800 3.029 2.694 3.509 1.709 10 10  [******-**+]  1 
       427 1  72 TRP HA  1  73 GLY H   . . 1.800 2.223 2.147 2.283 0.483  4  0 "[    .    1]" 1 
       428 1  72 TRP HA  1  84 ARG QB  . . 1.800 2.557 1.924 3.836 2.036  9  6 "[* - .* *+*]" 1 
       429 1  72 TRP HA  1  84 ARG QG  . . 1.800 3.173 1.933 3.956 2.156  5  7 "[ -**+*** 1]" 1 
       430 1  72 TRP QB  1  73 GLY H   . . 1.800 2.927 2.711 3.289 1.489  2 10  [*+*******-]  1 
       431 1  72 TRP QB  1  82 LYS QD  . . 1.800 1.960 1.890 2.074 0.274  3  0 "[    .    1]" 1 
       432 1  72 TRP HD1 1  82 LYS QD  . . 1.800 4.779 4.375 5.030 3.230  8 10  [****-**+**]  1 
       433 1  72 TRP HE3 1  82 LYS QB  . . 1.800 4.122 3.988 4.230 2.430  8 10  [****-**+**]  1 
       434 1  72 TRP HE3 1  82 LYS QD  . . 1.800 2.117 1.938 2.388 0.588  5  3 "[  * +-   1]" 1 
       435 1  72 TRP HE3 1  82 LYS QG  . . 1.800 3.760 3.413 4.306 2.506  3 10  [**+****-**]  1 
       436 1  72 TRP HE3 1  83 SER H   . . 1.800 5.351 5.009 5.507 3.707 10 10  [****-****+]  1 
       437 1  72 TRP HE3 1  83 SER HA  . . 1.800 4.970 4.716 5.271 3.471  9 10  [********+-]  1 
       438 1  72 TRP HE3 1  84 ARG H   . . 1.800 4.806 4.501 5.102 3.302  9 10  [****-***+*]  1 
       439 1  72 TRP HE3 1 103 VAL QG  . . 1.800 3.281 2.941 4.529 2.729  8 10  [*******+*-]  1 
       440 1  73 GLY H   1  74 GLU H   . . 1.800 4.404 4.305 4.473 2.673  3 10  [**+***-***]  1 
       441 1  73 GLY H   1  83 SER H   . . 1.800 4.261 3.687 5.013 3.213 10 10  [****-****+]  1 
       442 1  73 GLY H   1  84 ARG H   . . 1.800 5.258 4.936 5.587 3.787  9 10  [******-*+*]  1 
       443 1  73 GLY H   1  84 ARG HA  . . 1.800 3.641 3.278 4.054 2.254 10 10  [*-*******+]  1 
       444 1  73 GLY H   1  84 ARG QB  . . 1.800 3.016 2.567 4.040 2.240  9 10  [***-****+*]  1 
       445 1  73 GLY H   1  85 THR H   . . 1.800 5.415 5.164 5.537 3.737  9 10  [*-******+*]  1 
       446 1  73 GLY QA  1  74 GLU H   . . 1.800 2.238 2.224 2.258 0.458  1  0 "[    .    1]" 1 
       447 1  73 GLY QA  1  74 GLU QG  . . 1.800 3.769 3.628 3.893 2.093  4 10  [**-+******]  1 
       448 1  74 GLU H   1  74 GLU QG  . . 1.800 2.111 1.952 2.241 0.441  4  0 "[    .    1]" 1 
       449 1  74 GLU HA  1  74 GLU QG  . . 1.800 3.395 3.354 3.426 1.626  1 10  [+*-*******]  1 
       450 1  74 GLU HA  1  75 CYS H   . . 1.800 2.180 2.153 2.221 0.421  4  0 "[    .    1]" 1 
       451 1  74 GLU QB  1  74 GLU QG  . . 1.800 2.026 2.023 2.029 0.229  3  0 "[    .    1]" 1 
       452 1  75 CYS HA  1  76 ASP H   . . 1.800 2.150 2.144 2.184 0.384  1  0 "[    .    1]" 1 
       453 1  75 CYS HA  1  83 SER H   . . 1.800 4.679 4.231 5.466 3.666 10 10  [-********+]  1 
       454 1  75 CYS QB  1  76 ASP H   . . 1.800 3.207 3.012 3.283 1.483  8 10  [-******+**]  1 
       455 1  75 CYS QB  1  77 ALA MB  . . 1.800 4.754 4.503 5.302 3.502  4 10  [***+***-**]  1 
       456 1  76 ASP H   1  77 ALA H   . . 1.800 4.259 4.167 4.461 2.661  4 10  [***+*****-]  1 
       457 1  76 ASP H   1  81 THR H   . . 1.800 3.674 3.476 3.929 2.129  8 10  [-******+**]  1 
       458 1  76 ASP H   1  82 LYS HA  . . 1.800 3.675 3.248 4.751 2.951  4 10  [*-*+******]  1 
       459 1  76 ASP H   1  82 LYS QB  . . 1.800 4.104 3.248 5.113 3.313  4 10  [***+*****-]  1 
       460 1  76 ASP HA  1  77 ALA H   . . 1.800 2.161 2.145 2.179 0.379 10  0 "[    .    1]" 1 
       461 1  76 ASP HA  1  77 ALA MB  . . 1.800 3.992 3.933 4.033 2.233  8 10  [****-**+**]  1 
       462 1  76 ASP QB  1  77 ALA H   . . 1.800 3.707 3.512 3.837 2.037  3 10  [**+-******]  1 
       463 1  76 ASP QB  1  79 THR H   . . 1.800 2.643 2.419 2.760 0.960  7 10  [******+-**]  1 
       464 1  76 ASP QB  1  80 SER H   . . 1.800 3.794 3.547 3.998 2.198  7 10  [******+-**]  1 
       465 1  76 ASP QB  1  81 THR H   . . 1.800 3.855 3.577 4.714 2.914  4 10  [***+*****-]  1 
       466 1  77 ALA H   1  77 ALA MB  . . 1.800 2.160 2.037 2.233 0.433  4  0 "[    .    1]" 1 
       467 1  77 ALA H   1  78 ALA H   . . 1.800 2.657 2.606 2.712 0.912  4 10  [***+***-**]  1 
       468 1  77 ALA H   1  78 ALA MB  . . 1.800 4.259 4.187 4.378 2.578  4 10  [***+****-*]  1 
       469 1  77 ALA H   1  79 THR H   . . 1.800 4.336 4.284 4.388 2.588  3 10  [-*+*******]  1 
       470 1  77 ALA HA  1  78 ALA H   . . 1.800 3.419 3.405 3.442 1.642  4 10  [***+*****-]  1 
       471 1  77 ALA HA  1  78 ALA HA  . . 1.800 4.786 4.757 4.795 2.995  3 10  [**+******-]  1 
       472 1  77 ALA HA  1  78 ALA MB  . . 1.800 4.943 4.926 4.971 3.171  4 10  [***+****-*]  1 
       473 1  77 ALA HA  1  79 THR MG  . . 1.800 4.559 4.417 4.611 2.811  6 10  [***-*+****]  1 
       474 1  77 ALA HA  1  80 SER H   . . 1.800 2.946 2.855 3.086 1.286  8 10  [*-*****+**]  1 
       475 1  77 ALA HA  1  81 THR H   . . 1.800 4.703 4.528 4.917 3.117  4 10  [*-*+******]  1 
       476 1  77 ALA MB  1  78 ALA H   . . 1.800 3.015 2.926 3.086 1.286  5 10  [***-+*****]  1 
       477 1  77 ALA MB  1  79 THR H   . . 1.800 4.502 4.415 4.645 2.845  8 10  [-******+**]  1 
       478 1  77 ALA MB  1  80 SER H   . . 1.800 4.303 4.197 4.436 2.636  4 10  [-**+******]  1 
       479 1  78 ALA H   1  78 ALA MB  . . 1.800 2.128 2.035 2.249 0.449 10  0 "[    .    1]" 1 
       480 1  78 ALA H   1  79 THR H   . . 1.800 2.546 2.486 2.563 0.763  3 10  [**+******-]  1 
       481 1  78 ALA H   1  79 THR MG  . . 1.800 3.913 3.724 3.974 2.174  6 10  [***-*+****]  1 
       482 1  78 ALA H   1  80 SER HA  . . 1.800 5.362 5.311 5.530 3.730  4 10  [***+***-**]  1 
       483 1  78 ALA HA  1  79 THR H   . . 1.800 3.469 3.446 3.503 1.703  8 10  [-******+**]  1 
       484 1  78 ALA HA  1  79 THR MG  . . 1.800 5.061 4.969 5.125 3.325  8 10  [***-***+**]  1 
       485 1  78 ALA MB  1  79 THR H   . . 1.800 2.894 2.803 2.990 1.190  2 10  [*+*****-**]  1 
       486 1  78 ALA MB  1  79 THR HA  . . 1.800 4.055 3.971 4.123 2.323 10 10  [*******-*+]  1 
       487 1  78 ALA MB  1  79 THR MG  . . 1.800 3.605 3.457 3.791 1.991  8 10  [**-****+**]  1 
       488 1  78 ALA MB  1  80 SER H   . . 1.800 4.389 4.346 4.488 2.688  4 10  [***+***-**]  1 
       489 1  79 THR H   1  79 THR MG  . . 1.800 2.164 2.068 2.227 0.427  1  0 "[    .    1]" 1 
       490 1  79 THR H   1  80 SER H   . . 1.800 1.908 1.875 2.020 0.220  8  0 "[    .    1]" 1 
       491 1  79 THR H   1  80 SER HA  . . 1.800 4.133 4.067 4.272 2.472  8 10  [-******+**]  1 
       492 1  79 THR H   1  81 THR H   . . 1.800 3.703 3.529 4.100 2.300  4 10  [***+*****-]  1 
       493 1  79 THR HA  1  79 THR MG  . . 1.800 3.194 3.190 3.202 1.402  4 10  [***+*****-]  1 
       494 1  79 THR HA  1  80 SER H   . . 1.800 3.371 3.301 3.479 1.679  4 10  [***+**-***]  1 
       495 1  79 THR HB  1  80 SER H   . . 1.800 4.256 4.123 4.347 2.547  7 10  [***-**+***]  1 
       496 1  79 THR HB  1  81 THR H   . . 1.800 4.655 4.416 4.801 3.001  3 10  [**+******-]  1 
       497 1  79 THR HB  1  81 THR MG  . . 1.800 5.431 4.965 5.512 3.712  8 10  [***-***+**]  1 
       498 1  79 THR MG  1  80 SER H   . . 1.800 2.427 2.143 2.652 0.852  1  6 "[+*  .** -*]" 1 
       499 1  79 THR MG  1 108 THR HB  . . 1.800 5.542 5.509 5.584 3.784  1 10  [+*-*******]  1 
       500 1  80 SER H   1  81 THR H   . . 1.800 2.706 2.598 2.793 0.993  1 10  [+******-**]  1 
       501 1  80 SER HA  1  81 THR H   . . 1.800 2.843 2.761 2.951 1.151 10 10  [***-*****+]  1 
       502 1  80 SER HA  1  81 THR MG  . . 1.800 4.563 4.316 4.717 2.917  6 10  [***-*+****]  1 
       503 1  80 SER HA  1 107 CYS H   . . 1.800 4.520 3.655 4.894 3.094  6 10  [***-*+****]  1 
       504 1  80 SER QB  1  81 THR H   . . 1.800 3.871 3.804 3.928 2.128  4 10  [***+*****-]  1 
       505 1  80 SER QB  1  81 THR MG  . . 1.800 3.421 3.171 3.611 1.811  6 10  [*****+*-**]  1 
       506 1  80 SER QB  1 107 CYS H   . . 1.800 4.800 4.543 4.920 3.120  1 10  [+******-**]  1 
       507 1  81 THR H   1  81 THR MG  . . 1.800 3.483 3.253 3.597 1.797  6 10  [***-*+****]  1 
       508 1  81 THR H   1  82 LYS H   . . 1.800 4.313 4.281 4.397 2.597  4 10  [***+***-**]  1 
       509 1  81 THR H   1 107 CYS H   . . 1.800 4.099 3.397 4.349 2.549  2 10  [*+*-******]  1 
       510 1  81 THR HA  1  81 THR MG  . . 1.800 2.087 1.999 2.242 0.442  4  0 "[    .    1]" 1 
       511 1  81 THR HA  1  82 LYS H   . . 1.800 2.238 2.202 2.395 0.595  4  1 "[   +.    1]" 1 
       512 1  81 THR HA  1 106 PRO QB  . . 1.800 4.472 3.937 4.718 2.918  2 10  [*+*****-**]  1 
       513 1  81 THR HA  1 107 CYS H   . . 1.800 1.984 1.913 2.091 0.291  2  0 "[    .    1]" 1 
       514 1  81 THR HB  1  82 LYS H   . . 1.800 2.912 2.403 3.041 1.241  9 10  [***-****+*]  1 
       515 1  81 THR HB  1 107 CYS H   . . 1.800 4.458 4.377 4.564 2.764  2 10  [*+**-*****]  1 
       516 1  81 THR MG  1  82 LYS H   . . 1.800 3.496 3.332 3.653 1.853  8 10  [*****-*+**]  1 
       517 1  81 THR MG  1 105 LYS HA  . . 1.800 4.690 4.389 5.510 3.710  8 10  [*****-*+**]  1 
       518 1  81 THR MG  1 106 PRO HA  . . 1.800 2.298 2.014 2.623 0.823  4  4 "[ **+.   -1]" 1 
       519 1  81 THR MG  1 106 PRO QB  . . 1.800 3.476 2.874 3.740 1.940  2 10  [*+*****-**]  1 
       520 1  81 THR MG  1 106 PRO QD  . . 1.800 4.209 3.903 4.477 2.677  4 10  [***+*****-]  1 
       521 1  81 THR MG  1 106 PRO QG  . . 1.800 4.817 4.436 5.043 3.243  4 10  [***+*****-]  1 
       522 1  81 THR MG  1 107 CYS H   . . 1.800 3.313 3.166 3.541 1.741  4 10  [***+-*****]  1 
       523 1  82 LYS H   1  82 LYS QD  . . 1.800 4.157 3.954 4.326 2.526  4 10  [***+*****-]  1 
       524 1  82 LYS H   1  82 LYS QG  . . 1.800 2.179 1.990 2.369 0.569  4  2 "[   +.  - 1]" 1 
       525 1  82 LYS H   1  83 SER H   . . 1.800 4.504 4.395 4.532 2.732  9 10  [***-****+*]  1 
       526 1  82 LYS H   1  83 SER HA  . . 1.800 4.978 4.735 5.046 3.246  1 10  [+**-******]  1 
       527 1  82 LYS H   1 104 THR HA  . . 1.800 4.441 4.254 5.291 3.491  8 10  [***-***+**]  1 
       528 1  82 LYS H   1 105 LYS H   . . 1.800 2.694 2.479 3.546 1.746  8 10  [*****-*+**]  1 
       529 1  82 LYS H   1 106 PRO HA  . . 1.800 3.996 3.194 4.203 2.403  6 10  [*****+*-**]  1 
       530 1  82 LYS H   1 107 CYS H   . . 1.800 2.836 2.534 3.673 1.873  4 10  [***+**-***]  1 
       531 1  82 LYS HA  1  82 LYS QD  . . 1.800 4.201 4.110 4.250 2.450  1 10  [+*-*******]  1 
       532 1  82 LYS HA  1  82 LYS QG  . . 1.800 3.341 3.315 3.361 1.561  3 10  [**+******-]  1 
       533 1  82 LYS HA  1  83 SER H   . . 1.800 2.322 2.276 2.350 0.550  5  8 "[***-+** *1]" 1 
       534 1  82 LYS HA  1  83 SER HA  . . 1.800 4.416 4.380 4.439 2.639  1 10  [+******-**]  1 
       535 1  82 LYS QB  1  82 LYS QD  . . 1.800 2.022 1.920 2.106 0.306  7  0 "[    .    1]" 1 
       536 1  82 LYS QB  1  82 LYS QG  . . 1.800 2.064 2.032 2.076 0.276  1  0 "[    .    1]" 1 
       537 1  82 LYS QB  1  83 SER H   . . 1.800 2.587 2.515 2.718 0.918  8 10  [****-**+**]  1 
       538 1  82 LYS QD  1  82 LYS QE  . . 1.800 2.048 2.034 2.092 0.292  1  0 "[    .    1]" 1 
       539 1  82 LYS QD  1  82 LYS QG  . . 1.800 2.054 2.034 2.084 0.284  4  0 "[    .    1]" 1 
       540 1  82 LYS QD  1  83 SER H   . . 1.800 4.116 3.807 4.322 2.522 10 10  [**-******+]  1 
       541 1  82 LYS QD  1 104 THR MG  . . 1.800 5.167 5.057 5.291 3.491  8 10  [**-****+**]  1 
       542 1  82 LYS QD  1 105 LYS QE  . . 1.800 4.164 3.675 4.615 2.815  8 10  [*******+-*]  1 
       543 1  82 LYS QE  1  82 LYS QG  . . 1.800 2.010 1.933 2.291 0.491  9  0 "[    .    1]" 1 
       544 1  82 LYS QG  1  83 SER H   . . 1.800 3.958 3.867 4.240 2.440 10 10  [******-**+]  1 
       545 1  82 LYS QG  1 105 LYS QD  . . 1.800 3.747 3.108 4.477 2.677  4 10  [***+***-**]  1 
       546 1  83 SER H   1  84 ARG H   . . 1.800 4.467 4.439 4.534 2.734  8 10  [-******+**]  1 
       547 1  83 SER H   1 104 THR HA  . . 1.800 5.008 4.893 5.318 3.518  8 10  [-******+**]  1 
       548 1  83 SER HA  1  84 ARG H   . . 1.800 2.268 2.238 2.328 0.528  8  1 "[    .  + 1]" 1 
       549 1  83 SER HA  1 104 THR HA  . . 1.800 2.724 2.619 2.801 1.001  6 10  [*****+***-]  1 
       550 1  83 SER HA  1 104 THR MG  . . 1.800 3.241 2.503 3.580 1.780  6 10  [*****+*-**]  1 
       551 1  83 SER HA  1 105 LYS H   . . 1.800 4.100 3.653 4.260 2.460  3 10  [**+****-**]  1 
       552 1  83 SER QB  1  84 ARG H   . . 1.800 2.847 2.696 2.917 1.117  6 10  [*****+*-**]  1 
       553 1  83 SER QB  1 103 VAL H   . . 1.800 4.826 4.505 5.383 3.583  8 10  [*******+*-]  1 
       554 1  83 SER QB  1 104 THR HA  . . 1.800 4.775 4.618 4.873 3.073  5 10  [****+****-]  1 
       555 1  83 SER QB  1 104 THR MG  . . 1.800 4.277 3.924 4.582 2.782  6 10  [**-**+****]  1 
       556 1  84 ARG H   1  84 ARG QG  . . 1.800 4.012 3.775 4.223 2.423 10 10  [********-+]  1 
       557 1  84 ARG H   1  85 THR H   . . 1.800 4.289 4.055 4.388 2.588  9 10  [*-******+*]  1 
       558 1  84 ARG H   1  85 THR HA  . . 1.800 4.626 4.514 4.676 2.876  9 10  [*-******+*]  1 
       559 1  84 ARG H   1 103 VAL HA  . . 1.800 4.845 4.697 5.037 3.237  8 10  [*******+*-]  1 
       560 1  84 ARG H   1 103 VAL QG  . . 1.800 2.693 2.294 3.901 2.101  8  9 "[*-* ***+**]" 1 
       561 1  84 ARG H   1 104 THR HA  . . 1.800 3.912 3.243 4.050 2.250  6 10  [*****+*-**]  1 
       562 1  84 ARG HA  1  84 ARG QG  . . 1.800 2.732 2.195 3.220 1.420  2  8 "[ +******-1]" 1 
       563 1  84 ARG HA  1  85 THR H   . . 1.800 2.307 2.142 2.511 0.711  9  4 "[*   .  -+*]" 1 
       564 1  84 ARG HA  1 103 VAL H   . . 1.800 4.657 4.451 4.935 3.135  8 10  [*******+-*]  1 
       565 1  84 ARG HA  1 103 VAL QG  . . 1.800 3.818 3.695 4.028 2.228  8 10  [***-***+**]  1 
       566 1  84 ARG QB  1  84 ARG QG  . . 1.800 2.040 2.008 2.087 0.287  7  0 "[    .    1]" 1 
       567 1  84 ARG QB  1  85 THR H   . . 1.800 3.289 2.259 3.747 1.947  2  9 "[*+****** -]" 1 
       568 1  84 ARG QB  1 103 VAL QG  . . 1.800 1.969 1.782 2.797 0.997  8  1 "[    .  + 1]" 1 
       569 1  84 ARG QG  1  85 THR H   . . 1.800 2.545 1.888 3.816 2.016  9  6 "[ ** ** -+1]" 1 
       570 1  84 ARG QG  1 103 VAL H   . . 1.800 4.511 3.629 5.358 3.558 10 10  [******-**+]  1 
       571 1  84 ARG QG  1 103 VAL QG  . . 1.800 2.620 1.985 3.626 1.826 10  5 "[* * .-  *+]" 1 
       572 1  85 THR H   1  85 THR MG  . . 1.800 3.298 2.160 3.604 1.804  8  9  [**-****+*1]  1 
       573 1  85 THR H   1  86 GLY H   . . 1.800 4.360 4.237 4.468 2.668  4 10  [***+****-*]  1 
       574 1  85 THR H   1 102 SER HA  . . 1.800 4.739 4.507 5.395 3.595  8 10  [*-*****+**]  1 
       575 1  85 THR H   1 103 VAL QG  . . 1.800 3.980 3.198 4.431 2.631  3 10  [**+****-**]  1 
       576 1  85 THR HA  1  85 THR MG  . . 1.800 2.165 1.965 3.173 1.373 10  1 "[    .    +]" 1 
       577 1  85 THR HA  1  86 GLY H   . . 1.800 2.161 2.147 2.213 0.413  4  0 "[    .    1]" 1 
       578 1  85 THR HA  1 101 VAL H   . . 1.800 4.626 4.335 5.278 3.478  8 10  [*******+*-]  1 
       579 1  85 THR HA  1 102 SER H   . . 1.800 4.740 4.544 5.262 3.462  8 10  [*-*****+**]  1 
       580 1  85 THR HA  1 102 SER HA  . . 1.800 2.158 1.988 2.544 0.744  8  2 "[   -.  + 1]" 1 
       581 1  85 THR HA  1 103 VAL H   . . 1.800 3.413 2.813 3.595 1.795  5 10  [****+**-**]  1 
       582 1  85 THR HA  1 103 VAL QG  . . 1.800 3.380 2.172 3.842 2.042  7  9 "[******+ *-]" 1 
       583 1  85 THR HB  1  86 GLY H   . . 1.800 3.471 3.109 3.921 2.121 10 10  [***-*****+]  1 
       584 1  85 THR HB  1 101 VAL QG  . . 1.800 5.329 5.287 5.363 3.563  8 10  [*-*****+**]  1 
       585 1  85 THR MG  1  86 GLY H   . . 1.800 3.514 3.240 4.146 2.346 10 10  [*******-*+]  1 
       586 1  86 GLY H   1 100 THR HA  . . 1.800 5.113 4.749 5.580 3.780  8 10  [***-***+**]  1 
       587 1  86 GLY H   1 101 VAL H   . . 1.800 3.231 2.942 3.646 1.846  8 10  [*******+*-]  1 
       588 1  86 GLY H   1 101 VAL HA  . . 1.800 4.911 4.790 5.068 3.268  8 10  [*******+*-]  1 
       589 1  86 GLY H   1 101 VAL QG  . . 1.800 2.879 2.669 3.040 1.240  6 10  [*****+***-]  1 
       590 1  86 GLY H   1 102 SER HA  . . 1.800 3.173 2.718 3.483 1.683  5 10  [**-*+*****]  1 
       591 1  86 GLY H   1 102 SER QB  . . 1.800 4.884 4.539 5.104 3.304 10 10  [******-**+]  1 
       592 1  86 GLY H   1 103 VAL QG  . . 1.800 3.298 2.328 3.636 1.836  4 10  [***+***-**]  1 
       593 1  86 GLY QA  1  87 THR H   . . 1.800 2.140 2.110 2.180 0.380  8  0 "[    .    1]" 1 
       594 1  86 GLY QA  1 101 VAL QG  . . 1.800 3.135 2.626 3.405 1.605  6 10  [*****+*-**]  1 
       595 1  86 GLY QA  1 103 VAL QG  . . 1.800 3.514 2.578 3.892 2.092  5 10  [****+**-**]  1 
       596 1  87 THR H   1  87 THR MG  . . 1.800 3.652 2.180 3.889 2.089  8  9 "[* *****+*-]" 1 
       597 1  87 THR H   1  88 LEU H   . . 1.800 4.521 4.435 4.590 2.790  5 10  [****+**-**]  1 
       598 1  87 THR H   1 101 VAL QG  . . 1.800 4.906 3.922 5.146 3.346  2 10  [*+*****-**]  1 
       599 1  87 THR HA  1  87 THR MG  . . 1.800 2.339 1.993 3.193 1.393  2  5 "[ +**-   *1]" 1 
       600 1  87 THR HA  1  88 LEU H   . . 1.800 2.207 2.149 2.291 0.491  2  0 "[    .    1]" 1 
       601 1  87 THR HA  1  88 LEU QB  . . 1.800 4.066 4.043 4.104 2.304  3 10  [**+******-]  1 
       602 1  87 THR HA  1  88 LEU QD  . . 1.800 5.095 5.058 5.153 3.353  2 10  [*+***-****]  1 
       603 1  87 THR HA  1 100 THR MG  . . 1.800 2.605 1.981 4.241 2.441  2  5 "[-+  .  ***]" 1 
       604 1  87 THR HA  1 101 VAL H   . . 1.800 3.826 2.985 4.198 2.398  5 10  [****+**-**]  1 
       605 1  87 THR HB  1  88 LEU H   . . 1.800 3.894 3.431 4.131 2.331  9 10  [*******-+*]  1 
       606 1  87 THR HB  1 100 THR MG  . . 1.800 4.640 3.964 5.424 3.624  2 10  [*+-*******]  1 
       607 1  87 THR MG  1  88 LEU H   . . 1.800 2.470 1.951 3.357 1.557  2  6 "[ + -.****1]" 1 
       608 1  87 THR MG  1  88 LEU QD  . . 1.800 4.676 4.347 5.036 3.236  2 10  [*+-*******]  1 
       609 1  87 THR MG  1  89 GLN QG  . . 1.800 4.560 3.019 5.237 3.437  3 10  [*-+*******]  1 
       610 1  87 THR MG  1  99 GLN QG  . . 1.800 3.584 2.942 5.251 3.451  2 10  [*+*****-**]  1 
       611 1  88 LEU H   1  88 LEU QB  . . 1.800 2.242 2.210 2.279 0.479 10  0 "[    .    1]" 1 
       612 1  88 LEU H   1  88 LEU QD  . . 1.800 3.662 3.611 3.735 1.935 10 10  [******-**+]  1 
       613 1  88 LEU H   1  88 LEU HG  . . 1.800 4.488 4.457 4.524 2.724  7 10  [******+-**]  1 
       614 1  88 LEU H   1  99 GLN HA  . . 1.800 4.002 3.332 4.969 3.169  7 10  [******+-**]  1 
       615 1  88 LEU H   1  99 GLN QG  . . 1.800 3.898 3.353 4.527 2.727  7 10  [*-****+***]  1 
       616 1  88 LEU H   1 100 THR MG  . . 1.800 3.940 3.030 4.949 3.149  2 10  [*+****-***]  1 
       617 1  88 LEU HA  1  88 LEU QD  . . 1.800 2.099 1.950 2.800 1.000  2  1 "[ +  .    1]" 1 
       618 1  88 LEU HA  1  89 GLN H   . . 1.800 2.194 2.139 2.242 0.442  4  0 "[    .    1]" 1 
       619 1  88 LEU HA  1  90 LYS H   . . 1.800 4.441 3.730 4.852 3.052  4 10  [***+*****-]  1 
       620 1  88 LEU QB  1  88 LEU QD  . . 1.800 1.909 1.782 1.946 0.146  7  0 "[    .    1]" 1 
       621 1  88 LEU QB  1  89 GLN H   . . 1.800 3.658 3.521 3.827 2.027  5 10  [***-+*****]  1 
       622 1  88 LEU QB  1  99 GLN HA  . . 1.800 2.611 2.007 3.297 1.497  7  9 "[****-*+ **]" 1 
       623 1  88 LEU QB  1  99 GLN QG  . . 1.800 3.702 3.157 4.141 2.341  9 10  [****-***+*]  1 
       624 1  88 LEU QB  1 100 THR H   . . 1.800 4.442 4.061 4.729 2.929 10 10  [****-****+]  1 
       625 1  88 LEU MD1 1  88 LEU MD2 . . 1.800 1.998 1.905 2.058 0.258  2  0 "[    .    1]" 1 
       626 1  88 LEU QD  1  88 LEU HG  . . 1.800 1.870 1.858 1.885 0.085 10  0 "[    .    1]" 1 
       627 1  88 LEU QD  1  89 GLN H   . . 1.800 2.617 2.237 3.124 1.324  2  8 "[*+****  -*]" 1 
       628 1  88 LEU QD  1  90 LYS H   . . 1.800 3.378 2.643 3.983 2.183  4 10  [***+****-*]  1 
       629 1  88 LEU QD  1  90 LYS HA  . . 1.800 4.143 3.588 5.303 3.503 10 10  [*-*******+]  1 
       630 1  88 LEU QD  1  91 ALA MB  . . 1.800 3.468 3.072 4.060 2.260  8 10  [**-****+**]  1 
       631 1  88 LEU QD  1  97 CYS H   . . 1.800 3.442 2.784 4.447 2.647  1 10  [+******-**]  1 
       632 1  88 LEU QD  1  97 CYS QB  . . 1.800 1.952 1.708 2.455 0.655  2  2 "[-+  .    1]" 1 
       633 1  88 LEU QD  1  99 GLN HA  . . 1.800 2.677 2.006 2.996 1.196  9  9  [***-.***+*]  1 
       634 1  88 LEU QD  1  99 GLN QB  . . 1.800 4.182 3.707 4.478 2.678  9 10  [****-***+*]  1 
       635 1  88 LEU QD  1  99 GLN QG  . . 1.800 4.367 3.645 4.843 3.043  8 10  [****-**+**]  1 
       636 1  88 LEU HG  1  89 GLN H   . . 1.800 2.813 2.097 3.428 1.628  1  8 "[+ * *****-]" 1 
       637 1  89 GLN H   1  89 GLN QG  . . 1.800 2.815 1.962 3.695 1.895  5  8 "[** *+*** -]" 1 
       638 1  89 GLN H   1  90 LYS H   . . 1.800 2.449 1.896 2.904 1.104  1  6 "[+- ****  1]" 1 
       639 1  89 GLN HA  1  89 GLN QG  . . 1.800 2.647 2.086 3.342 1.542  8  6 "[ -* . *+**]" 1 
       640 1  89 GLN HA  1  90 LYS H   . . 1.800 3.546 3.516 3.557 1.757  6 10  [*****+***-]  1 
       641 1  89 GLN QB  1  89 GLN QG  . . 1.800 2.073 2.026 2.096 0.296  9  0 "[    .    1]" 1 
       642 1  89 GLN QB  1  90 LYS H   . . 1.800 2.536 1.920 3.459 1.659 10  4 "[  - .  **+]" 1 
       643 1  89 GLN QG  1  90 LYS H   . . 1.800 3.189 1.914 4.043 2.243  2  6 "[*+ ***-  1]" 1 
       644 1  89 GLN QG  1  90 LYS QD  . . 1.800 3.593 2.315 4.152 2.352 10 10  [**-******+]  1 
       645 1  90 LYS H   1  90 LYS QD  . . 1.800 2.620 2.019 4.199 2.399 10  4 "[-   .  **+]" 1 
       646 1  90 LYS H   1  90 LYS QG  . . 1.800 2.940 2.383 4.061 2.261  8 10  [*******+-*]  1 
       647 1  90 LYS H   1  91 ALA H   . . 1.800 4.422 4.293 4.579 2.779  8 10  [*-*****+**]  1 
       648 1  90 LYS HA  1  90 LYS QD  . . 1.800 3.290 1.976 3.664 1.864  4  8 "[***+-** *1]" 1 
       649 1  90 LYS HA  1  90 LYS QG  . . 1.800 3.279 2.549 3.441 1.641  7 10  [******+**-]  1 
       650 1  90 LYS HA  1  91 ALA H   . . 1.800 2.302 2.147 2.364 0.564  5  7 "[* **+-* *1]" 1 
       651 1  90 LYS HA  1  91 ALA MB  . . 1.800 3.944 3.887 3.997 2.197  4 10  [***+-*****]  1 
       652 1  90 LYS QB  1  90 LYS QE  . . 1.800 3.484 3.286 3.737 1.937  2 10  [*+*-******]  1 
       653 1  90 LYS QB  1  90 LYS QG  . . 1.800 2.014 2.001 2.027 0.227  1  0 "[    .    1]" 1 
       654 1  90 LYS QB  1  91 ALA H   . . 1.800 2.779 2.507 3.641 1.841  8 10  [*******+-*]  1 
       655 1  90 LYS QB  1  92 LEU QD  . . 1.800 3.949 3.284 4.523 2.723  4 10  [**-+******]  1 
       656 1  90 LYS QD  1  90 LYS QG  . . 1.800 2.058 2.040 2.099 0.299 10  0 "[    .    1]" 1 
       657 1  90 LYS QD  1  91 ALA H   . . 1.800 4.026 2.375 4.901 3.101  6 10  [*****+*-**]  1 
       658 1  90 LYS QD  1  92 LEU QB  . . 1.800 4.620 3.660 5.097 3.297  7 10  [******+-**]  1 
       659 1  90 LYS QD  1  92 LEU QD  . . 1.800 3.284 1.987 3.888 2.088  2  8 "[*+ *-*** *]" 1 
       660 1  90 LYS QE  1  92 LEU QB  . . 1.800 4.571 3.621 5.076 3.276 10 10  [*-*******+]  1 
       661 1  90 LYS QE  1  92 LEU QD  . . 1.800 3.376 1.820 4.505 2.705 10  8 "[** *-*** +]" 1 
       662 1  90 LYS QG  1  91 ALA H   . . 1.800 3.832 2.744 4.487 2.687  5 10  [****+**-**]  1 
       663 1  90 LYS QG  1  92 LEU QD  . . 1.800 3.273 2.410 4.674 2.874 10 10  [*******-*+]  1 
       664 1  91 ALA H   1  91 ALA MB  . . 1.800 2.382 2.183 2.663 0.863  8  7 "[  - ***+**]" 1 
       665 1  91 ALA HA  1  92 LEU H   . . 1.800 2.148 2.143 2.182 0.382  9  0 "[    .    1]" 1 
       666 1  91 ALA HA  1  93 PHE H   . . 1.800 3.701 3.434 4.109 2.309  7 10  [*-****+***]  1 
       667 1  91 ALA MB  1  92 LEU H   . . 1.800 3.203 2.946 3.310 1.510  1 10  [+*******-*]  1 
       668 1  91 ALA MB  1  95 VAL H   . . 1.800 4.636 2.613 5.506 3.706  2 10  [*+*-******]  1 
       669 1  92 LEU H   1  92 LEU QB  . . 1.800 2.861 2.603 3.070 1.270  8 10  [*-*****+**]  1 
       670 1  92 LEU H   1  92 LEU QD  . . 1.800 2.538 1.993 3.571 1.771  2  5 "[ +* .  **-]" 1 
       671 1  92 LEU H   1  92 LEU HG  . . 1.800 2.540 2.101 4.796 2.996  2  3 "[ + -.  * 1]" 1 
       672 1  92 LEU H   1  93 PHE H   . . 1.800 2.428 1.901 3.262 1.462  7  5 "[  -*.*+ *1]" 1 
       673 1  92 LEU HA  1  92 LEU QD  . . 1.800 3.050 2.192 3.462 1.662 10  9 "[* -******+]" 1 
       674 1  92 LEU HA  1  93 PHE H   . . 1.800 3.100 2.667 3.502 1.702  5 10  [****+*-***]  1 
       675 1  92 LEU QB  1  92 LEU QD  . . 1.800 1.832 1.779 1.915 0.115  3  0 "[    .    1]" 1 
       676 1  92 LEU QB  1  93 PHE H   . . 1.800 3.764 3.435 4.030 2.230  4 10  [***+-*****]  1 
       677 1  92 LEU MD1 1  92 LEU MD2 . . 1.800 2.030 1.948 2.090 0.290  6  0 "[    .    1]" 1 
       678 1  92 LEU QD  1  92 LEU HG  . . 1.800 1.878 1.868 1.888 0.088  6  0 "[    .    1]" 1 
       679 1  92 LEU QD  1  93 PHE H   . . 1.800 3.916 3.078 4.406 2.606  2 10  [*+*******-]  1 
       680 1  92 LEU HG  1  93 PHE H   . . 1.800 3.652 2.054 5.229 3.429  2  8  [-+**.****1]  1 
       681 1  93 PHE H   1  93 PHE QD  . . 1.800 3.839 3.164 4.545 2.745  6 10  [*-***+****]  1 
       682 1  93 PHE HA  1  93 PHE QD  . . 1.800 2.731 2.101 3.125 1.325  5  9 "[****+* *-*]" 1 
       683 1  93 PHE HA  1  95 VAL H   . . 1.800 4.831 3.167 5.502 3.702  8 10  [**-****+**]  1 
       684 1  94 ASN HA  1  95 VAL H   . . 1.800 2.677 2.162 3.566 1.766  9  6 "[***-. * +1]" 1 
       685 1  94 ASN HA  1  95 VAL QG  . . 1.800 4.095 3.770 4.544 2.744  3 10  [**+*****-*]  1 
       686 1  94 ASN QB  1  95 VAL H   . . 1.800 3.453 1.910 3.920 2.120  7  9 "[*-****+* *]" 1 
       687 1  95 VAL H   1  95 VAL QG  . . 1.800 2.536 1.862 3.295 1.495  7  8 "[  ****+**-]" 1 
       688 1  95 VAL H   1  96 GLU H   . . 1.800 4.273 4.110 4.520 2.720  1 10  [+******-**]  1 
       689 1  95 VAL HA  1  95 VAL QG  . . 1.800 2.130 1.953 2.238 0.438  1  0 "[    .    1]" 1 
       690 1  95 VAL HA  1  96 GLU H   . . 1.800 2.303 2.180 2.629 0.829  1  3 "[+*  . -  1]" 1 
       691 1  95 VAL HB  1  95 VAL QG  . . 1.800 1.880 1.868 1.897 0.097  9  0 "[    .    1]" 1 
       692 1  95 VAL HB  1  96 GLU H   . . 1.800 3.677 1.945 4.173 2.373  8  8 "[  *-***+**]" 1 
       693 1  95 VAL QG  1  96 GLU H   . . 1.800 2.371 2.060 2.982 1.182  2  4 "[*+- .   *1]" 1 
       694 1  95 VAL QG  1  96 GLU QG  . . 1.800 3.597 2.718 4.845 3.045  1 10  [+*****-***]  1 
       695 1  96 GLU H   1  96 GLU QG  . . 1.800 2.713 2.043 3.992 2.192 10  4 "[*   *  - +]" 1 
       696 1  96 GLU H   1  97 CYS H   . . 1.800 4.466 4.335 4.614 2.814  9 10  [********+-]  1 
       697 1  96 GLU HA  1  96 GLU QG  . . 1.800 3.102 2.461 3.381 1.581  7 10  [****-*+***]  1 
       698 1  96 GLU HA  1  97 CYS H   . . 1.800 2.172 2.138 2.236 0.436  8  0 "[    .    1]" 1 
       699 1  96 GLU QB  1  96 GLU QG  . . 1.800 2.032 2.030 2.034 0.234  1  0 "[    .    1]" 1 
       700 1  96 GLU QB  1  97 CYS H   . . 1.800 3.329 2.826 3.889 2.089  5 10  [****+***-*]  1 
       701 1  96 GLU QG  1  97 CYS H   . . 1.800 3.798 2.893 4.428 2.628  6 10  [*****+***-]  1 
       702 1  97 CYS HA  1  98 GLN H   . . 1.800 2.303 2.230 2.411 0.611  4  4 "[ * +.  * -]" 1 
       703 1  97 CYS HA  1  98 GLN QB  . . 1.800 4.231 4.047 4.470 2.670  7 10  [**-***+***]  1 
       704 1  97 CYS QB  1  98 GLN H   . . 1.800 2.722 2.433 3.033 1.233  9 10  [*******-+*]  1 
       705 1  98 GLN H   1  98 GLN QG  . . 1.800 3.262 2.947 3.619 1.819  4 10  [-**+******]  1 
       706 1  98 GLN HA  1  98 GLN QG  . . 1.800 2.187 2.020 2.334 0.534  1  1 "[+   .    1]" 1 
       707 1  98 GLN HA  1  99 GLN H   . . 1.800 2.297 2.202 2.309 0.509  6  9 "[*****+* *-]" 1 
       708 1  98 GLN QB  1  98 GLN QG  . . 1.800 2.065 2.024 2.096 0.296  2  0 "[    .    1]" 1 
       709 1  98 GLN QB  1 100 THR H   . . 1.800 2.593 2.358 3.148 1.348 10 10  [*-*******+]  1 
       710 1  98 GLN QB  1 101 VAL QG  . . 1.800 2.407 2.319 2.640 0.840  2 10  [*+***-****]  1 
       711 1  98 GLN QE  1 101 VAL QG  . . 1.800 3.926 2.573 4.607 2.807 10 10  [***-*****+]  1 
       712 1  98 GLN QG  1 101 VAL QG  . . 1.800 4.020 3.424 4.342 2.542  2 10  [*+*-******]  1 
       713 1  99 GLN H   1  99 GLN QG  . . 1.800 4.029 4.014 4.062 2.262  8 10  [******-+**]  1 
       714 1  99 GLN H   1 100 THR H   . . 1.800 2.796 2.543 2.989 1.189 10 10  [***-*****+]  1 
       715 1  99 GLN HA  1  99 GLN QG  . . 1.800 2.627 2.390 2.886 1.086  8 10  [****-**+**]  1 
       716 1  99 GLN HA  1 100 THR H   . . 1.800 3.528 3.499 3.571 1.771 10 10  [*******-*+]  1 
       717 1  99 GLN QB  1  99 GLN QG  . . 1.800 2.022 2.003 2.026 0.226  7  0 "[    .    1]" 1 
       718 1  99 GLN QB  1 100 THR H   . . 1.800 2.567 2.128 2.743 0.943  8  9  [*****-*+*1]  1 
       719 1  99 GLN QB  1 100 THR MG  . . 1.800 4.605 2.920 4.878 3.078  3 10  [*-+*******]  1 
       720 1  99 GLN QG  1 100 THR H   . . 1.800 3.736 3.219 4.005 2.205  5 10  [****+****-]  1 
       721 1  99 GLN QG  1 100 THR MG  . . 1.800 4.180 3.447 4.538 2.738  5 10  [*-**+*****]  1 
       722 1 100 THR H   1 100 THR MG  . . 1.800 3.830 2.434 4.019 2.219  5 10  [*-**+*****]  1 
       723 1 100 THR H   1 101 VAL H   . . 1.800 4.397 4.354 4.494 2.694 10 10  [***-*****+]  1 
       724 1 100 THR H   1 101 VAL QG  . . 1.800 3.617 3.462 3.820 2.020 10 10  [**-******+]  1 
       725 1 100 THR HA  1 100 THR MG  . . 1.800 2.300 2.124 3.207 1.407  2  1 "[ +  .    1]" 1 
       726 1 100 THR HA  1 101 VAL H   . . 1.800 2.287 2.264 2.423 0.623  2  2 "[ +  . -  1]" 1 
       727 1 100 THR HA  1 101 VAL QG  . . 1.800 3.160 3.093 3.226 1.426  5 10  [****+*-***]  1 
       728 1 100 THR HB  1 101 VAL H   . . 1.800 3.503 3.353 3.720 1.920  2 10  [*+****-***]  1 
       729 1 100 THR MG  1 101 VAL H   . . 1.800 2.232 2.012 3.409 1.609  2  2 "[ +- .    1]" 1 
       730 1 100 THR MG  1 101 VAL HB  . . 1.800 5.460 5.357 5.591 3.791  2 10  [*+****-***]  1 
       731 1 101 VAL H   1 101 VAL QG  . . 1.800 2.242 2.171 2.299 0.499  8  0 "[    .    1]" 1 
       732 1 101 VAL HA  1 101 VAL QG  . . 1.800 2.336 2.290 2.384 0.584  7  8 "[****.*+ -*]" 1 
       733 1 101 VAL HA  1 102 SER H   . . 1.800 2.310 2.236 2.487 0.687  3  3 "[  + . -* 1]" 1 
       734 1 101 VAL HB  1 101 VAL QG  . . 1.800 1.879 1.875 1.894 0.094  8  0 "[    .    1]" 1 
       735 1 101 VAL HB  1 102 SER H   . . 1.800 2.667 2.238 2.852 1.052  5  8 "[** *+*- **]" 1 
       736 1 101 VAL HB  1 103 VAL QG  . . 1.800 4.253 4.044 4.438 2.638  9 10  [****-***+*]  1 
       737 1 101 VAL MG1 1 101 VAL MG2 . . 1.800 2.053 2.023 2.096 0.296  8  0 "[    .    1]" 1 
       738 1 101 VAL QG  1 102 SER H   . . 1.800 3.239 2.940 3.365 1.565  5 10  [****+**-**]  1 
       739 1 101 VAL QG  1 102 SER HA  . . 1.800 3.874 3.624 3.987 2.187  9 10  [******-*+*]  1 
       740 1 101 VAL QG  1 102 SER QB  . . 1.800 4.603 4.249 4.747 2.947  2 10  [*+*****-**]  1 
       741 1 101 VAL QG  1 103 VAL H   . . 1.800 4.929 4.663 5.015 3.215  6 10  [*****+*-**]  1 
       742 1 101 VAL QG  1 103 VAL HB  . . 1.800 5.360 5.204 5.442 3.642  7 10  [******+*-*]  1 
       743 1 101 VAL QG  1 103 VAL QG  . . 1.800 2.861 2.704 2.962 1.162  9 10  [*******-+*]  1 
       744 1 102 SER H   1 103 VAL H   . . 1.800 4.548 4.472 4.580 2.780  9 10  [******-*+*]  1 
       745 1 102 SER HA  1 103 VAL H   . . 1.800 2.343 2.307 2.360 0.560  3 10  [**+****-**]  1 
       746 1 102 SER HA  1 103 VAL QG  . . 1.800 3.161 2.955 3.226 1.426  4 10  [***+***-**]  1 
       747 1 102 SER QB  1 103 VAL H   . . 1.800 2.762 2.508 3.315 1.515  8 10  [*******+-*]  1 
       748 1 103 VAL H   1 103 VAL QG  . . 1.800 2.238 2.171 2.287 0.487  9  0 "[    .    1]" 1 
       749 1 103 VAL H   1 104 THR H   . . 1.800 4.426 4.348 4.449 2.649  9 10  [*******-+*]  1 
       750 1 103 VAL HA  1 103 VAL QG  . . 1.800 2.298 1.978 2.423 0.623  9  6 "[* * .** +-]" 1 
       751 1 103 VAL HA  1 104 THR H   . . 1.800 2.376 2.207 2.435 0.635  9  9 "[***-*** +*]" 1 
       752 1 103 VAL HB  1 103 VAL QG  . . 1.800 1.876 1.866 1.887 0.087  7  0 "[    .    1]" 1 
       753 1 103 VAL HB  1 104 THR H   . . 1.800 2.569 2.387 3.427 1.627  8 10  [****-**+**]  1 
       754 1 103 VAL MG1 1 103 VAL MG2 . . 1.800 2.034 1.969 2.088 0.288  7  0 "[    .    1]" 1 
       755 1 103 VAL QG  1 104 THR H   . . 1.800 2.961 2.513 3.235 1.435  4 10  [***+***-**]  1 
       756 1 103 VAL QG  1 104 THR HA  . . 1.800 3.500 3.278 4.252 2.452  8 10  [******-+**]  1 
       757 1 104 THR H   1 104 THR MG  . . 1.800 3.977 3.952 3.987 2.187  7 10  [***-**+***]  1 
       758 1 104 THR H   1 105 LYS H   . . 1.800 4.388 4.337 4.406 2.606  6 10  [***-*+****]  1 
       759 1 104 THR HA  1 104 THR MG  . . 1.800 2.132 2.006 2.236 0.436  7  0 "[    .    1]" 1 
       760 1 104 THR HA  1 105 LYS H   . . 1.800 2.256 2.198 2.278 0.478  1  0 "[    .    1]" 1 
       761 1 104 THR HB  1 105 LYS H   . . 1.800 3.518 3.452 3.558 1.758  4 10  [**-+******]  1 
       762 1 104 THR MG  1 105 LYS H   . . 1.800 2.102 1.925 2.429 0.629  4  2 "[   +.  - 1]" 1 
       763 1 104 THR MG  1 105 LYS QB  . . 1.800 4.293 4.163 4.568 2.768  4 10  [***+**-***]  1 
       764 1 105 LYS H   1 105 LYS QG  . . 1.800 4.043 3.830 4.355 2.555  8 10  [*-*****+**]  1 
       765 1 105 LYS HA  1 105 LYS QD  . . 1.800 3.724 3.085 4.059 2.259  2 10  [*+*****-**]  1 
       766 1 105 LYS HA  1 106 PRO QB  . . 1.800 4.549 4.535 4.566 2.766  4 10  [***+***-**]  1 
       767 1 105 LYS HA  1 106 PRO QD  . . 1.800 2.018 1.938 2.078 0.278  4  0 "[    .    1]" 1 
       768 1 105 LYS HA  1 106 PRO QG  . . 1.800 3.926 3.841 3.992 2.192  4 10  [***+*****-]  1 
       769 1 105 LYS QB  1 105 LYS QD  . . 1.800 2.108 1.945 2.306 0.506  9  1 "[    .   +1]" 1 
       770 1 105 LYS QB  1 105 LYS QE  . . 1.800 2.812 1.976 3.403 1.603 10  7 "[* *-** * +]" 1 
       771 1 105 LYS QB  1 105 LYS QG  . . 1.800 2.063 2.022 2.094 0.294  2  0 "[    .    1]" 1 
       772 1 105 LYS QB  1 106 PRO QD  . . 1.800 2.831 2.585 3.327 1.527 10 10  [***-*****+]  1 
       773 1 105 LYS QD  1 105 LYS QE  . . 1.800 2.041 1.986 2.090 0.290  1  0 "[    .    1]" 1 
       774 1 105 LYS QD  1 105 LYS QG  . . 1.800 2.046 2.026 2.069 0.269  5  0 "[    .    1]" 1 
       775 1 105 LYS QE  1 105 LYS QG  . . 1.800 2.298 2.000 2.720 0.920  9  5 "[ - *. * +*]" 1 
       776 1 105 LYS QE  1 106 PRO QD  . . 1.800 3.630 2.569 4.145 2.345  5 10  [****+*-***]  1 
       777 1 105 LYS QG  1 106 PRO QD  . . 1.800 1.995 1.893 2.151 0.351  9  0 "[    .    1]" 1 
       778 1 106 PRO HA  1 107 CYS H   . . 1.800 2.378 2.156 2.498 0.698  2  7 "[*+- *** *1]" 1 
       779 1 106 PRO QB  1 107 CYS H   . . 1.800 3.831 3.504 3.960 2.160  2 10  [*+*****-**]  1 
       780 1 106 PRO QD  1 106 PRO QG  . . 1.800 1.970 1.969 1.971 0.171  1  0 "[    .    1]" 1 
       781 1 106 PRO QD  1 107 CYS H   . . 1.800 4.530 4.338 4.906 3.106  8 10  [*-*****+**]  1 
       782 1 106 PRO QG  1 107 CYS H   . . 1.800 4.659 4.598 4.760 2.960 10 10  [*-*******+]  1 
       783 1 107 CYS HA  1 108 THR H   . . 1.800 2.233 2.225 2.241 0.441  2  0 "[    .    1]" 1 
       784 1 108 THR HA  1 108 THR MG  . . 1.800 3.188 3.179 3.193 1.393  9 10  [*****-**+*]  1 
       785 1 108 THR HA  1 109 THR H   . . 1.800 2.226 2.142 2.293 0.493  6  0 "[    .    1]" 1 
       786 1 108 THR HB  1 109 THR H   . . 1.800 3.905 3.753 4.146 2.346 10 10  [*****-***+]  1 
       787 1 109 THR H   1 109 THR MG  . . 1.800 3.237 1.924 3.988 2.188  2  8 "[-+**. ****]" 1 
       788 1 109 THR HA  1 109 THR MG  . . 1.800 2.509 1.994 3.199 1.399  5  7 "[*-  +****1]" 1 
       789 1 109 THR HA  1 110 LYS H   . . 1.800 2.445 2.142 3.571 1.771  3  6 "[  +*** - *]" 1 
       790 1 109 THR HA  1 110 LYS QE  . . 1.800 4.804 3.804 5.291 3.491  8 10  [*****-*+**]  1 
       791 1 109 THR HB  1 110 LYS H   . . 1.800 3.633 2.270 4.493 2.693  8  9 "[** ****+*-]" 1 
       792 1 109 THR MG  1 110 LYS H   . . 1.800 2.958 2.010 3.825 2.025  3  8 "[* + **-***]" 1 
       793 1 110 LYS H   1 110 LYS QG  . . 1.800 3.284 1.990 4.400 2.600  3  6 "[ *+*- ** 1]" 1 
       794 1 110 LYS HA  1 111 VAL H   . . 1.800 2.429 2.247 2.717 0.917  6  8 "[* *-*+ ***]" 1 
       795 1 110 LYS QB  1 111 VAL H   . . 1.800 2.767 1.955 3.506 1.706  2  6 "[ +**. **-1]" 1 
       796 1 110 LYS QD  1 111 VAL H   . . 1.800 3.885 2.994 4.556 2.756 10 10  [***-*****+]  1 
       797 1 110 LYS QG  1 111 VAL H   . . 1.800 2.554 1.937 3.408 1.608  9  5 "[*   *-  +*]" 1 
       798 1 110 LYS QG  1 111 VAL HB  . . 1.800 3.290 2.966 3.438 1.638  6 10  [*****+**-*]  1 
       799 1 111 VAL H   1 111 VAL QG  . . 1.800 2.244 2.072 2.560 0.760 10  4 "[*   *   -+]" 1 
       800 1 111 VAL HA  1 111 VAL QG  . . 1.800 2.072 2.044 2.107 0.307  9  0 "[    .    1]" 1 
       801 1 111 VAL HA  1 112 LYS H   . . 1.800 2.232 2.156 2.330 0.530  5  3 "[    +   -*]" 1 
       802 1 111 VAL HB  1 111 VAL QG  . . 1.800 1.876 1.862 1.888 0.088 10  0 "[    .    1]" 1 
       803 1 111 VAL HB  1 112 LYS H   . . 1.800 4.234 3.976 4.482 2.682  9 10  [*-******+*]  1 
       804 1 111 VAL QG  1 112 LYS H   . . 1.800 2.746 2.155 3.398 1.598 10  8 "[* ****- *+]" 1 
       805 1 112 LYS H   1 112 LYS QE  . . 1.800 4.274 2.732 4.983 3.183  2 10  [*+*******-]  1 
       806 1 112 LYS H   1 112 LYS QG  . . 1.800 2.606 2.219 3.728 1.928  2  5 "[*+ *.-  *1]" 1 
       807 1 113 ASN HA  1 114 LYS H   . . 1.800 2.300 2.146 2.570 0.770 10  3 "[*   .-   +]" 1 
       808 1 113 ASN QB  1 114 LYS H   . . 1.800 3.130 2.051 3.905 2.105  1  9  [+****-***1]  1 
       809 1 114 LYS H   1 114 LYS QG  . . 1.800 3.521 3.243 4.157 2.357  6 10  [-****+****]  1 
       810 1 114 LYS HA  1 115 PRO QD  . . 1.800 2.135 1.950 2.157 0.357  5  0 "[    .    1]" 1 
       811 1 114 LYS QB  1 115 PRO QD  . . 1.800 2.226 1.997 3.290 1.490  6  1 "[    .+   1]" 1 
       812 1 115 PRO HA  1 116 LYS H   . . 1.800 2.426 2.150 3.550 1.750  7  2 "[    . +  -]" 1 
       813 1 115 PRO QB  1 116 LYS H   . . 1.800 3.186 1.939 3.368 1.568  8  9  [******-+*1]  1 
       814 1 115 PRO QB  1 116 LYS HA  . . 1.800 4.037 3.785 4.091 2.291  3 10  [**+******-]  1 
       815 1 115 PRO QD  1 115 PRO QG  . . 1.800 1.970 1.969 1.970 0.170  3  0 "[    .    1]" 1 
       816 1 115 PRO QD  1 116 LYS QG  . . 1.800 4.018 3.244 4.396 2.596  5 10  [****+****-]  1 
       817 1 116 LYS H   1 116 LYS QG  . . 1.800 2.921 2.103 3.112 1.312  8  9 "[****** +*-]" 1 
       818 1 116 LYS HA  1 117 GLY H   . . 1.800 2.328 2.145 2.720 0.920 10  3 "[    *-   +]" 1 
       819 1 117 GLY QA  1 118 LYS H   . . 1.800 2.204 2.109 2.642 0.842  7  1 "[    . +  1]" 1 
       820 1 118 LYS H   1 121 LYS H   . . 1.800 3.215 2.392 3.472 1.672  2 10  [-+********]  1 
       821 1 118 LYS HA  1 119 LYS H   . . 1.800 2.745 2.140 3.570 1.770  6  7 "[  ***+- **]" 1 
       822 1 119 LYS HA  1 120 GLY H   . . 1.800 3.172 2.575 3.540 1.740  7 10  [******+*-*]  1 
       823 1 120 GLY QA  1 121 LYS H   . . 1.800 2.691 2.487 2.850 1.050  6 10  [*****+*-**]  1 
    stop_

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