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
556592 2m03 18792 cing 4-filtered-FRED Wattos check violation distance


data_2m03


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              500
    _Distance_constraint_stats_list.Viol_count                    3130
    _Distance_constraint_stats_list.Viol_total                    18203.961
    _Distance_constraint_stats_list.Viol_max                      1.849
    _Distance_constraint_stats_list.Viol_rms                      0.2114
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0910
    _Distance_constraint_stats_list.Viol_average_violations_only  0.2908
    _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   8 SER  1.156 0.165  3  0 "[    .    1    .    2]" 
       1   9 ASN  8.387 0.518  5  1 "[    +    1    .    2]" 
       1  10 ARG  9.390 0.700  7  6 "[    * + -1*   .*   *]" 
       1  11 GLU  8.387 0.518  5  1 "[    +    1    .    2]" 
       1  12 LEU 18.987 0.878  2  2 "[ +  . -  1    .    2]" 
       1  13 VAL 66.671 1.658  3 20  [**+***********-*****]  
       1  14 VAL 19.320 0.722 20 17 "[*** *-* **** ******+]" 
       1  15 ASP 13.136 0.707 16  5 "[    . **-1    .+*  2]" 
       1  16 PHE  4.403 0.347 16  0 "[    .    1    .    2]" 
       1  17 LEU 49.243 1.551  4 20  [***+********-*******]  
       1  18 SER 20.339 0.824 14 19 "[*************+*- ***]" 
       1  19 TYR 10.433 0.433  3  0 "[    .    1    .    2]" 
       1  20 LYS  2.706 0.188 14  0 "[    .    1    .    2]" 
       1  21 LEU 35.874 1.252 15 17 "[***** ***1***-+* ***]" 
       1  22 SER 18.912 1.511 12 12 "[ * -. ***1 +****  **]" 
       1  23 GLN 20.948 0.730 15  4 "[    .  *-1    +  * 2]" 
       1  24 LYS  7.832 1.197 16  2 "[    .   -1    .+   2]" 
       1  25 GLY 13.779 0.557 18  2 "[    .   -1    .  + 2]" 
       1  26 TYR 14.124 0.730 15  3 "[    .  * 1  - +    2]" 
       1  27 SER  6.459 0.414  5  0 "[    .    1    .    2]" 
       1  28 TRP 11.458 0.648 15  3 "[    .  * 1    +   -2]" 
       1  29 SER  0.092 0.092  1  0 "[    .    1    .    2]" 
       1  30 GLN  5.219 0.615 15  1 "[    .    1    +    2]" 
       1  31 PHE  0.092 0.092  1  0 "[    .    1    .    2]" 
       1  32 SER  4.553 0.615 15  1 "[    .    1    +    2]" 
       1  33 ASP  9.305 0.792 13 12 "[*** .   *1-*+*.*** *]" 
       1  34 VAL  8.298 0.792 13 12 "[*** .   *1-*+*.*** *]" 
       1  35 GLU  1.082 0.224 13  0 "[    .    1    .    2]" 
       1  39 THR  0.242 0.106  1  0 "[    .    1    .    2]" 
       1  40 GLU  1.020 0.232  3  0 "[    .    1    .    2]" 
       1  41 ALA  0.778 0.232  3  0 "[    .    1    .    2]" 
       1  43 GLU  0.839 0.200 19  0 "[    .    1    .    2]" 
       1  44 GLY  1.574 0.200 19  0 "[    .    1    .    2]" 
       1  45 THR  0.398 0.163 17  0 "[    .    1    .    2]" 
       1  46 GLU  0.517 0.151  7  0 "[    .    1    .    2]" 
       1  47 SER  3.565 0.247 15  0 "[    .    1    .    2]" 
       1  48 GLU  1.651 0.199  3  0 "[    .    1    .    2]" 
       1  49 ALA  3.839 0.247 15  0 "[    .    1    .    2]" 
       1  50 VAL 15.982 0.944  2  6 "[*+* * *  1    *    2]" 
       1  51 LYS 10.805 0.878  2  3 "[ +  . *  1    -    2]" 
       1  52 GLN 15.824 0.690  9  8 "[ ***.  -+1  **.    *]" 
       1  53 ALA 23.697 0.705 16 11 "[*  **-  ****  .+* *2]" 
       1  54 LEU 88.964 1.314 17 20  [*****-**********+***]  
       1  55 ARG 13.378 0.508  9  2 "[    .   +1-   .    2]" 
       1  56 GLU 16.461 0.690  9  8 "[ ***.  -+1  **.    *]" 
       1  57 ALA 12.181 0.336 11  0 "[    .    1    .    2]" 
       1  58 GLY  6.612 0.314 20  0 "[    .    1    .    2]" 
       1  59 ASP  8.988 0.319  7  0 "[    .    1    .    2]" 
       1  60 GLU 12.883 0.735  4  3 "[   +.    1    .  *-2]" 
       1  61 PHE  6.572 0.283  2  0 "[    .    1    .    2]" 
       1  62 GLU  5.705 0.352 13  0 "[    .    1    .    2]" 
       1  63 LEU  7.758 0.377 14  0 "[    .    1    .    2]" 
       1  64 ARG  0.010 0.010  4  0 "[    .    1    .    2]" 
       1  65 TYR  5.639 0.377 14  0 "[    .    1    .    2]" 
       1  66 ARG  1.142 0.157 18  0 "[    .    1    .    2]" 
       1  67 ARG  0.761 0.157  8  0 "[    .    1    .    2]" 
       1  68 ALA  1.074 0.179 14  0 "[    .    1    .    2]" 
       1  69 PHE  1.103 0.149  7  0 "[    .    1    .    2]" 
       1  70 SER  0.828 0.179 14  0 "[    .    1    .    2]" 
       1  71 ASP  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  72 LEU 45.390 1.450 17 20  [*********-******+***]  
       1  73 THR  2.045 0.229 14  0 "[    .    1    .    2]" 
       1  74 SER  4.994 0.322 16  0 "[    .    1    .    2]" 
       1  75 GLN  3.561 0.229 14  0 "[    .    1    .    2]" 
       1  76 LEU  0.159 0.095 13  0 "[    .    1    .    2]" 
       1  77 HIS  1.652 0.164  2  0 "[    .    1    .    2]" 
       1  78 ILE 28.602 1.189 15 20  [*-************+*****]  
       1  84 TYR  0.305 0.095 18  0 "[    .    1    .    2]" 
       1  85 GLN  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  86 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
       1  88 GLU  4.685 0.291 11  0 "[    .    1    .    2]" 
       1  89 GLN 10.466 0.431  5  0 "[    .    1    .    2]" 
       1  90 VAL  8.485 0.888 11  1 "[    .    1+   .    2]" 
       1  91 VAL 18.610 0.340  4  0 "[    .    1    .    2]" 
       1  92 ASN 10.453 0.431  5  0 "[    .    1    .    2]" 
       1  93 GLU 13.497 0.839 11  4 "[    .*   -+   *    2]" 
       1  94 LEU  5.537 0.395 10  0 "[    .    1    .    2]" 
       1  95 PHE 32.624 1.450 17 20  [***************-+***]  
       1  96 ARG  7.369 0.566 11  2 "[    .    1+  -.    2]" 
       1  97 ASP  6.105 0.567 11  2 "[    .    1+   .-   2]" 
       1  98 GLY  7.384 0.566 11  2 "[    .    1+  -.    2]" 
       1  99 VAL 48.546 1.849 16 19 "[******** **-***+****]" 
       1 100 ASN  1.584 0.437 10  0 "[    .    1    .    2]" 
       1 101 TRP 16.235 0.720 19  9 "[-   ***  *  * * * +2]" 
       1 102 GLY 13.444 0.866 11  9 "[ * *.- * *+ ***    2]" 
       1 103 ARG 17.218 0.534  7  3 "[-   * +  1    .    2]" 
       1 104 ILE 24.026 0.893  9  9 "[ *  .   +*****.-*  2]" 
       1 105 VAL 22.722 0.735  4  4 "[   +.    1    .- **2]" 
       1 106 ALA 17.324 0.866 11  9 "[ * *.- * *+ ***    2]" 
       1 107 PHE  5.526 0.315 13  0 "[    .    1    .    2]" 
       1 108 PHE  3.952 0.317 11  0 "[    .    1    .    2]" 
       1 109 SER  5.603 0.311 14  0 "[    .    1    .    2]" 
       1 110 PHE 11.697 0.349 17  0 "[    .    1    .    2]" 
       1 111 GLY 14.207 0.911 16  3 "[    .    1    .+-  *]" 
       1 112 GLY  3.611 0.270  5  0 "[    .    1    .    2]" 
       1 113 ALA 16.819 1.286 12  6 "[  * .    1 +  .**- *]" 
       1 114 LEU 12.603 1.359 12  7 "[  * -  * 1 +* .  **2]" 
       1 115 CYS  0.175 0.095 17  0 "[    .    1    .    2]" 
       1 116 VAL 40.020 1.511 12 18  [***-*****1*+**.*****]  
       1 117 GLU  6.799 0.437 13  0 "[    .    1    .    2]" 
       1 118 SER 22.616 1.252 15 13 "[*****    1***-+* **2]" 
       1 119 VAL 30.877 1.189 15 15 "[ *********** -+**  2]" 
       1 120 ASP  6.141 0.281  4  0 "[    .    1    .    2]" 
       1 121 LYS  6.290 0.460 18  0 "[    .    1    .    2]" 
       1 122 GLU  5.619 0.335  4  0 "[    .    1    .    2]" 
       1 124 GLN  6.181 0.449 10  0 "[    .    1    .    2]" 
       1 125 VAL 12.288 0.886  6 12 "[  * *+*  1**-*.* ***]" 
       1 126 LEU 34.572 0.886  6 16 "[* ***+***1**-*.* ***]" 
       1 127 VAL  5.340 0.481 17  0 "[    .    1    .    2]" 
       1 128 SER 13.475 0.553 19  5 "[*   .    1 *  -*  +2]" 
       1 129 ARG 14.343 0.673 18 11 "[*-**.  * 1  **. *+**]" 
       1 130 ILE 35.391 1.551  4 20  [***+**********-*****]  
       1 131 ALA 31.347 1.658  3 20  [**+***********-*****]  
       1 132 ALA 32.843 1.596 18 20  [****************-+**]  
       1 133 TRP  9.878 0.615  4 10 "[** +***  1  * *  -*2]" 
       1 134 MET 11.689 0.420 10  0 "[    .    1    .    2]" 
       1 135 ALA  5.955 0.296 16  0 "[    .    1    .    2]" 
       1 136 THR  8.547 0.420 10  0 "[    .    1    .    2]" 
       1 137 TYR  2.816 0.296 16  0 "[    .    1    .    2]" 
       1 138 LEU 12.019 0.458  3  0 "[    .    1    .    2]" 
       1 139 ASN 20.760 1.095  6 20  [*****+**********-***]  
       1 140 ASP 14.455 0.468 17  0 "[    .    1    .    2]" 
       1 141 HIS 26.431 1.095  6 20  [*****+**********-***]  
       1 142 LEU 39.662 1.183  1 16 "[+***.-** **** * ****]" 
       1 143 GLU  8.101 0.418 17  0 "[    .    1    .    2]" 
       1 145 TRP 36.862 1.849 16 20  [***************+****]  
       1 146 ILE 29.983 1.691  3 18 "[**+***** -* ********]" 
       1 147 GLN  2.821 0.181 13  0 "[    .    1    .    2]" 
       1 148 GLU  7.044 0.420  7  0 "[    .    1    .    2]" 
       1 149 ASN 11.142 0.420  7  0 "[    .    1    .    2]" 
       1 150 GLY  0.160 0.051  7  0 "[    .    1    .    2]" 
       1 151 GLY  4.257 0.383  5  0 "[    .    1    .    2]" 
       1 152 TRP 31.423 1.691  3 19 "[**+*****-** ********]" 
       1 153 ASP 15.300 0.944  2  6 "[*+- * *  1    *    2]" 
       1 154 THR  8.770 0.464 11  0 "[    .    1    .    2]" 
       1 155 PHE 14.824 0.506  5  1 "[    +    1    .    2]" 
       1 156 VAL 43.885 1.314 17 20  [*************-**+***]  
       1 157 GLU  8.216 0.506  5  1 "[    +    1    .    2]" 
       1 158 LEU 10.560 0.614  4  8 "[** +. *  *   -**   2]" 
       1 159 TYR  2.475 0.250 12  0 "[    .    1    .    2]" 
       1 160 GLY  2.807 0.231 13  0 "[    .    1    .    2]" 
       1 161 ASN  0.903 0.150  5  0 "[    .    1    .    2]" 
       1 162 ASN  0.493 0.124  3  0 "[    .    1    .    2]" 
       1 163 ALA  3.067 0.212  1  0 "[    .    1    .    2]" 
       1 164 ALA  1.691 0.173 13  0 "[    .    1    .    2]" 
       1 165 ALA  0.000 0.000  .  0 "[    .    1    .    2]" 
       1 166 GLU  3.502 0.212  1  0 "[    .    1    .    2]" 
       1 167 SER  0.000 0.000  .  0 "[    .    1    .    2]" 
    stop_

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

         1 1   8 SER H   1   9 ASN H   . . 3.520 2.705 2.572 2.869     .  0  0 "[    .    1    .    2]" 1 
         2 1   8 SER H   1  10 ARG H   . . 4.080 4.134 4.049 4.245 0.165  3  0 "[    .    1    .    2]" 1 
         3 1   9 ASN H   1  10 ARG H   . . 3.200 2.648 2.561 2.754     .  0  0 "[    .    1    .    2]" 1 
         4 1   9 ASN H   1  11 GLU H   . . 3.690 4.109 4.020 4.208 0.518  5  1 "[    +    1    .    2]" 1 
         5 1  10 ARG H   1  11 GLU H   . . 2.960 2.726 2.686 2.790     .  0  0 "[    .    1    .    2]" 1 
         6 1  10 ARG H   1  12 LEU H   . . 4.040 4.072 3.976 4.196 0.156  1  0 "[    .    1    .    2]" 1 
         7 1  10 ARG H   1 152 TRP HE1 . . 6.500 6.846 6.020 7.200 0.700  7  6 "[    * + -1*   .*   *]" 1 
         8 1  11 GLU H   1  12 LEU H   . . 2.960 2.627 2.570 2.698     .  0  0 "[    .    1    .    2]" 1 
         9 1  12 LEU H   1  12 LEU MD1 . . 5.500 3.736 2.456 4.253     .  0  0 "[    .    1    .    2]" 1 
        10 1  12 LEU H   1  12 LEU MD2 . . 5.500 3.963 2.509 4.310     .  0  0 "[    .    1    .    2]" 1 
        11 1  12 LEU H   1  13 VAL H   . . 2.540 2.870 2.767 2.937 0.397 12  0 "[    .    1    .    2]" 1 
        12 1  12 LEU H   1  13 VAL QG  . . 4.840 4.052 3.739 4.270     .  0  0 "[    .    1    .    2]" 1 
        13 1  12 LEU H   1  14 VAL H   . . 3.830 4.165 4.084 4.281 0.451 16  0 "[    .    1    .    2]" 1 
        14 1  12 LEU QD  1  13 VAL H   . . 5.130 3.709 2.781 4.035     .  0  0 "[    .    1    .    2]" 1 
        15 1  12 LEU QD  1  50 VAL QG  . . 3.030 1.792 1.694 2.093     .  0  0 "[    .    1    .    2]" 1 
        16 1  12 LEU QD  1  54 LEU QD  . . 3.210 2.394 1.838 3.386 0.176  7  0 "[    .    1    .    2]" 1 
        17 1  12 LEU QD  1 152 TRP HE1 . . 4.450 3.803 2.418 4.805 0.355 11  0 "[    .    1    .    2]" 1 
        18 1  12 LEU MD1 1  51 LYS H   . . 5.500 4.365 3.019 6.293 0.793  7  1 "[    . +  1    .    2]" 1 
        19 1  12 LEU MD2 1  51 LYS H   . . 5.500 4.795 2.205 6.378 0.878  2  1 "[ +  .    1    .    2]" 1 
        20 1  13 VAL H   1  13 VAL QG  . . 3.770 2.033 1.882 2.210     .  0  0 "[    .    1    .    2]" 1 
        21 1  13 VAL H   1  14 VAL H   . . 3.100 2.607 2.515 2.822     .  0  0 "[    .    1    .    2]" 1 
        22 1  13 VAL H   1  14 VAL QG  . . 5.070 4.178 3.775 4.470     .  0  0 "[    .    1    .    2]" 1 
        23 1  13 VAL H   1  15 ASP H   . . 3.790 4.013 3.953 4.098 0.308 17  0 "[    .    1    .    2]" 1 
        24 1  13 VAL H   1  16 PHE H   . . 4.950 4.952 4.752 5.144 0.194 17  0 "[    .    1    .    2]" 1 
        25 1  13 VAL QG  1  14 VAL H   . . 5.160 2.814 2.074 3.371     .  0  0 "[    .    1    .    2]" 1 
        26 1  13 VAL QG  1  14 VAL QG  . . 3.740 3.073 2.087 4.124 0.384 19  0 "[    .    1    .    2]" 1 
        27 1  13 VAL QG  1  15 ASP H   . . 5.110 4.383 4.007 4.661     .  0  0 "[    .    1    .    2]" 1 
        28 1  13 VAL QG  1  17 LEU H   . . 5.110 4.110 3.885 4.735     .  0  0 "[    .    1    .    2]" 1 
        29 1  13 VAL QG  1  17 LEU QD  . . 3.170 2.245 1.904 2.932     .  0  0 "[    .    1    .    2]" 1 
        30 1  13 VAL QG  1 131 ALA H   . . 5.110 6.573 6.028 6.768 1.658  3 20  [**+***********-*****]  1 
        31 1  13 VAL QG  1 132 ALA H   . . 5.110 6.310 5.859 6.706 1.596 18 20  [**************-**+**]  1 
        32 1  13 VAL QG  1 134 MET H   . . 5.500 5.507 5.161 5.720 0.220 16  0 "[    .    1    .    2]" 1 
        33 1  13 VAL QG  1 135 ALA H   . . 5.270 3.770 3.312 4.015     .  0  0 "[    .    1    .    2]" 1 
        34 1  13 VAL QG  1 136 THR H   . . 5.500 5.006 4.507 5.318     .  0  0 "[    .    1    .    2]" 1 
        35 1  13 VAL QG  1 138 LEU QD  . . 2.390 2.091 1.861 2.443 0.053 10  0 "[    .    1    .    2]" 1 
        36 1  14 VAL H   1  14 VAL QG  . . 3.660 2.386 1.938 2.671     .  0  0 "[    .    1    .    2]" 1 
        37 1  14 VAL H   1  15 ASP H   . . 2.880 2.574 2.515 2.627     .  0  0 "[    .    1    .    2]" 1 
        38 1  14 VAL H   1  54 LEU QD  . . 5.130 5.728 5.347 5.852 0.722 20 17 "[*** *-* **** ******+]" 1 
        39 1  14 VAL QG  1  15 ASP H   . . 4.410 3.080 2.215 3.443     .  0  0 "[    .    1    .    2]" 1 
        40 1  15 ASP H   1  16 PHE H   . . 2.810 2.724 2.605 2.796     .  0  0 "[    .    1    .    2]" 1 
        41 1  15 ASP H   1  17 LEU H   . . 3.900 4.052 3.883 4.175 0.275 12  0 "[    .    1    .    2]" 1 
        42 1  15 ASP H   1  18 SER H   . . 4.670 4.523 4.480 4.592     .  0  0 "[    .    1    .    2]" 1 
        43 1  15 ASP H   1  54 LEU QD  . . 5.130 5.350 4.572 5.837 0.707 16  5 "[    . **-1    .+*  2]" 1 
        44 1  16 PHE H   1  17 LEU H   . . 2.880 2.777 2.648 2.923 0.043  3  0 "[    .    1    .    2]" 1 
        45 1  16 PHE H   1  17 LEU QD  . . 5.500 4.765 3.953 5.671 0.171 16  0 "[    .    1    .    2]" 1 
        46 1  16 PHE H   1  18 SER H   . . 3.970 4.141 4.034 4.317 0.347 16  0 "[    .    1    .    2]" 1 
        47 1  16 PHE H   1  54 LEU QD  . . 5.500 3.773 3.256 4.297     .  0  0 "[    .    1    .    2]" 1 
        48 1  17 LEU H   1  18 SER H   . . 2.990 2.628 2.572 2.696     .  0  0 "[    .    1    .    2]" 1 
        49 1  17 LEU H   1  19 TYR H   . . 3.760 4.136 4.076 4.193 0.433  3  0 "[    .    1    .    2]" 1 
        50 1  17 LEU H   1  54 LEU QD  . . 5.130 4.756 4.205 5.193 0.063  6  0 "[    .    1    .    2]" 1 
        51 1  17 LEU QD  1  18 SER H   . . 5.500 4.007 3.060 4.299     .  0  0 "[    .    1    .    2]" 1 
        52 1  17 LEU QD  1  19 TYR H   . . 5.500 5.359 4.663 5.579 0.079 13  0 "[    .    1    .    2]" 1 
        53 1  17 LEU QD  1 111 GLY H   . . 5.500 4.337 3.352 5.969 0.469  3  0 "[    .    1    .    2]" 1 
        54 1  17 LEU QD  1 112 GLY H   . . 5.500 3.509 2.452 5.409     .  0  0 "[    .    1    .    2]" 1 
        55 1  17 LEU QD  1 113 ALA H   . . 5.500 5.259 4.292 6.786 1.286 12  3 "[  * .    1 +  .  - 2]" 1 
        56 1  17 LEU QD  1 114 LEU H   . . 5.500 5.860 5.208 6.859 1.359 12  7 "[  * -  * 1 +* .  **2]" 1 
        57 1  17 LEU QD  1 130 ILE H   . . 5.500 6.566 5.816 7.051 1.551  4 19 "[***+*** ****-*******]" 1 
        58 1  17 LEU QD  1 131 ALA H   . . 5.500 4.686 4.042 5.180     .  0  0 "[    .    1    .    2]" 1 
        59 1  17 LEU QD  1 132 ALA H   . . 5.500 5.500 4.566 6.441 0.941  9  3 "[    .   +1    . -* 2]" 1 
        60 1  18 SER H   1  19 TYR H   . . 3.020 2.524 2.467 2.599     .  0  0 "[    .    1    .    2]" 1 
        61 1  18 SER H   1  20 LYS H   . . 3.970 4.105 4.039 4.158 0.188 14  0 "[    .    1    .    2]" 1 
        62 1  18 SER H   1  21 LEU H   . . 6.000 4.701 4.623 4.801     .  0  0 "[    .    1    .    2]" 1 
        63 1  18 SER H   1  54 LEU QD  . . 5.810 6.520 6.265 6.634 0.824 14 19 "[*************+*- ***]" 1 
        64 1  19 TYR H   1  20 LYS H   . . 2.780 2.670 2.619 2.721     .  0  0 "[    .    1    .    2]" 1 
        65 1  19 TYR H   1  21 LEU H   . . 3.970 4.098 3.989 4.204 0.234  1  0 "[    .    1    .    2]" 1 
        66 1  20 LYS H   1  21 LEU H   . . 2.710 2.662 2.592 2.715 0.005 10  0 "[    .    1    .    2]" 1 
        67 1  21 LEU H   1  21 LEU QD  . . 4.720 3.550 2.666 3.786     .  0  0 "[    .    1    .    2]" 1 
        68 1  21 LEU H   1  22 SER H   . . 2.880 2.855 2.742 2.956 0.076  8  0 "[    .    1    .    2]" 1 
        69 1  21 LEU H   1  23 GLN H   . . 3.940 4.165 4.077 4.266 0.326 13  0 "[    .    1    .    2]" 1 
        70 1  21 LEU H   1 116 VAL QG  . . 5.500 5.188 3.175 6.724 1.224 16  5 "[    . * *1 *  .+   -]" 1 
        71 1  21 LEU QD  1  26 TYR H   . . 5.160 4.487 3.688 5.744 0.584 13  1 "[    .    1  + .    2]" 1 
        72 1  21 LEU QD  1  28 TRP H   . . 5.160 4.674 2.476 5.808 0.648 15  3 "[    .  * 1    +   -2]" 1 
        73 1  21 LEU QD  1  28 TRP HE1 . . 4.320 3.625 1.733 4.713 0.393  6  0 "[    .    1    .    2]" 1 
        74 1  21 LEU QD  1 118 SER H   . . 5.160 5.863 4.511 6.412 1.252 15 13 "[*****    1***-+* **2]" 1 
        75 1  21 LEU QD  1 119 VAL H   . . 5.160 4.638 3.671 5.364 0.204 16  0 "[    .    1    .    2]" 1 
        76 1  21 LEU QD  1 119 VAL QG  . . 3.430 2.220 1.706 3.154     .  0  0 "[    .    1    .    2]" 1 
        77 1  21 LEU QD  1 127 VAL QG  . . 2.970 2.834 1.818 3.132 0.162 14  0 "[    .    1    .    2]" 1 
        78 1  21 LEU MD1 1  22 SER H   . . 5.500 4.415 3.792 4.762     .  0  0 "[    .    1    .    2]" 1 
        79 1  21 LEU MD2 1  22 SER H   . . 5.500 3.498 2.339 4.442     .  0  0 "[    .    1    .    2]" 1 
        80 1  22 SER H   1  23 GLN H   . . 2.920 2.690 2.579 2.796     .  0  0 "[    .    1    .    2]" 1 
        81 1  22 SER H   1  24 LYS H   . . 4.180 4.081 3.960 4.336 0.156  1  0 "[    .    1    .    2]" 1 
        82 1  22 SER H   1  25 GLY H   . . 4.920 5.145 4.828 5.309 0.389  1  0 "[    .    1    .    2]" 1 
        83 1  22 SER H   1  26 TYR H   . . 4.780 4.847 4.586 5.461 0.681 15  2 "[    .  - 1    +    2]" 1 
        84 1  22 SER H   1 116 VAL QG  . . 5.500 5.965 4.773 7.011 1.511 12 10 "[ * -. * *1 +**.*  **]" 1 
        85 1  23 GLN H   1  24 LYS H   . . 2.780 2.801 2.703 2.870 0.090  1  0 "[    .    1    .    2]" 1 
        86 1  23 GLN H   1  25 GLY H   . . 3.800 4.255 4.196 4.357 0.557 18  2 "[    .   -1    .  + 2]" 1 
        87 1  23 GLN H   1  26 TYR H   . . 4.500 4.840 4.590 5.230 0.730 15  2 "[    .  - 1    +    2]" 1 
        88 1  24 LYS H   1  25 GLY H   . . 2.750 2.463 2.200 2.618     .  0  0 "[    .    1    .    2]" 1 
        89 1  24 LYS H   1  26 TYR H   . . 3.600 3.792 3.699 3.967 0.367 15  0 "[    .    1    .    2]" 1 
        90 1  24 LYS H   1 116 VAL QG  . . 5.500 4.903 3.464 6.697 1.197 16  2 "[    .   -1    .+   2]" 1 
        91 1  25 GLY H   1  26 TYR H   . . 2.710 1.996 1.921 2.079     .  0  0 "[    .    1    .    2]" 1 
        92 1  26 TYR H   1  27 SER H   . . 4.320 3.894 3.275 4.559 0.239 15  0 "[    .    1    .    2]" 1 
        93 1  27 SER H   1  28 TRP H   . . 4.290 4.472 3.654 4.704 0.414  5  0 "[    .    1    .    2]" 1 
        94 1  27 SER H   1  30 GLN H   . . 4.390 4.208 3.296 4.797 0.407  8  0 "[    .    1    .    2]" 1 
        95 1  27 SER H   1  32 SER H   . . 6.000 5.523 3.966 6.262 0.262 15  0 "[    .    1    .    2]" 1 
        96 1  28 TRP H   1  28 TRP HE1 . . 6.000 4.880 4.196 5.886     .  0  0 "[    .    1    .    2]" 1 
        97 1  28 TRP H   1  29 SER H   . . 3.450 2.790 2.586 2.912     .  0  0 "[    .    1    .    2]" 1 
        98 1  28 TRP H   1  30 GLN H   . . 4.630 4.268 3.918 4.783 0.153  7  0 "[    .    1    .    2]" 1 
        99 1  29 SER H   1  30 GLN H   . . 3.520 2.523 2.249 2.750     .  0  0 "[    .    1    .    2]" 1 
       100 1  29 SER H   1  31 PHE H   . . 4.630 4.138 3.721 4.722 0.092  1  0 "[    .    1    .    2]" 1 
       101 1  30 GLN H   1  31 PHE H   . . 3.060 2.344 1.898 2.916     .  0  0 "[    .    1    .    2]" 1 
       102 1  30 GLN H   1  32 SER H   . . 3.830 3.981 3.281 4.445 0.615 15  1 "[    .    1    +    2]" 1 
       103 1  32 SER H   1  33 ASP H   . . 4.570 4.288 3.554 4.689 0.119 14  0 "[    .    1    .    2]" 1 
       104 1  32 SER H   1  35 GLU H   . . 5.020 4.602 3.501 5.134 0.114 10  0 "[    .    1    .    2]" 1 
       105 1  33 ASP H   1  34 VAL H   . . 2.880 2.607 1.913 2.883 0.003  2  0 "[    .    1    .    2]" 1 
       106 1  33 ASP H   1  34 VAL MG1 . . 5.500 4.773 3.298 6.292 0.792 13  6 "[**- .    1  + . *  *]" 1 
       107 1  33 ASP H   1  34 VAL MG2 . . 5.500 5.117 2.827 6.229 0.729 14  6 "[    .   *1-* +.* * 2]" 1 
       108 1  33 ASP H   1  35 GLU H   . . 4.320 4.185 3.307 4.544 0.224 13  0 "[    .    1    .    2]" 1 
       109 1  34 VAL H   1  35 GLU H   . . 3.130 2.398 1.938 2.992     .  0  0 "[    .    1    .    2]" 1 
       110 1  34 VAL QG  1  35 GLU H   . . 4.080 3.023 1.995 3.858     .  0  0 "[    .    1    .    2]" 1 
       111 1  39 THR H   1  40 GLU H   . . 3.310 2.748 2.022 3.416 0.106  1  0 "[    .    1    .    2]" 1 
       112 1  40 GLU H   1  41 ALA H   . . 2.810 2.653 1.961 3.042 0.232  3  0 "[    .    1    .    2]" 1 
       113 1  43 GLU H   1  44 GLY H   . . 3.020 2.900 2.316 3.220 0.200 19  0 "[    .    1    .    2]" 1 
       114 1  44 GLY H   1  45 THR H   . . 3.580 2.866 2.046 3.743 0.163 17  0 "[    .    1    .    2]" 1 
       115 1  44 GLY H   1  46 GLU H   . . 4.850 4.564 3.702 5.001 0.151  7  0 "[    .    1    .    2]" 1 
       116 1  45 THR H   1  46 GLU H   . . 3.270 2.619 1.987 3.360 0.090 15  0 "[    .    1    .    2]" 1 
       117 1  47 SER H   1  49 ALA H   . . 4.040 4.214 3.960 4.287 0.247 15  0 "[    .    1    .    2]" 1 
       118 1  48 GLU H   1  49 ALA H   . . 2.750 2.591 2.461 2.807 0.057  7  0 "[    .    1    .    2]" 1 
       119 1  48 GLU H   1  50 VAL H   . . 4.570 4.602 4.251 4.769 0.199  3  0 "[    .    1    .    2]" 1 
       120 1  49 ALA H   1  50 VAL H   . . 2.880 2.820 2.613 2.973 0.093 10  0 "[    .    1    .    2]" 1 
       121 1  49 ALA H   1  50 VAL QG  . . 5.110 4.112 3.702 4.400     .  0  0 "[    .    1    .    2]" 1 
       122 1  50 VAL H   1  51 LYS H   . . 2.540 2.614 2.547 2.679 0.139  2  0 "[    .    1    .    2]" 1 
       123 1  50 VAL H   1 156 VAL QG  . . 5.050 3.522 2.905 4.085     .  0  0 "[    .    1    .    2]" 1 
       124 1  50 VAL QG  1  53 ALA H   . . 5.260 4.301 4.123 4.491     .  0  0 "[    .    1    .    2]" 1 
       125 1  50 VAL QG  1  54 LEU H   . . 5.260 3.856 3.596 4.577     .  0  0 "[    .    1    .    2]" 1 
       126 1  50 VAL QG  1  54 LEU QD  . . 3.210 3.339 2.929 3.614 0.404  2  0 "[    .    1    .    2]" 1 
       127 1  50 VAL QG  1 152 TRP H   . . 5.260 5.065 4.537 5.877 0.617  7  2 "[ -  . +  1    .    2]" 1 
       128 1  50 VAL QG  1 153 ASP H   . . 5.260 5.617 5.266 6.204 0.944  2  6 "[*+- * *  1    *    2]" 1 
       129 1  50 VAL QG  1 156 VAL QG  . . 2.840 2.254 1.775 2.897 0.057  5  0 "[    .    1    .    2]" 1 
       130 1  50 VAL MG1 1  52 GLN H   . . 5.500 5.223 4.551 5.606 0.106  2  0 "[    .    1    .    2]" 1 
       131 1  50 VAL MG2 1  52 GLN H   . . 5.500 5.452 4.505 5.617 0.117  6  0 "[    .    1    .    2]" 1 
       132 1  51 LYS H   1  52 GLN H   . . 2.850 2.767 2.582 2.911 0.061 16  0 "[    .    1    .    2]" 1 
       133 1  51 LYS H   1  53 ALA H   . . 3.940 4.087 3.933 4.188 0.248  3  0 "[    .    1    .    2]" 1 
       134 1  51 LYS H   1  54 LEU H   . . 5.100 4.723 4.628 4.881     .  0  0 "[    .    1    .    2]" 1 
       135 1  51 LYS H   1 156 VAL QG  . . 5.330 5.412 4.953 5.935 0.605 15  1 "[    .    1    +    2]" 1 
       136 1  52 GLN H   1  53 ALA H   . . 2.780 2.594 2.536 2.666     .  0  0 "[    .    1    .    2]" 1 
       137 1  52 GLN H   1  54 LEU H   . . 3.760 4.076 3.988 4.127 0.367  6  0 "[    .    1    .    2]" 1 
       138 1  52 GLN H   1  56 GLU H   . . 5.500 5.917 5.271 6.190 0.690  9  8 "[ ***.  -+1  **.    *]" 1 
       139 1  53 ALA H   1  54 LEU H   . . 2.810 2.682 2.581 2.846 0.036 16  0 "[    .    1    .    2]" 1 
       140 1  53 ALA H   1  54 LEU QD  . . 5.130 5.619 5.437 5.835 0.705 16  9 "[*  **-   * *  .+* *2]" 1 
       141 1  53 ALA H   1  55 ARG H   . . 3.760 4.190 4.090 4.268 0.508  9  2 "[    .   +1-   .    2]" 1 
       142 1  53 ALA H   1 156 VAL QG  . . 5.330 5.404 5.081 5.618 0.288 17  0 "[    .    1    .    2]" 1 
       143 1  54 LEU H   1  55 ARG H   . . 2.990 2.466 2.200 2.667     .  0  0 "[    .    1    .    2]" 1 
       144 1  54 LEU H   1  56 GLU H   . . 3.900 4.109 3.916 4.210 0.310 14  0 "[    .    1    .    2]" 1 
       145 1  54 LEU H   1  57 ALA H   . . 4.530 4.628 4.397 4.687 0.157  3  0 "[    .    1    .    2]" 1 
       146 1  54 LEU H   1 156 VAL QG  . . 5.330 6.498 6.378 6.644 1.314 17 20  [****-***********+***]  1 
       147 1  54 LEU QD  1  58 GLY H   . . 5.130 3.680 3.250 4.362     .  0  0 "[    .    1    .    2]" 1 
       148 1  54 LEU QD  1 105 VAL QG  . . 3.450 3.841 3.759 3.965 0.515 16  1 "[    .    1    .+   2]" 1 
       149 1  55 ARG H   1  56 GLU H   . . 2.920 2.691 2.608 2.734     .  0  0 "[    .    1    .    2]" 1 
       150 1  55 ARG H   1  57 ALA H   . . 3.900 4.139 4.053 4.236 0.336 11  0 "[    .    1    .    2]" 1 
       151 1  55 ARG H   1  58 GLY H   . . 4.850 4.556 4.331 4.741     .  0  0 "[    .    1    .    2]" 1 
       152 1  56 GLU H   1  57 ALA H   . . 2.920 2.630 2.532 2.715     .  0  0 "[    .    1    .    2]" 1 
       153 1  56 GLU H   1  58 GLY H   . . 3.830 4.015 3.851 4.144 0.314 20  0 "[    .    1    .    2]" 1 
       154 1  57 ALA H   1  58 GLY H   . . 3.020 2.639 2.580 2.698     .  0  0 "[    .    1    .    2]" 1 
       155 1  57 ALA H   1  59 ASP H   . . 3.900 4.166 4.094 4.219 0.319  7  0 "[    .    1    .    2]" 1 
       156 1  58 GLY H   1  59 ASP H   . . 2.990 2.551 2.497 2.624     .  0  0 "[    .    1    .    2]" 1 
       157 1  58 GLY H   1  60 GLU H   . . 3.970 4.107 4.026 4.186 0.216 13  0 "[    .    1    .    2]" 1 
       158 1  58 GLY H   1  61 PHE H   . . 4.780 4.738 4.643 4.857 0.077 13  0 "[    .    1    .    2]" 1 
       159 1  58 GLY H   1 105 VAL QG  . . 5.050 4.497 3.543 5.010     .  0  0 "[    .    1    .    2]" 1 
       160 1  59 ASP H   1  60 GLU H   . . 2.810 2.630 2.561 2.701     .  0  0 "[    .    1    .    2]" 1 
       161 1  59 ASP H   1  61 PHE H   . . 4.000 4.183 4.083 4.283 0.283  2  0 "[    .    1    .    2]" 1 
       162 1  60 GLU H   1  61 PHE H   . . 2.880 2.641 2.552 2.719     .  0  0 "[    .    1    .    2]" 1 
       163 1  60 GLU H   1  62 GLU H   . . 3.790 4.074 4.000 4.142 0.352 13  0 "[    .    1    .    2]" 1 
       164 1  60 GLU H   1 105 VAL QG  . . 5.410 5.477 4.599 6.145 0.735  4  3 "[   +.    1    .  *-2]" 1 
       165 1  61 PHE H   1  62 GLU H   . . 3.060 2.636 2.516 2.700     .  0  0 "[    .    1    .    2]" 1 
       166 1  61 PHE H   1  63 LEU H   . . 3.940 4.077 3.935 4.175 0.235 14  0 "[    .    1    .    2]" 1 
       167 1  61 PHE H   1 105 VAL QG  . . 5.410 3.946 3.346 4.617     .  0  0 "[    .    1    .    2]" 1 
       168 1  62 GLU H   1  63 LEU H   . . 2.670 2.574 2.514 2.654     .  0  0 "[    .    1    .    2]" 1 
       169 1  62 GLU H   1 105 VAL QG  . . 5.410 4.191 2.481 5.443 0.033 18  0 "[    .    1    .    2]" 1 
       170 1  63 LEU H   1  64 ARG H   . . 2.750 2.595 2.483 2.760 0.010  4  0 "[    .    1    .    2]" 1 
       171 1  63 LEU H   1  65 TYR H   . . 3.690 3.941 3.805 4.067 0.377 14  0 "[    .    1    .    2]" 1 
       172 1  63 LEU QD  1  64 ARG H   . . 5.500 3.663 2.743 4.332     .  0  0 "[    .    1    .    2]" 1 
       173 1  63 LEU QD  1  65 TYR H   . . 5.500 4.987 4.364 5.393     .  0  0 "[    .    1    .    2]" 1 
       174 1  64 ARG H   1  65 TYR H   . . 2.750 2.450 2.261 2.614     .  0  0 "[    .    1    .    2]" 1 
       175 1  65 TYR H   1  66 ARG H   . . 2.960 2.864 2.497 3.115 0.155 13  0 "[    .    1    .    2]" 1 
       176 1  66 ARG H   1  67 ARG H   . . 4.530 3.528 2.373 4.687 0.157 18  0 "[    .    1    .    2]" 1 
       177 1  67 ARG H   1  68 ALA H   . . 2.850 2.689 2.527 3.007 0.157  8  0 "[    .    1    .    2]" 1 
       178 1  68 ALA H   1  69 PHE H   . . 3.100 2.760 2.496 3.042     .  0  0 "[    .    1    .    2]" 1 
       179 1  68 ALA H   1  70 SER H   . . 4.360 4.278 3.814 4.539 0.179 14  0 "[    .    1    .    2]" 1 
       180 1  69 PHE H   1  70 SER H   . . 3.270 2.631 2.367 2.908     .  0  0 "[    .    1    .    2]" 1 
       181 1  69 PHE H   1  72 LEU H   . . 4.740 4.795 4.737 4.889 0.149  7  0 "[    .    1    .    2]" 1 
       182 1  70 SER H   1  71 ASP H   . . 3.790 2.721 2.467 3.011     .  0  0 "[    .    1    .    2]" 1 
       183 1  71 ASP H   1  72 LEU H   . . 3.100 2.656 2.449 2.794     .  0  0 "[    .    1    .    2]" 1 
       184 1  72 LEU H   1  72 LEU QD  . . 4.730 3.362 2.526 3.725     .  0  0 "[    .    1    .    2]" 1 
       185 1  72 LEU H   1  73 THR H   . . 2.920 2.782 2.661 2.970 0.050 16  0 "[    .    1    .    2]" 1 
       186 1  72 LEU H   1  74 SER H   . . 3.580 3.822 3.729 3.902 0.322 16  0 "[    .    1    .    2]" 1 
       187 1  72 LEU QD  1  90 VAL H   . . 5.290 5.201 4.780 6.178 0.888 11  1 "[    .    1+   .    2]" 1 
       188 1  72 LEU QD  1  91 VAL H   . . 5.290 5.552 5.366 5.630 0.340  4  0 "[    .    1    .    2]" 1 
       189 1  72 LEU QD  1  93 GLU H   . . 5.290 5.514 4.945 6.129 0.839 11  4 "[    .*   -+   *    2]" 1 
       190 1  72 LEU QD  1  94 LEU H   . . 5.290 4.583 4.247 4.921     .  0  0 "[    .    1    .    2]" 1 
       191 1  72 LEU QD  1  94 LEU MD1 . . 3.560 2.391 1.903 2.972     .  0  0 "[    .    1    .    2]" 1 
       192 1  72 LEU QD  1  94 LEU QD  . . 2.740 2.145 1.690 2.707     .  0  0 "[    .    1    .    2]" 1 
       193 1  72 LEU QD  1  94 LEU MD2 . . 3.560 2.694 1.777 3.237     .  0  0 "[    .    1    .    2]" 1 
       194 1  72 LEU QD  1  95 PHE H   . . 5.290 6.422 5.574 6.740 1.450 17 19 "[********** ****-+***]" 1 
       195 1  72 LEU QD  1 110 PHE H   . . 5.500 4.007 2.933 5.326     .  0  0 "[    .    1    .    2]" 1 
       196 1  72 LEU QD  1 111 GLY H   . . 5.290 5.090 4.597 6.201 0.911 16  1 "[    .    1    .+   2]" 1 
       197 1  72 LEU QD  1 114 LEU H   . . 5.780 5.901 5.504 6.063 0.283  8  0 "[    .    1    .    2]" 1 
       198 1  73 THR H   1  74 SER H   . . 3.130 2.586 2.484 2.707     .  0  0 "[    .    1    .    2]" 1 
       199 1  73 THR H   1  75 GLN H   . . 4.000 4.099 4.027 4.229 0.229 14  0 "[    .    1    .    2]" 1 
       200 1  74 SER H   1  76 LEU H   . . 4.290 4.075 3.870 4.385 0.095 13  0 "[    .    1    .    2]" 1 
       201 1  75 GLN H   1  76 LEU H   . . 2.850 2.383 2.200 2.698     .  0  0 "[    .    1    .    2]" 1 
       202 1  75 GLN H   1  77 HIS H   . . 4.320 4.382 4.130 4.484 0.164  2  0 "[    .    1    .    2]" 1 
       203 1  76 LEU H   1  77 HIS H   . . 2.960 2.763 2.037 2.967 0.007  6  0 "[    .    1    .    2]" 1 
       204 1  76 LEU QD  1  77 HIS H   . . 5.500 4.018 3.009 4.640     .  0  0 "[    .    1    .    2]" 1 
       205 1  77 HIS H   1  78 ILE H   . . 4.000 3.654 2.858 4.057 0.057 18  0 "[    .    1    .    2]" 1 
       206 1  78 ILE H   1  78 ILE MD  . . 5.170 4.417 3.563 4.871     .  0  0 "[    .    1    .    2]" 1 
       207 1  78 ILE H   1 114 LEU QD  . . 5.090 3.417 1.928 5.024     .  0  0 "[    .    1    .    2]" 1 
       208 1  78 ILE MD  1 114 LEU QD  . . 2.710 2.007 1.756 2.729 0.019  4  0 "[    .    1    .    2]" 1 
       209 1  78 ILE MD  1 118 SER H   . . 5.940 4.627 3.424 5.597     .  0  0 "[    .    1    .    2]" 1 
       210 1  78 ILE MD  1 119 VAL H   . . 5.500 6.282 5.010 6.689 1.189 15 15 "[ *********** -+**  2]" 1 
       211 1  78 ILE MD  1 126 LEU MD1 . . 3.620 2.091 1.780 3.027     .  0  0 "[    .    1    .    2]" 1 
       212 1  78 ILE MD  1 126 LEU MD2 . . 3.620 2.294 1.808 3.722 0.102 13  0 "[    .    1    .    2]" 1 
       213 1  78 ILE MD  1 127 VAL H   . . 5.500 5.150 4.569 5.534 0.034  7  0 "[    .    1    .    2]" 1 
       214 1  78 ILE MD  1 128 SER H   . . 6.990 6.949 6.652 7.180 0.190  8  0 "[    .    1    .    2]" 1 
       215 1  78 ILE MD  1 129 ARG H   . . 6.000 6.520 6.386 6.673 0.673 18 11 "[*-**.  * 1  **. *+**]" 1 
       216 1  78 ILE MD  1 130 ILE MD  . . 2.880 2.379 1.828 2.996 0.116  3  0 "[    .    1    .    2]" 1 
       217 1  84 TYR H   1  85 GLN H   . . 3.310 2.879 2.741 3.028     .  0  0 "[    .    1    .    2]" 1 
       218 1  84 TYR H   1 133 TRP HE1 . . 3.790 3.759 3.482 3.885 0.095 18  0 "[    .    1    .    2]" 1 
       219 1  85 GLN H   1  86 SER H   . . 3.660 2.857 2.619 2.988     .  0  0 "[    .    1    .    2]" 1 
       220 1  88 GLU H   1  89 GLN H   . . 3.100 2.689 2.558 2.813     .  0  0 "[    .    1    .    2]" 1 
       221 1  88 GLU H   1  90 VAL H   . . 4.180 4.360 4.291 4.471 0.291 11  0 "[    .    1    .    2]" 1 
       222 1  88 GLU H   1  91 VAL H   . . 4.670 4.720 4.576 4.857 0.187 10  0 "[    .    1    .    2]" 1 
       223 1  89 GLN H   1  90 VAL H   . . 3.130 2.687 2.596 2.785     .  0  0 "[    .    1    .    2]" 1 
       224 1  89 GLN H   1  90 VAL QG  . . 5.100 3.875 3.453 4.179     .  0  0 "[    .    1    .    2]" 1 
       225 1  89 GLN H   1  91 VAL H   . . 3.830 4.028 3.940 4.093 0.263 10  0 "[    .    1    .    2]" 1 
       226 1  89 GLN H   1  91 VAL QG  . . 5.230 4.808 3.889 5.101     .  0  0 "[    .    1    .    2]" 1 
       227 1  89 GLN H   1  92 ASN H   . . 4.320 4.646 4.568 4.751 0.431  5  0 "[    .    1    .    2]" 1 
       228 1  90 VAL H   1  91 VAL H   . . 3.020 2.649 2.553 2.779     .  0  0 "[    .    1    .    2]" 1 
       229 1  90 VAL H   1  91 VAL QG  . . 5.210 4.130 3.648 4.340     .  0  0 "[    .    1    .    2]" 1 
       230 1  90 VAL H   1  92 ASN H   . . 4.110 4.259 4.120 4.347 0.237  2  0 "[    .    1    .    2]" 1 
       231 1  90 VAL QG  1  91 VAL QG  . . 3.870 2.722 2.048 3.693     .  0  0 "[    .    1    .    2]" 1 
       232 1  91 VAL H   1  91 VAL QG  . . 3.690 2.323 1.911 2.554     .  0  0 "[    .    1    .    2]" 1 
       233 1  91 VAL H   1  92 ASN H   . . 3.060 2.626 2.564 2.668     .  0  0 "[    .    1    .    2]" 1 
       234 1  91 VAL H   1  93 GLU H   . . 3.790 4.006 3.833 4.080 0.290 15  0 "[    .    1    .    2]" 1 
       235 1  91 VAL QG  1  94 LEU QD  . . 3.330 3.506 2.841 3.638 0.308  7  0 "[    .    1    .    2]" 1 
       236 1  91 VAL QG  1  95 PHE H   . . 5.230 4.133 3.798 4.827     .  0  0 "[    .    1    .    2]" 1 
       237 1  91 VAL MG1 1  93 GLU H   . . 5.500 4.988 4.799 5.427     .  0  0 "[    .    1    .    2]" 1 
       238 1  91 VAL MG2 1  93 GLU H   . . 5.500 5.216 4.235 5.477     .  0  0 "[    .    1    .    2]" 1 
       239 1  92 ASN H   1  93 GLU H   . . 2.960 2.687 2.568 2.766     .  0  0 "[    .    1    .    2]" 1 
       240 1  92 ASN H   1  94 LEU H   . . 4.320 4.349 4.215 4.470 0.150 11  0 "[    .    1    .    2]" 1 
       241 1  93 GLU H   1  94 LEU H   . . 2.920 2.642 2.590 2.708     .  0  0 "[    .    1    .    2]" 1 
       242 1  93 GLU H   1  95 PHE H   . . 3.660 3.854 3.720 3.949 0.289  8  0 "[    .    1    .    2]" 1 
       243 1  94 LEU H   1  94 LEU MD1 . . 5.500 3.033 2.167 4.331     .  0  0 "[    .    1    .    2]" 1 
       244 1  94 LEU H   1  94 LEU MD2 . . 5.500 3.685 3.146 4.225     .  0  0 "[    .    1    .    2]" 1 
       245 1  94 LEU H   1  95 PHE H   . . 2.880 2.623 2.510 2.745     .  0  0 "[    .    1    .    2]" 1 
       246 1  94 LEU QD  1  95 PHE H   . . 5.270 4.104 3.606 4.313     .  0  0 "[    .    1    .    2]" 1 
       247 1  94 LEU QD  1 106 ALA H   . . 5.170 4.009 3.369 5.565 0.395 10  0 "[    .    1    .    2]" 1 
       248 1  94 LEU QD  1 107 PHE H   . . 4.450 3.588 2.942 4.481 0.031 10  0 "[    .    1    .    2]" 1 
       249 1  95 PHE H   1  96 ARG H   . . 2.750 2.639 2.426 2.772 0.022 10  0 "[    .    1    .    2]" 1 
       250 1  95 PHE H   1  97 ASP H   . . 4.290 4.590 4.229 4.857 0.567 11  2 "[    .    1+   .-   2]" 1 
       251 1  96 ARG H   1  97 ASP H   . . 3.020 2.626 2.446 2.822     .  0  0 "[    .    1    .    2]" 1 
       252 1  96 ARG H   1  98 GLY H   . . 3.520 3.887 3.740 4.086 0.566 11  2 "[    .    1+  -.    2]" 1 
       253 1  97 ASP H   1  98 GLY H   . . 2.540 2.158 1.919 2.564 0.024 17  0 "[    .    1    .    2]" 1 
       254 1  98 GLY H   1  99 VAL H   . . 4.300 4.008 3.812 4.186     .  0  0 "[    .    1    .    2]" 1 
       255 1  98 GLY H   1  99 VAL QG  . . 5.220 4.742 3.110 5.202     .  0  0 "[    .    1    .    2]" 1 
       256 1  99 VAL H   1  99 VAL QG  . . 3.400 2.429 1.980 3.084     .  0  0 "[    .    1    .    2]" 1 
       257 1  99 VAL H   1 101 TRP H   . . 4.390 3.895 3.106 4.431 0.041 19  0 "[    .    1    .    2]" 1 
       258 1  99 VAL H   1 101 TRP HE1 . . 4.910 3.806 2.667 4.950 0.040  9  0 "[    .    1    .    2]" 1 
       259 1  99 VAL H   1 102 GLY H   . . 3.760 3.470 2.720 3.989 0.229 11  0 "[    .    1    .    2]" 1 
       260 1  99 VAL H   1 142 LEU QD  . . 5.370 6.099 5.044 6.553 1.183  1 16 "[+***.*** **-* * ****]" 1 
       261 1  99 VAL QG  1 100 ASN H   . . 3.470 2.242 1.949 3.010     .  0  0 "[    .    1    .    2]" 1 
       262 1  99 VAL QG  1 101 TRP HE1 . . 5.500 4.146 3.166 5.165     .  0  0 "[    .    1    .    2]" 1 
       263 1  99 VAL QG  1 103 ARG H   . . 5.220 4.362 3.643 4.711     .  0  0 "[    .    1    .    2]" 1 
       264 1  99 VAL QG  1 104 ILE H   . . 5.220 5.274 4.612 5.599 0.379 14  0 "[    .    1    .    2]" 1 
       265 1  99 VAL QG  1 104 ILE MD  . . 4.000 4.022 3.372 4.310 0.310 14  0 "[    .    1    .    2]" 1 
       266 1  99 VAL QG  1 142 LEU QD  . . 3.140 3.205 2.393 3.521 0.381  6  0 "[    .    1    .    2]" 1 
       267 1  99 VAL QG  1 145 TRP H   . . 5.220 6.465 5.719 7.069 1.849 16 19 "[******** ******+*-**]" 1 
       268 1  99 VAL QG  1 146 ILE MD  . . 4.640 2.985 2.323 3.975     .  0  0 "[    .    1    .    2]" 1 
       269 1 100 ASN H   1 102 GLY H   . . 4.530 3.111 2.641 3.849     .  0  0 "[    .    1    .    2]" 1 
       270 1 100 ASN H   1 104 ILE MD  . . 4.750 4.021 2.140 4.872 0.122  8  0 "[    .    1    .    2]" 1 
       271 1 100 ASN H   1 142 LEU QD  . . 5.370 4.974 2.985 5.807 0.437 10  0 "[    .    1    .    2]" 1 
       272 1 101 TRP H   1 101 TRP HE1 . . 6.000 4.659 3.977 5.176     .  0  0 "[    .    1    .    2]" 1 
       273 1 101 TRP H   1 102 GLY H   . . 2.880 2.771 2.436 3.001 0.121 15  0 "[    .    1    .    2]" 1 
       274 1 101 TRP H   1 103 ARG H   . . 3.660 4.065 3.919 4.194 0.534  7  3 "[-   * +  1    .    2]" 1 
       275 1 101 TRP H   1 104 ILE H   . . 4.810 4.874 4.597 5.005 0.195 14  0 "[    .    1    .    2]" 1 
       276 1 101 TRP H   1 142 LEU QD  . . 6.120 6.341 5.417 6.840 0.720 19  6 "[    .-   *  * * * +2]" 1 
       277 1 102 GLY H   1 103 ARG H   . . 2.780 1.953 1.755 2.052     .  0  0 "[    .    1    .    2]" 1 
       278 1 102 GLY H   1 104 ILE H   . . 3.660 3.705 3.313 3.987 0.327 14  0 "[    .    1    .    2]" 1 
       279 1 102 GLY H   1 106 ALA H   . . 4.810 5.319 4.916 5.676 0.866 11  9 "[ * *.- * *+ ***    2]" 1 
       280 1 103 ARG H   1 104 ILE H   . . 2.810 2.665 2.552 2.824 0.014 15  0 "[    .    1    .    2]" 1 
       281 1 103 ARG H   1 104 ILE MD  . . 5.500 3.977 3.501 4.547     .  0  0 "[    .    1    .    2]" 1 
       282 1 103 ARG H   1 105 VAL H   . . 3.800 4.135 3.920 4.289 0.489  2  0 "[    .    1    .    2]" 1 
       283 1 103 ARG H   1 105 VAL QG  . . 5.410 4.513 3.788 4.791     .  0  0 "[    .    1    .    2]" 1 
       284 1 103 ARG H   1 106 ALA H   . . 4.500 4.620 4.499 4.763 0.263 11  0 "[    .    1    .    2]" 1 
       285 1 104 ILE H   1 104 ILE MD  . . 4.850 2.367 1.955 2.936     .  0  0 "[    .    1    .    2]" 1 
       286 1 104 ILE H   1 105 VAL H   . . 2.960 2.520 2.418 2.701     .  0  0 "[    .    1    .    2]" 1 
       287 1 104 ILE H   1 105 VAL QG  . . 4.810 3.775 3.402 3.953     .  0  0 "[    .    1    .    2]" 1 
       288 1 104 ILE H   1 106 ALA H   . . 3.830 4.011 3.898 4.186 0.356 11  0 "[    .    1    .    2]" 1 
       289 1 104 ILE MD  1 105 VAL H   . . 5.500 4.058 3.720 4.433     .  0  0 "[    .    1    .    2]" 1 
       290 1 104 ILE MD  1 138 LEU QD  . . 3.750 3.218 2.718 3.744     .  0  0 "[    .    1    .    2]" 1 
       291 1 104 ILE MD  1 142 LEU MD1 . . 3.380 2.928 1.789 3.565 0.185  9  0 "[    .    1    .    2]" 1 
       292 1 104 ILE MD  1 142 LEU QD  . . 2.400 2.206 1.754 2.560 0.160 20  0 "[    .    1    .    2]" 1 
       293 1 104 ILE MD  1 142 LEU MD2 . . 3.380 2.593 1.822 3.548 0.168  3  0 "[    .    1    .    2]" 1 
       294 1 104 ILE MD  1 145 TRP H   . . 6.640 6.925 6.072 7.533 0.893  9  9 "[ *  .   +*****.-*  2]" 1 
       295 1 104 ILE MD  1 146 ILE H   . . 5.500 5.533 4.465 5.974 0.474 16  0 "[    .    1    .    2]" 1 
       296 1 104 ILE MD  1 146 ILE MD  . . 2.980 2.659 1.885 3.064 0.084 16  0 "[    .    1    .    2]" 1 
       297 1 105 VAL H   1 105 VAL QG  . . 3.700 2.024 1.829 2.154     .  0  0 "[    .    1    .    2]" 1 
       298 1 105 VAL H   1 106 ALA H   . . 2.960 2.839 2.672 2.940     .  0  0 "[    .    1    .    2]" 1 
       299 1 105 VAL H   1 107 PHE H   . . 3.870 4.055 3.950 4.185 0.315 13  0 "[    .    1    .    2]" 1 
       300 1 105 VAL QG  1 109 SER H   . . 5.410 4.934 4.280 5.345     .  0  0 "[    .    1    .    2]" 1 
       301 1 105 VAL MG1 1 106 ALA H   . . 4.810 3.519 2.170 3.900     .  0  0 "[    .    1    .    2]" 1 
       302 1 105 VAL MG2 1 106 ALA H   . . 4.810 3.742 2.087 3.986     .  0  0 "[    .    1    .    2]" 1 
       303 1 106 ALA H   1 107 PHE H   . . 2.880 2.481 2.386 2.561     .  0  0 "[    .    1    .    2]" 1 
       304 1 106 ALA H   1 109 SER H   . . 5.160 5.087 4.849 5.334 0.174  1  0 "[    .    1    .    2]" 1 
       305 1 107 PHE H   1 109 SER H   . . 4.080 4.147 3.870 4.253 0.173 16  0 "[    .    1    .    2]" 1 
       306 1 108 PHE H   1 109 SER H   . . 2.990 2.691 2.583 2.782     .  0  0 "[    .    1    .    2]" 1 
       307 1 108 PHE H   1 110 PHE H   . . 4.000 4.198 4.124 4.317 0.317 11  0 "[    .    1    .    2]" 1 
       308 1 109 SER H   1 110 PHE H   . . 3.020 2.544 2.417 2.704     .  0  0 "[    .    1    .    2]" 1 
       309 1 109 SER H   1 111 GLY H   . . 3.970 4.131 3.959 4.281 0.311 14  0 "[    .    1    .    2]" 1 
       310 1 109 SER H   1 112 GLY H   . . 4.880 4.597 4.271 4.802     .  0  0 "[    .    1    .    2]" 1 
       311 1 110 PHE H   1 111 GLY H   . . 2.850 2.630 2.547 2.736     .  0  0 "[    .    1    .    2]" 1 
       312 1 110 PHE H   1 112 GLY H   . . 3.870 4.051 3.969 4.140 0.270  5  0 "[    .    1    .    2]" 1 
       313 1 110 PHE H   1 113 ALA H   . . 4.500 4.706 4.486 4.849 0.349 17  0 "[    .    1    .    2]" 1 
       314 1 111 GLY H   1 112 GLY H   . . 2.850 2.614 2.559 2.675     .  0  0 "[    .    1    .    2]" 1 
       315 1 111 GLY H   1 113 ALA H   . . 3.760 4.188 4.082 4.291 0.531 16  3 "[    .    1    .+-  *]" 1 
       316 1 112 GLY H   1 113 ALA H   . . 2.960 2.700 2.619 2.748     .  0  0 "[    .    1    .    2]" 1 
       317 1 112 GLY H   1 114 LEU H   . . 4.740 4.350 4.053 4.532     .  0  0 "[    .    1    .    2]" 1 
       318 1 113 ALA H   1 114 LEU H   . . 2.710 2.710 2.600 2.826 0.116 17  0 "[    .    1    .    2]" 1 
       319 1 113 ALA H   1 116 VAL QG  . . 5.500 4.409 3.876 4.866     .  0  0 "[    .    1    .    2]" 1 
       320 1 114 LEU H   1 114 LEU MD1 . . 5.500 3.788 2.680 4.338     .  0  0 "[    .    1    .    2]" 1 
       321 1 114 LEU H   1 114 LEU MD2 . . 5.500 3.734 3.135 4.412     .  0  0 "[    .    1    .    2]" 1 
       322 1 114 LEU H   1 115 CYS H   . . 2.850 2.693 2.562 2.806     .  0  0 "[    .    1    .    2]" 1 
       323 1 114 LEU H   1 116 VAL QG  . . 5.500 4.818 4.013 5.246     .  0  0 "[    .    1    .    2]" 1 
       324 1 114 LEU H   1 130 ILE MD  . . 5.500 4.917 3.861 5.958 0.458 11  0 "[    .    1    .    2]" 1 
       325 1 114 LEU QD  1 130 ILE MD  . . 3.380 2.343 1.764 3.379     .  0  0 "[    .    1    .    2]" 1 
       326 1 114 LEU MD1 1 115 CYS H   . . 5.500 4.447 2.391 5.015     .  0  0 "[    .    1    .    2]" 1 
       327 1 114 LEU MD2 1 115 CYS H   . . 5.500 4.259 2.389 4.881     .  0  0 "[    .    1    .    2]" 1 
       328 1 115 CYS H   1 116 VAL H   . . 2.780 2.682 2.547 2.859 0.079 10  0 "[    .    1    .    2]" 1 
       329 1 115 CYS H   1 130 ILE MD  . . 4.540 3.739 2.980 4.635 0.095 17  0 "[    .    1    .    2]" 1 
       330 1 116 VAL H   1 117 GLU H   . . 2.640 2.683 2.560 2.838 0.198 17  0 "[    .    1    .    2]" 1 
       331 1 116 VAL H   1 118 SER H   . . 3.900 4.130 3.971 4.290 0.390 14  0 "[    .    1    .    2]" 1 
       332 1 116 VAL H   1 126 LEU QD  . . 6.000 6.583 6.235 6.820 0.820  6 15 "[* ***+*-*1****.* **2]" 1 
       333 1 116 VAL H   1 130 ILE MD  . . 5.500 5.484 4.816 6.071 0.571 17  4 "[   *.  -*1    . +  2]" 1 
       334 1 116 VAL QG  1 117 GLU H   . . 5.500 2.966 2.164 3.429     .  0  0 "[    .    1    .    2]" 1 
       335 1 116 VAL QG  1 118 SER H   . . 5.500 4.496 4.137 4.751     .  0  0 "[    .    1    .    2]" 1 
       336 1 116 VAL QG  1 119 VAL H   . . 5.500 4.487 4.265 4.784     .  0  0 "[    .    1    .    2]" 1 
       337 1 117 GLU H   1 118 SER H   . . 2.850 2.631 2.530 2.751     .  0  0 "[    .    1    .    2]" 1 
       338 1 117 GLU H   1 119 VAL H   . . 4.000 4.285 4.164 4.437 0.437 13  0 "[    .    1    .    2]" 1 
       339 1 118 SER H   1 119 VAL H   . . 3.170 2.663 2.523 2.773     .  0  0 "[    .    1    .    2]" 1 
       340 1 118 SER H   1 120 ASP H   . . 4.000 4.151 3.981 4.271 0.271 17  0 "[    .    1    .    2]" 1 
       341 1 118 SER H   1 130 ILE MD  . . 5.130 5.038 4.594 5.204 0.074  3  0 "[    .    1    .    2]" 1 
       342 1 119 VAL H   1 120 ASP H   . . 2.920 2.753 2.495 2.884     .  0  0 "[    .    1    .    2]" 1 
       343 1 119 VAL H   1 121 LYS H   . . 3.830 4.075 3.923 4.290 0.460 18  0 "[    .    1    .    2]" 1 
       344 1 119 VAL H   1 122 GLU H   . . 5.110 5.151 4.508 5.445 0.335  4  0 "[    .    1    .    2]" 1 
       345 1 119 VAL QG  1 122 GLU H   . . 5.290 4.269 3.770 4.705     .  0  0 "[    .    1    .    2]" 1 
       346 1 119 VAL QG  1 127 VAL QG  . . 3.120 2.533 1.775 3.314 0.194 17  0 "[    .    1    .    2]" 1 
       347 1 119 VAL MG1 1 120 ASP H   . . 5.340 3.287 2.090 4.068     .  0  0 "[    .    1    .    2]" 1 
       348 1 119 VAL MG1 1 121 LYS H   . . 5.500 4.819 4.151 5.331     .  0  0 "[    .    1    .    2]" 1 
       349 1 119 VAL MG2 1 120 ASP H   . . 5.340 3.621 2.140 4.091     .  0  0 "[    .    1    .    2]" 1 
       350 1 119 VAL MG2 1 121 LYS H   . . 5.500 5.031 4.154 5.347     .  0  0 "[    .    1    .    2]" 1 
       351 1 120 ASP H   1 121 LYS H   . . 2.880 2.604 2.490 2.780     .  0  0 "[    .    1    .    2]" 1 
       352 1 120 ASP H   1 122 GLU H   . . 3.940 4.093 3.898 4.221 0.281  4  0 "[    .    1    .    2]" 1 
       353 1 121 LYS H   1 122 GLU H   . . 2.990 2.544 2.222 2.746     .  0  0 "[    .    1    .    2]" 1 
       354 1 121 LYS H   1 124 GLN H   . . 5.200 5.161 4.380 5.395 0.195 13  0 "[    .    1    .    2]" 1 
       355 1 122 GLU H   1 124 GLN H   . . 4.600 4.196 4.088 4.393     .  0  0 "[    .    1    .    2]" 1 
       356 1 124 GLN H   1 125 VAL H   . . 2.960 2.809 2.519 3.257 0.297 17  0 "[    .    1    .    2]" 1 
       357 1 124 GLN H   1 125 VAL QG  . . 5.300 4.254 3.542 5.281     .  0  0 "[    .    1    .    2]" 1 
       358 1 124 GLN H   1 126 LEU H   . . 4.180 4.345 3.733 4.629 0.449 10  0 "[    .    1    .    2]" 1 
       359 1 124 GLN H   1 127 VAL QG  . . 5.290 4.257 3.740 5.149     .  0  0 "[    .    1    .    2]" 1 
       360 1 125 VAL H   1 125 VAL MG1 . . 4.110 2.781 1.963 3.974     .  0  0 "[    .    1    .    2]" 1 
       361 1 125 VAL H   1 125 VAL QG  . . 3.560 2.491 1.860 3.356     .  0  0 "[    .    1    .    2]" 1 
       362 1 125 VAL H   1 125 VAL MG2 . . 4.110 3.394 2.026 4.100     .  0  0 "[    .    1    .    2]" 1 
       363 1 125 VAL H   1 126 LEU H   . . 2.920 2.712 1.769 2.880     .  0  0 "[    .    1    .    2]" 1 
       364 1 125 VAL H   1 127 VAL H   . . 4.390 4.145 3.639 4.770 0.380 12  0 "[    .    1    .    2]" 1 
       365 1 125 VAL H   1 127 VAL QG  . . 5.290 4.248 3.328 4.682     .  0  0 "[    .    1    .    2]" 1 
       366 1 125 VAL QG  1 126 LEU H   . . 3.700 2.883 2.419 3.813 0.113 12  0 "[    .    1    .    2]" 1 
       367 1 125 VAL QG  1 126 LEU QD  . . 3.360 3.869 2.995 4.246 0.886  6 12 "[  * *+*  1**-*.* ***]" 1 
       368 1 125 VAL MG1 1 126 LEU H   . . 4.290 3.262 2.441 4.377 0.087 12  0 "[    .    1    .    2]" 1 
       369 1 125 VAL MG2 1 126 LEU H   . . 4.290 3.873 2.445 4.437 0.147  9  0 "[    .    1    .    2]" 1 
       370 1 126 LEU H   1 126 LEU QD  . . 4.770 2.864 1.993 3.677     .  0  0 "[    .    1    .    2]" 1 
       371 1 126 LEU H   1 127 VAL H   . . 2.850 2.352 2.093 2.953 0.103  9  0 "[    .    1    .    2]" 1 
       372 1 126 LEU H   1 127 VAL QG  . . 4.630 3.542 3.053 4.303     .  0  0 "[    .    1    .    2]" 1 
       373 1 126 LEU H   1 128 SER H   . . 4.080 4.224 3.712 4.633 0.553 19  1 "[    .    1    .   +2]" 1 
       374 1 126 LEU H   1 129 ARG H   . . 4.950 4.938 4.356 5.182 0.232 10  0 "[    .    1    .    2]" 1 
       375 1 126 LEU QD  1 127 VAL H   . . 5.260 2.733 2.015 3.595     .  0  0 "[    .    1    .    2]" 1 
       376 1 126 LEU QD  1 127 VAL QG  . . 3.250 2.762 1.974 3.731 0.481 17  0 "[    .    1    .    2]" 1 
       377 1 126 LEU QD  1 129 ARG H   . . 5.260 4.357 3.320 5.247     .  0  0 "[    .    1    .    2]" 1 
       378 1 126 LEU QD  1 130 ILE MD  . . 3.520 2.275 1.894 3.906 0.386 12  0 "[    .    1    .    2]" 1 
       379 1 127 VAL H   1 127 VAL QG  . . 3.620 2.078 1.780 2.899     .  0  0 "[    .    1    .    2]" 1 
       380 1 127 VAL H   1 128 SER H   . . 3.270 2.842 2.701 2.981     .  0  0 "[    .    1    .    2]" 1 
       381 1 127 VAL H   1 129 ARG H   . . 4.040 4.108 4.014 4.243 0.203 17  0 "[    .    1    .    2]" 1 
       382 1 127 VAL QG  1 130 ILE MD  . . 3.140 2.701 2.248 3.240 0.100 12  0 "[    .    1    .    2]" 1 
       383 1 127 VAL QG  1 131 ALA H   . . 5.290 3.955 3.622 4.605     .  0  0 "[    .    1    .    2]" 1 
       384 1 127 VAL MG1 1 128 SER H   . . 5.340 3.349 2.050 4.121     .  0  0 "[    .    1    .    2]" 1 
       385 1 127 VAL MG2 1 128 SER H   . . 5.340 3.549 1.848 4.193     .  0  0 "[    .    1    .    2]" 1 
       386 1 128 SER H   1 129 ARG H   . . 3.100 2.661 2.562 2.787     .  0  0 "[    .    1    .    2]" 1 
       387 1 128 SER H   1 130 ILE H   . . 4.000 4.427 4.295 4.529 0.529 19  5 "[*   .    1 *  -*  +2]" 1 
       388 1 128 SER H   1 131 ALA H   . . 4.810 4.776 4.710 4.900 0.090 16  0 "[    .    1    .    2]" 1 
       389 1 129 ARG H   1 130 ILE H   . . 2.810 2.540 2.451 2.646     .  0  0 "[    .    1    .    2]" 1 
       390 1 129 ARG H   1 130 ILE MD  . . 5.500 4.900 3.936 5.193     .  0  0 "[    .    1    .    2]" 1 
       391 1 129 ARG H   1 131 ALA H   . . 3.830 3.886 3.767 4.011 0.181 17  0 "[    .    1    .    2]" 1 
       392 1 129 ARG H   1 132 ALA H   . . 4.990 4.544 4.440 4.694     .  0  0 "[    .    1    .    2]" 1 
       393 1 130 ILE H   1 130 ILE MD  . . 4.540 3.510 2.703 3.788     .  0  0 "[    .    1    .    2]" 1 
       394 1 130 ILE H   1 131 ALA H   . . 3.130 2.696 2.559 2.787     .  0  0 "[    .    1    .    2]" 1 
       395 1 130 ILE H   1 132 ALA H   . . 4.320 4.209 4.011 4.417 0.097  5  0 "[    .    1    .    2]" 1 
       396 1 130 ILE H   1 133 TRP H   . . 5.120 4.678 4.587 4.826     .  0  0 "[    .    1    .    2]" 1 
       397 1 130 ILE MD  1 131 ALA H   . . 5.500 3.820 3.188 4.448     .  0  0 "[    .    1    .    2]" 1 
       398 1 131 ALA H   1 132 ALA H   . . 3.130 2.701 2.633 2.762     .  0  0 "[    .    1    .    2]" 1 
       399 1 131 ALA H   1 133 TRP H   . . 4.210 4.215 4.111 4.348 0.138  9  0 "[    .    1    .    2]" 1 
       400 1 131 ALA H   1 134 MET H   . . 4.990 4.738 4.603 4.856     .  0  0 "[    .    1    .    2]" 1 
       401 1 132 ALA H   1 133 TRP H   . . 2.990 2.646 2.578 2.798     .  0  0 "[    .    1    .    2]" 1 
       402 1 132 ALA H   1 134 MET H   . . 3.940 4.166 4.073 4.264 0.324 14  0 "[    .    1    .    2]" 1 
       403 1 133 TRP H   1 133 TRP HE1 . . 6.500 6.687 5.437 7.115 0.615  4 10 "[** +***  1  * *  -*2]" 1 
       404 1 133 TRP H   1 135 ALA H   . . 4.180 4.254 4.088 4.359 0.179 10  0 "[    .    1    .    2]" 1 
       405 1 133 TRP H   1 136 THR H   . . 4.880 4.649 4.607 4.732     .  0  0 "[    .    1    .    2]" 1 
       406 1 134 MET H   1 135 ALA H   . . 2.990 2.717 2.632 2.779     .  0  0 "[    .    1    .    2]" 1 
       407 1 134 MET H   1 136 THR H   . . 3.690 4.001 3.870 4.110 0.420 10  0 "[    .    1    .    2]" 1 
       408 1 135 ALA H   1 136 THR H   . . 3.020 2.687 2.601 2.836     .  0  0 "[    .    1    .    2]" 1 
       409 1 135 ALA H   1 137 TYR H   . . 4.630 4.771 4.678 4.926 0.296 16  0 "[    .    1    .    2]" 1 
       410 1 135 ALA H   1 138 LEU H   . . 4.740 4.808 4.757 4.841 0.101  7  0 "[    .    1    .    2]" 1 
       411 1 136 THR H   1 137 TYR H   . . 3.380 2.866 2.797 2.934     .  0  0 "[    .    1    .    2]" 1 
       412 1 136 THR H   1 138 LEU H   . . 3.730 3.847 3.759 3.928 0.198  7  0 "[    .    1    .    2]" 1 
       413 1 137 TYR H   1 138 LEU H   . . 3.020 2.717 2.575 2.845     .  0  0 "[    .    1    .    2]" 1 
       414 1 138 LEU H   1 138 LEU QD  . . 4.770 3.669 2.727 3.744     .  0  0 "[    .    1    .    2]" 1 
       415 1 138 LEU H   1 139 ASN H   . . 3.060 3.031 2.958 3.090 0.030 10  0 "[    .    1    .    2]" 1 
       416 1 138 LEU H   1 140 ASP H   . . 4.500 3.785 3.739 3.829     .  0  0 "[    .    1    .    2]" 1 
       417 1 138 LEU H   1 142 LEU QD  . . 5.370 4.609 4.213 5.597 0.227  3  0 "[    .    1    .    2]" 1 
       418 1 138 LEU QD  1 139 ASN H   . . 5.500 2.469 2.251 3.717     .  0  0 "[    .    1    .    2]" 1 
       419 1 138 LEU QD  1 142 LEU H   . . 5.500 4.748 4.388 4.875     .  0  0 "[    .    1    .    2]" 1 
       420 1 138 LEU QD  1 142 LEU QD  . . 3.150 2.376 1.833 3.274 0.124  8  0 "[    .    1    .    2]" 1 
       421 1 138 LEU QD  1 143 GLU H   . . 5.500 3.958 3.454 4.230     .  0  0 "[    .    1    .    2]" 1 
       422 1 138 LEU QD  1 146 ILE MD  . . 4.500 4.785 4.190 4.958 0.458  3  0 "[    .    1    .    2]" 1 
       423 1 138 LEU QD  1 152 TRP HE1 . . 5.310 5.283 4.702 5.548 0.238 14  0 "[    .    1    .    2]" 1 
       424 1 139 ASN H   1 140 ASP H   . . 3.130 2.806 2.700 2.884     .  0  0 "[    .    1    .    2]" 1 
       425 1 139 ASN H   1 141 HIS H   . . 4.110 5.143 5.078 5.205 1.095  6 20  [*****+**********-***]  1 
       426 1 139 ASN H   1 142 LEU H   . . 5.230 5.145 5.064 5.211     .  0  0 "[    .    1    .    2]" 1 
       427 1 139 ASN H   1 143 GLU H   . . 5.540 4.794 4.588 4.966     .  0  0 "[    .    1    .    2]" 1 
       428 1 140 ASP H   1 141 HIS H   . . 3.060 3.056 2.988 3.126 0.066 10  0 "[    .    1    .    2]" 1 
       429 1 140 ASP H   1 142 LEU H   . . 3.660 4.022 3.953 4.128 0.468 17  0 "[    .    1    .    2]" 1 
       430 1 140 ASP H   1 143 GLU H   . . 4.110 4.458 4.378 4.528 0.418 17  0 "[    .    1    .    2]" 1 
       431 1 141 HIS H   1 142 LEU H   . . 3.020 1.871 1.795 1.923     .  0  0 "[    .    1    .    2]" 1 
       432 1 141 HIS H   1 142 LEU MD1 . . 5.500 5.383 4.772 5.825 0.325  3  0 "[    .    1    .    2]" 1 
       433 1 141 HIS H   1 142 LEU MD2 . . 5.500 5.567 4.846 5.898 0.398  7  0 "[    .    1    .    2]" 1 
       434 1 141 HIS H   1 143 GLU H   . . 3.520 3.553 3.479 3.695 0.175 16  0 "[    .    1    .    2]" 1 
       435 1 142 LEU H   1 142 LEU MD1 . . 5.500 4.031 3.580 4.282     .  0  0 "[    .    1    .    2]" 1 
       436 1 142 LEU H   1 142 LEU MD2 . . 5.500 4.116 3.474 4.389     .  0  0 "[    .    1    .    2]" 1 
       437 1 142 LEU H   1 143 GLU H   . . 2.880 2.591 2.513 2.655     .  0  0 "[    .    1    .    2]" 1 
       438 1 142 LEU H   1 145 TRP H   . . 5.200 4.724 4.591 4.789     .  0  0 "[    .    1    .    2]" 1 
       439 1 142 LEU QD  1 145 TRP H   . . 5.370 4.545 4.177 4.915     .  0  0 "[    .    1    .    2]" 1 
       440 1 142 LEU QD  1 146 ILE MD  . . 3.810 2.316 1.922 3.277     .  0  0 "[    .    1    .    2]" 1 
       441 1 142 LEU MD1 1 143 GLU H   . . 5.500 4.676 3.642 5.009     .  0  0 "[    .    1    .    2]" 1 
       442 1 142 LEU MD2 1 143 GLU H   . . 5.500 4.484 4.020 4.933     .  0  0 "[    .    1    .    2]" 1 
       443 1 143 GLU H   1 145 TRP H   . . 4.570 3.781 3.692 3.830     .  0  0 "[    .    1    .    2]" 1 
       444 1 143 GLU H   1 146 ILE MD  . . 5.410 5.077 4.884 5.776 0.366 12  0 "[    .    1    .    2]" 1 
       445 1 145 TRP H   1 145 TRP HE1 . . 6.000 5.601 5.334 5.942     .  0  0 "[    .    1    .    2]" 1 
       446 1 145 TRP H   1 146 ILE H   . . 2.850 2.964 2.916 3.035 0.185  9  0 "[    .    1    .    2]" 1 
       447 1 145 TRP H   1 146 ILE MD  . . 5.500 4.115 3.835 5.353     .  0  0 "[    .    1    .    2]" 1 
       448 1 145 TRP H   1 147 GLN H   . . 3.840 3.981 3.903 4.021 0.181 13  0 "[    .    1    .    2]" 1 
       449 1 145 TRP H   1 148 GLU H   . . 5.000 4.397 4.283 4.497     .  0  0 "[    .    1    .    2]" 1 
       450 1 146 ILE H   1 146 ILE MD  . . 4.920 2.080 1.940 3.186     .  0  0 "[    .    1    .    2]" 1 
       451 1 146 ILE H   1 147 GLN H   . . 2.800 1.794 1.752 1.841     .  0  0 "[    .    1    .    2]" 1 
       452 1 146 ILE H   1 148 GLU H   . . 4.500 3.280 3.180 3.388     .  0  0 "[    .    1    .    2]" 1 
       453 1 146 ILE MD  1 147 GLN H   . . 5.500 1.962 1.847 2.618     .  0  0 "[    .    1    .    2]" 1 
       454 1 146 ILE MD  1 152 TRP H   . . 5.500 6.366 5.613 7.191 1.691  3 18 "[**+***** -* ********]" 1 
       455 1 147 GLN H   1 148 GLU H   . . 3.200 2.576 2.504 2.656     .  0  0 "[    .    1    .    2]" 1 
       456 1 148 GLU H   1 149 ASN H   . . 2.960 3.304 3.191 3.380 0.420  7  0 "[    .    1    .    2]" 1 
       457 1 148 GLU H   1 150 GLY H   . . 4.000 3.984 3.896 4.051 0.051  7  0 "[    .    1    .    2]" 1 
       458 1 148 GLU H   1 151 GLY H   . . 4.530 4.413 4.283 4.528     .  0  0 "[    .    1    .    2]" 1 
       459 1 149 ASN H   1 150 GLY H   . . 2.990 2.049 1.979 2.266     .  0  0 "[    .    1    .    2]" 1 
       460 1 149 ASN H   1 151 GLY H   . . 3.480 3.693 3.604 3.863 0.383  5  0 "[    .    1    .    2]" 1 
       461 1 150 GLY H   1 151 GLY H   . . 2.710 2.556 2.454 2.639     .  0  0 "[    .    1    .    2]" 1 
       462 1 151 GLY H   1 152 TRP H   . . 4.360 2.484 2.234 2.930     .  0  0 "[    .    1    .    2]" 1 
       463 1 151 GLY H   1 154 THR H   . . 4.600 3.434 3.330 3.625     .  0  0 "[    .    1    .    2]" 1 
       464 1 152 TRP H   1 152 TRP HE1 . . 5.340 4.941 4.524 5.329     .  0  0 "[    .    1    .    2]" 1 
       465 1 152 TRP H   1 153 ASP H   . . 2.780 2.768 2.596 2.845 0.065  8  0 "[    .    1    .    2]" 1 
       466 1 152 TRP H   1 154 THR H   . . 3.870 3.957 3.804 4.091 0.221 20  0 "[    .    1    .    2]" 1 
       467 1 152 TRP H   1 155 PHE H   . . 4.920 4.617 4.539 4.721     .  0  0 "[    .    1    .    2]" 1 
       468 1 153 ASP H   1 154 THR H   . . 2.850 2.613 2.502 2.803     .  0  0 "[    .    1    .    2]" 1 
       469 1 153 ASP H   1 155 PHE H   . . 3.830 4.223 4.160 4.318 0.488 17  0 "[    .    1    .    2]" 1 
       470 1 153 ASP H   1 156 VAL H   . . 5.000 4.868 4.790 4.995     .  0  0 "[    .    1    .    2]" 1 
       471 1 153 ASP H   1 156 VAL QG  . . 5.330 4.662 3.856 4.769     .  0  0 "[    .    1    .    2]" 1 
       472 1 154 THR H   1 155 PHE H   . . 2.750 2.574 2.461 2.717     .  0  0 "[    .    1    .    2]" 1 
       473 1 154 THR H   1 156 VAL H   . . 3.790 4.137 4.062 4.254 0.464 11  0 "[    .    1    .    2]" 1 
       474 1 155 PHE H   1 156 VAL H   . . 2.920 2.604 2.534 2.693     .  0  0 "[    .    1    .    2]" 1 
       475 1 155 PHE H   1 156 VAL QG  . . 4.610 4.073 3.504 4.212     .  0  0 "[    .    1    .    2]" 1 
       476 1 155 PHE H   1 157 GLU H   . . 3.660 4.008 3.887 4.166 0.506  5  1 "[    +    1    .    2]" 1 
       477 1 156 VAL H   1 157 GLU H   . . 2.960 2.629 2.567 2.726     .  0  0 "[    .    1    .    2]" 1 
       478 1 156 VAL H   1 158 LEU H   . . 3.870 4.213 3.897 4.484 0.614  4  8 "[** +. *  *   -**   2]" 1 
       479 1 156 VAL H   1 159 TYR H   . . 4.710 4.761 4.601 4.960 0.250 12  0 "[    .    1    .    2]" 1 
       480 1 156 VAL MG1 1 157 GLU H   . . 4.920 3.611 3.415 3.967     .  0  0 "[    .    1    .    2]" 1 
       481 1 156 VAL MG2 1 157 GLU H   . . 4.920 3.887 2.060 4.067     .  0  0 "[    .    1    .    2]" 1 
       482 1 157 GLU H   1 158 LEU H   . . 3.060 2.704 2.573 2.823     .  0  0 "[    .    1    .    2]" 1 
       483 1 157 GLU H   1 159 TYR H   . . 4.180 4.074 3.676 4.429 0.249  8  0 "[    .    1    .    2]" 1 
       484 1 157 GLU H   1 160 GLY H   . . 5.300 4.884 4.552 5.144     .  0  0 "[    .    1    .    2]" 1 
       485 1 158 LEU H   1 158 LEU QD  . . 4.700 3.347 2.358 3.786     .  0  0 "[    .    1    .    2]" 1 
       486 1 158 LEU H   1 159 TYR H   . . 3.130 2.610 2.561 2.685     .  0  0 "[    .    1    .    2]" 1 
       487 1 158 LEU H   1 160 GLY H   . . 3.760 3.855 3.679 3.962 0.202  3  0 "[    .    1    .    2]" 1 
       488 1 158 LEU H   1 161 ASN H   . . 5.020 4.886 3.869 5.170 0.150  5  0 "[    .    1    .    2]" 1 
       489 1 158 LEU QD  1 160 GLY H   . . 5.120 4.753 3.763 5.351 0.231 13  0 "[    .    1    .    2]" 1 
       490 1 158 LEU MD1 1 159 TYR H   . . 5.500 4.639 3.385 5.425     .  0  0 "[    .    1    .    2]" 1 
       491 1 158 LEU MD2 1 159 TYR H   . . 5.500 4.368 2.938 5.468     .  0  0 "[    .    1    .    2]" 1 
       492 1 159 TYR H   1 160 GLY H   . . 2.810 2.571 1.810 2.729     .  0  0 "[    .    1    .    2]" 1 
       493 1 159 TYR H   1 161 ASN H   . . 4.810 4.167 3.266 4.564     .  0  0 "[    .    1    .    2]" 1 
       494 1 162 ASN H   1 163 ALA H   . . 3.970 3.613 1.952 4.094 0.124  3  0 "[    .    1    .    2]" 1 
       495 1 163 ALA H   1 164 ALA H   . . 2.570 2.460 2.223 2.678 0.108 20  0 "[    .    1    .    2]" 1 
       496 1 163 ALA H   1 166 GLU H   . . 4.250 4.338 4.068 4.462 0.212  1  0 "[    .    1    .    2]" 1 
       497 1 164 ALA H   1 165 ALA H   . . 3.170 2.601 2.162 2.860     .  0  0 "[    .    1    .    2]" 1 
       498 1 164 ALA H   1 166 GLU H   . . 4.000 4.035 3.520 4.173 0.173 13  0 "[    .    1    .    2]" 1 
       499 1 165 ALA H   1 166 GLU H   . . 3.480 2.561 2.211 2.924     .  0  0 "[    .    1    .    2]" 1 
       500 1 166 GLU H   1 167 SER H   . . 4.000 2.673 2.495 2.858     .  0  0 "[    .    1    .    2]" 1 
    stop_

save_



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