Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446684 | 2knc RC | 16496 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2knc
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 194
_Stereo_assign_list.Swap_count 4
_Stereo_assign_list.Swap_percentage 2.1
_Stereo_assign_list.Deassign_count 1
_Stereo_assign_list.Deassign_percentage 0.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 15.351
_Stereo_assign_list.Total_e_high_states 461.050
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 6 GLU QB 146 no 100.0 98.9 2.557 2.586 0.029 8 0 no 0.187 0 0
1 6 GLU QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 GLU QB 145 no 100.0 97.1 1.001 1.031 0.030 8 0 no 0.223 0 0
1 7 GLU QG 190 no 100.0 100.0 1.853 1.853 0.001 2 0 no 0.058 0 0
1 8 ARG QB 116 no 70.0 96.9 0.819 0.845 0.026 12 4 no 0.255 0 0
1 8 ARG QD 183 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 8 ARG QG 162 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.011 0 0
1 10 ILE QG 144 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.050 0 0
1 11 PRO QB 35 no 90.0 93.3 0.141 0.151 0.010 28 14 no 0.224 0 0
1 11 PRO QD 19 no 100.0 86.1 1.067 1.239 0.172 32 10 no 0.318 0 0
1 11 PRO QG 105 no 100.0 99.8 2.932 2.937 0.006 14 6 no 0.117 0 0
1 12 ILE QG 108 no 0.0 0.0 0.000 0.090 0.090 12 0 no 0.337 0 0
1 13 TRP QB 29 no 100.0 91.9 2.388 2.598 0.210 30 12 no 0.326 0 0
1 14 TRP QB 1 no 80.0 29.5 0.291 0.986 0.695 56 20 no 0.426 0 0
1 15 VAL QG 18 no 100.0 100.0 0.731 0.731 0.000 32 8 no 0.019 0 0
1 16 LEU QB 28 no 100.0 75.0 1.286 1.715 0.429 30 12 no 0.517 0 6
1 16 LEU QD 66 no 75.0 16.9 0.064 0.376 0.312 20 8 no 0.525 0 10
1 17 VAL QG 31 no 100.0 97.9 0.257 0.263 0.006 28 4 no 0.070 0 0
1 18 GLY QA 53 no 100.0 97.5 7.551 7.748 0.197 24 10 no 0.322 0 0
1 19 VAL QG 23 no 100.0 100.0 1.081 1.081 0.000 30 4 no 0.000 0 0
1 20 LEU QB 40 no 100.0 96.3 1.053 1.094 0.041 26 8 no 0.214 0 0
1 20 LEU QD 81 no 85.0 79.3 0.329 0.415 0.086 18 8 no 0.541 0 6
1 21 GLY QA 50 yes 100.0 85.3 0.690 0.809 0.119 24 8 no 0.242 0 0
1 22 GLY QA 152 yes 100.0 100.0 0.525 0.525 0.000 8 2 no 0.000 0 0
1 23 LEU QB 49 no 50.0 94.2 0.381 0.405 0.024 24 8 no 0.144 0 0
1 23 LEU QD 92 no 60.0 86.3 0.217 0.252 0.035 16 8 no 0.510 0 2
1 24 LEU QB 104 no 100.0 99.9 1.619 1.620 0.001 14 6 no 0.067 0 0
1 24 LEU QD 103 no 100.0 100.0 0.192 0.192 0.000 14 6 no 0.000 0 0
1 25 LEU QB 99 no 100.0 95.2 10.469 10.997 0.529 14 4 no 0.070 0 0
1 25 LEU QD 169 no 85.0 99.6 0.710 0.712 0.003 6 2 no 0.154 0 0
1 26 LEU QB 96 no 100.0 99.4 8.969 9.023 0.054 14 2 no 0.297 0 0
1 26 LEU QD 95 no 85.0 99.9 0.547 0.547 0.000 14 2 no 0.067 0 0
1 28 ILE QG 143 no 100.0 99.7 1.513 1.517 0.005 8 0 no 0.071 0 0
1 29 LEU QB 25 no 90.0 25.6 0.117 0.457 0.340 30 8 no 0.360 0 0
1 29 LEU QD 131 no 100.0 99.7 2.139 2.146 0.006 10 4 no 0.145 0 0
1 30 VAL QG 2 no 100.0 99.6 8.099 8.128 0.029 52 10 no 0.243 0 0
1 31 LEU QB 15 no 100.0 96.8 11.149 11.517 0.368 34 8 no 0.407 0 0
1 31 LEU QD 13 no 90.0 100.0 2.629 2.630 0.000 36 18 no 0.025 0 0
1 33 MET QB 98 no 100.0 83.6 1.275 1.526 0.251 14 4 no 0.505 0 2
1 33 MET QG 6 no 100.0 95.9 5.558 5.798 0.240 40 6 no 0.538 0 2
1 34 TRP QB 11 no 100.0 71.9 0.493 0.686 0.193 36 6 no 0.374 0 0
1 35 LYS QB 8 no 100.0 94.6 5.635 5.957 0.322 38 14 no 0.364 0 0
1 35 LYS QD 42 no 100.0 98.8 4.458 4.512 0.054 26 14 no 0.264 0 0
1 35 LYS QE 122 no 100.0 99.8 6.098 6.112 0.013 12 10 no 0.165 0 0
1 35 LYS QG 45 no 100.0 100.0 0.256 0.256 0.000 24 6 no 0.000 0 0
1 36 VAL QG 4 no 70.0 71.7 0.663 0.924 0.261 46 14 no 0.482 0 0
1 37 GLY QA 10 no 100.0 99.7 2.696 2.705 0.008 38 22 no 0.099 0 0
1 38 PHE QB 44 no 100.0 95.7 7.246 7.569 0.323 24 6 no 0.482 0 0
1 38 PHE QD 168 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 39 PHE QB 16 no 100.0 97.7 4.394 4.499 0.106 34 14 no 0.231 0 0
1 39 PHE QD 174 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 39 PHE QE 182 no 100.0 100.0 39.693 39.706 0.013 4 4 no 0.165 0 0
1 40 LYS QB 21 no 100.0 84.1 1.645 1.955 0.310 32 22 no 0.438 0 0
1 40 LYS QD 91 no 100.0 100.0 0.028 0.028 0.000 16 8 no 0.246 0 0
1 40 LYS QE 134 no 100.0 99.8 1.275 1.278 0.003 10 8 no 0.124 0 0
1 40 LYS QG 75 no 100.0 97.9 2.025 2.068 0.043 18 4 no 0.414 0 0
1 41 ARG QB 60 no 100.0 95.4 5.647 5.917 0.270 20 4 no 0.608 0 4
1 41 ARG QD 130 no 100.0 99.9 2.001 2.003 0.002 10 4 no 0.062 0 0
1 41 ARG QG 74 no 100.0 99.6 15.455 15.517 0.062 18 4 no 0.350 0 0
1 42 ASN QB 90 no 100.0 0.0 0.000 0.128 0.128 16 8 no 0.374 0 0
1 42 ASN QD 159 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 43 ARG QB 155 no 100.0 99.9 0.952 0.953 0.001 8 4 no 0.043 0 0
1 43 ARG QD 106 no 100.0 98.7 7.876 7.980 0.103 14 10 no 0.369 0 0
1 43 ARG QG 167 no 55.0 66.8 0.693 1.038 0.345 6 2 no 0.612 0 12
1 45 PRO QB 121 no 100.0 0.0 0.000 0.002 0.002 12 8 no 0.116 0 0
1 45 PRO QD 82 no 5.0 0.0 0.000 0.338 0.338 18 10 no 0.640 0 10
1 45 PRO QG 166 no 75.0 88.7 0.774 0.872 0.098 6 2 no 0.369 0 0
1 46 LEU QB 89 no 10.0 0.1 0.000 0.080 0.080 16 8 no 0.581 0 4
1 46 LEU QD 120 no 15.0 87.7 0.000 0.000 0.000 12 8 no 0.013 0 0
1 47 GLU QB 165 no 75.0 96.0 1.816 1.892 0.076 6 2 no 0.594 0 4
1 47 GLU QG 179 no 50.0 99.8 0.469 0.470 0.001 4 2 no 0.078 0 0
1 48 GLU QB 142 no 100.0 97.8 0.965 0.986 0.021 8 0 no 0.136 0 0
1 48 GLU QG 178 no 80.0 99.6 0.901 0.905 0.004 4 0 no 0.193 0 0
1 49 ASP QB 177 no 65.0 99.1 0.757 0.763 0.007 4 0 no 0.188 0 0
1 50 ASP QB 141 no 100.0 0.0 0.000 0.025 0.025 8 0 no 0.310 0 0
1 51 GLU QB 140 no 100.0 92.9 1.343 1.445 0.102 8 0 no 0.609 0 2
1 51 GLU QG 189 no 95.0 97.8 0.000 0.000 0.000 2 0 no 0.069 0 0
1 52 GLU QB 161 no 100.0 93.3 1.077 1.155 0.078 6 0 no 0.466 0 0
1 52 GLU QG 188 no 95.0 100.0 1.040 1.040 0.000 2 0 no 0.042 0 0
1 53 GLY QA 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 GLU QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 6 LYS QB 115 no 65.0 99.5 0.666 0.669 0.003 12 4 no 0.124 0 0
2 6 LYS QD 173 no 10.0 81.4 0.007 0.009 0.002 6 4 no 0.129 0 0
2 6 LYS QG 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 7 GLY QA 157 no 100.0 100.0 5.519 5.520 0.001 8 6 no 0.043 0 0
2 8 PRO QB 154 no 60.0 88.5 0.080 0.090 0.010 8 4 no 0.343 0 0
2 8 PRO QD 65 no 100.0 90.4 0.738 0.816 0.078 20 8 no 0.280 0 0
2 8 PRO QG 151 no 75.0 99.3 0.179 0.180 0.001 8 2 no 0.052 0 0
2 9 ASP QB 59 no 100.0 99.2 7.526 7.583 0.057 20 4 no 0.394 0 0
2 10 ILE QG 110 no 10.0 66.0 0.015 0.023 0.008 12 2 no 0.201 0 0
2 11 LEU QB 102 no 100.0 100.0 0.001 0.001 0.000 14 6 no 0.054 0 0
2 11 LEU QD 39 no 100.0 100.0 8.866 8.866 0.000 26 8 no 0.000 0 0
2 12 VAL QG 34 no 100.0 100.0 7.516 7.516 0.000 28 8 no 0.000 0 0
2 13 VAL QG 14 no 100.0 100.0 5.263 5.265 0.002 34 4 no 0.058 0 0
2 14 LEU QB 17 no 100.0 99.3 1.580 1.592 0.012 32 8 no 0.155 0 0
2 14 LEU QD 48 no 95.0 100.0 11.580 11.581 0.001 24 8 no 0.070 0 0
2 15 LEU QB 55 no 80.0 98.5 0.006 0.006 0.000 24 12 no 0.107 0 0
2 15 LEU QD 12 no 65.0 99.6 6.264 6.290 0.026 36 18 no 0.501 0 2
2 16 SER QB 150 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
2 17 VAL QG 3 no 100.0 100.0 7.813 7.815 0.001 48 4 no 0.099 0 0
2 18 MET QB 58 no 55.0 100.0 0.203 0.203 0.000 22 8 no 0.000 0 0
2 18 MET QG 24 no 75.0 99.4 1.207 1.214 0.008 30 8 no 0.149 0 0
2 19 GLY QA 43 no 100.0 95.9 0.004 0.004 0.000 26 20 no 0.088 0 0
2 21 ILE QG 22 no 100.0 98.3 1.118 1.138 0.020 30 4 no 0.163 0 0
2 22 LEU QB 9 no 100.0 98.7 6.480 6.564 0.084 38 20 no 0.261 0 0
2 22 LEU QD 20 no 100.0 100.0 14.873 14.877 0.004 32 14 no 0.088 0 0
2 23 LEU QB 33 no 100.0 98.7 1.828 1.853 0.025 28 8 no 0.141 0 0
2 23 LEU QD 27 no 100.0 100.0 7.035 7.035 0.000 30 12 no 0.014 0 0
2 24 ILE QG 36 no 100.0 99.8 2.642 2.648 0.005 26 2 no 0.096 0 0
2 25 GLY QA 139 no 5.0 100.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 26 LEU QB 73 no 100.0 99.7 4.566 4.581 0.014 18 4 no 0.164 0 0
2 26 LEU QD 117 no 25.0 81.3 0.000 0.000 0.000 12 6 no 0.018 0 0
2 29 LEU QB 47 no 100.0 99.7 5.440 5.454 0.014 24 8 no 0.130 0 0
2 29 LEU QD 57 no 85.0 99.8 8.315 8.333 0.018 22 8 no 0.404 0 0
2 30 LEU QB 87 no 100.0 99.8 3.333 3.340 0.007 16 6 no 0.130 0 0
2 30 LEU QD 153 no 75.0 60.6 0.000 0.000 0.000 8 4 no 0.014 0 0
2 31 ILE QG 138 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 32 TRP QB 30 no 100.0 99.9 3.056 3.061 0.004 28 4 no 0.138 0 0
2 33 LYS QB 72 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.000 0 0
2 33 LYS QE 133 no 100.0 99.5 4.789 4.814 0.025 10 6 no 0.427 0 0
2 33 LYS QG 78 no 95.0 98.7 1.407 1.425 0.018 18 6 no 0.427 0 0
2 34 LEU QB 38 no 100.0 99.9 2.824 2.827 0.003 26 6 no 0.078 0 0
2 34 LEU QD 80 no 85.0 91.0 0.516 0.567 0.051 18 8 no 0.506 0 4
2 35 LEU QB 26 no 100.0 99.3 8.444 8.502 0.058 30 10 no 0.296 0 0
2 35 LEU QD 7 no 35.0 93.1 0.212 0.228 0.016 40 8 no 0.187 0 0
2 36 ILE QG 32 no 100.0 94.3 6.522 6.919 0.396 28 6 no 0.513 0 2
2 38 ILE QG 56 no 100.0 98.6 4.273 4.335 0.062 22 6 no 0.237 0 0
2 39 HIS QB 94 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.000 0 0
2 40 ASP QB 107 no 100.0 99.9 0.244 0.244 0.000 12 0 no 0.041 0 0
2 41 ARG QB 71 no 100.0 97.3 2.094 2.152 0.057 18 4 no 0.195 0 0
2 41 ARG QD 127 no 100.0 96.3 0.972 1.009 0.037 10 2 no 0.195 0 0
2 41 ARG QG 5 no 100.0 98.6 4.729 4.795 0.066 40 6 no 0.237 0 0
2 42 LYS QB 46 no 100.0 77.2 2.021 2.617 0.596 24 8 no 0.508 0 12
2 42 LYS QD 86 no 100.0 99.4 3.740 3.764 0.024 16 4 no 0.109 0 0
2 42 LYS QE 79 no 100.0 98.8 8.792 8.895 0.103 18 8 no 0.238 0 0
2 42 LYS QG 101 no 100.0 97.4 3.323 3.412 0.089 14 6 no 0.188 0 0
2 43 GLU QB 109 no 100.0 100.0 0.424 0.424 0.000 12 2 no 0.000 0 0
2 43 GLU QG 93 no 25.0 100.0 0.271 0.271 0.000 14 0 no 0.000 0 0
2 44 PHE QB 77 no 100.0 100.0 1.004 1.004 0.000 18 6 no 0.000 0 0
2 44 PHE QD 194 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 46 LYS QB 129 yes 100.0 100.0 0.540 0.540 0.000 10 4 no 0.000 0 0
2 46 LYS QD 164 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
2 46 LYS QE 54 no 100.0 97.5 17.866 18.328 0.462 24 12 no 0.504 0 2
2 46 LYS QG 52 no 100.0 93.2 6.129 6.577 0.448 24 10 no 0.503 0 2
2 47 PHE QB 51 no 100.0 99.5 7.689 7.725 0.036 24 10 no 0.221 0 0
2 47 PHE QD 193 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 47 PHE QE 158 yes 95.0 86.8 2.044 2.354 0.310 8 8 no 0.483 0 0
2 48 GLU QB 163 no 35.0 100.0 0.361 0.361 0.000 6 2 no 0.002 0 0
2 48 GLU QG 61 no 75.0 92.3 0.494 0.535 0.041 20 6 no 0.221 0 0
2 49 GLU QB 126 no 60.0 98.8 0.032 0.032 0.000 10 2 no 0.044 0 0
2 49 GLU QG 124 no 25.0 99.4 0.009 0.009 0.000 10 0 no 0.017 0 0
2 50 GLU QB 70 no 100.0 100.0 1.006 1.006 0.000 18 4 no 0.000 0 0
2 50 GLU QG 76 no 80.0 100.0 0.688 0.688 0.000 18 6 no 0.026 0 0
2 51 ARG QB 41 no 100.0 97.6 2.663 2.728 0.065 26 10 no 0.310 0 0
2 51 ARG QD 67 no 95.0 0.0 0.000 2.398 2.398 20 12 yes 1.692 2 2
2 51 ARG QG 37 no 100.0 99.3 0.631 0.636 0.004 26 6 no 0.483 0 0
2 53 ARG QB 85 no 95.0 93.7 0.864 0.922 0.058 16 4 no 0.623 0 2
2 53 ARG QD 172 no 100.0 99.9 3.000 3.002 0.002 6 4 no 0.056 0 0
2 53 ARG QG 69 no 95.0 99.5 0.898 0.902 0.004 18 0 no 0.157 0 0
2 55 LYS QB 114 no 95.0 91.0 1.724 1.895 0.171 12 4 no 0.334 0 0
2 55 LYS QD 149 no 20.0 70.6 0.340 0.482 0.141 8 2 no 0.334 0 0
2 55 LYS QE 132 no 100.0 92.1 1.402 1.522 0.120 10 6 no 0.277 0 0
2 55 LYS QG 84 no 80.0 38.1 0.096 0.253 0.156 16 4 no 0.321 0 0
2 56 TRP QB 68 no 100.0 88.1 1.329 1.509 0.180 18 0 no 0.318 0 0
2 57 ASP QB 137 no 100.0 99.5 0.552 0.554 0.003 8 0 no 0.108 0 0
2 60 ASN QB 88 no 90.0 89.3 0.891 0.998 0.107 16 8 no 0.455 0 0
2 60 ASN QD 64 no 100.0 0.0 0.000 0.015 0.015 20 8 no 0.189 0 0
2 61 ASN QB 63 no 50.0 44.7 0.043 0.095 0.053 20 8 no 0.604 0 2
2 61 ASN QD 119 no 100.0 99.4 0.520 0.524 0.003 12 8 no 0.105 0 0
2 62 PRO QB 118 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
2 62 PRO QD 62 no 100.0 99.8 2.417 2.422 0.006 20 8 no 0.122 0 0
2 62 PRO QG 160 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 63 LEU QB 113 no 80.0 85.4 0.967 1.132 0.165 12 4 no 0.557 0 6
2 63 LEU QD 97 no 65.0 0.4 0.000 0.004 0.004 14 4 no 0.104 0 0
2 64 TYR QB 112 no 100.0 0.0 0.000 0.160 0.160 12 4 no 0.337 0 0
2 64 TYR QD 181 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 65 LYS QB 148 no 100.0 100.0 2.279 2.280 0.001 8 2 no 0.077 0 0
2 65 LYS QD 147 no 95.0 100.0 0.719 0.719 0.000 8 2 no 0.023 0 0
2 65 LYS QE 171 no 15.0 74.8 0.000 0.000 0.000 6 4 no 0.017 0 0
2 65 LYS QG 83 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
2 66 GLU QB 136 no 55.0 50.4 0.187 0.370 0.184 8 0 no 0.531 0 4
2 66 GLU QG 175 no 90.0 94.4 1.362 1.443 0.081 4 0 no 0.473 0 0
2 69 SER QB 135 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 71 PHE QB 125 no 80.0 92.1 0.955 1.037 0.082 10 2 no 0.572 0 2
2 71 PHE QD 192 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 73 ASN QB 100 no 10.0 0.0 0.000 0.042 0.042 14 6 no 0.553 0 2
2 73 ASN QD 156 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
2 74 ILE QG 123 no 100.0 0.0 0.000 0.015 0.015 10 0 no 0.161 0 0
2 76 TYR QB 111 no 95.0 0.0 0.000 0.077 0.077 12 4 no 0.583 0 4
2 76 TYR QD 170 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 77 ARG QB 128 no 100.0 99.4 1.372 1.380 0.009 10 4 no 0.217 0 0
2 77 ARG QD 180 no 100.0 99.8 2.241 2.244 0.003 4 4 no 0.106 0 0
2 77 ARG QG 185 no 55.0 100.0 0.496 0.496 0.000 2 0 no 0.029 0 0
2 78 GLY QA 184 no 15.0 82.2 0.001 0.001 0.000 2 0 no 0.044 0 0
stop_
save_