NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445573 |
2kk1   |
16349 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2kk1
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 189
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 0.081
_Stereo_assign_list.Total_e_high_states 333.195
_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 8 HIS QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 SER QB 146 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 10 HIS QB 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 11 MET QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 MET QG 145 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 13 ASN QB 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 13 ASN QD 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.025 0 0
1 17 GLY QA 164 no 80.0 99.1 0.242 0.244 0.002 4 0 no 0.174 0 0
1 19 LYS QB 113 no 100.0 100.0 0.602 0.602 0.000 9 0 no 0.002 0 0
1 19 LYS QD 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 19 LYS QG 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 VAL QG 144 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 22 LEU QB 174 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 22 LEU QD 110 no 100.0 100.0 0.182 0.182 0.000 10 4 no 0.000 0 0
1 23 ARG QB 143 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.032 0 0
1 23 ARG QD 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 ARG QG 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 LYS QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.033 0 0
1 24 LYS QD 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.043 0 0
1 24 LYS QG 142 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.172 0 0
1 26 LYS QB 103 no 100.0 99.0 1.131 1.142 0.011 10 1 no 0.320 0 0
1 26 LYS QD 171 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.038 0 0
1 26 LYS QE 141 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.052 0 0
1 26 LYS QG 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 GLN QB 89 no 90.0 100.0 0.011 0.011 0.000 13 5 no 0.000 0 0
1 27 GLN QE 189 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 27 GLN QG 82 no 100.0 99.8 0.554 0.555 0.001 14 4 no 0.103 0 0
1 30 GLU QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 GLU QG 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 LYS QB 140 no 100.0 0.0 0.000 0.008 0.008 6 0 no 0.282 0 0
1 31 LYS QD 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 LYS QE 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 LYS QG 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 32 ILE QG 27 no 100.0 100.0 0.785 0.785 0.000 29 10 no 0.038 0 0
1 33 SER QB 92 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 35 ASP QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 LYS QB 52 no 95.0 100.0 0.315 0.315 0.000 19 7 no 0.000 0 0
1 36 LYS QD 87 no 95.0 100.0 0.787 0.788 0.000 13 2 no 0.046 0 0
1 36 LYS QE 188 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 36 LYS QG 121 no 65.0 99.6 0.017 0.017 0.000 8 0 no 0.036 0 0
1 37 ILE QG 47 no 100.0 100.0 0.261 0.261 0.000 20 1 no 0.019 0 0
1 38 SER QB 63 no 90.0 100.0 0.327 0.327 0.000 17 0 no 0.000 0 0
1 39 LYS QB 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 39 LYS QD 154 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 39 LYS QE 124 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.015 0 0
1 39 LYS QG 173 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 40 GLU QB 137 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 40 GLU QG 120 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 42 LEU QB 64 no 100.0 100.0 0.657 0.657 0.000 17 6 no 0.000 0 0
1 42 LEU QD 3 no 100.0 100.0 13.597 13.598 0.001 76 25 no 0.060 0 0
1 43 LEU QB 128 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 43 LEU QD 5 no 100.0 100.0 10.563 10.563 0.000 62 27 no 0.015 0 0
1 44 GLU QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 44 GLU QG 91 no 20.0 100.0 0.003 0.003 0.000 12 0 no 0.000 0 0
1 45 CYS QB 97 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 47 ASP QB 88 no 50.0 100.0 0.003 0.003 0.000 13 3 no 0.000 0 0
1 48 LEU QB 71 no 25.0 99.9 0.011 0.011 0.000 16 5 no 0.015 0 0
1 48 LEU QD 76 no 100.0 99.9 4.743 4.749 0.006 15 4 no 0.131 0 0
1 49 LEU QB 60 no 70.0 99.7 0.007 0.007 0.000 18 7 no 0.021 0 0
1 49 LEU QD 16 no 100.0 100.0 2.811 2.811 0.000 43 16 no 0.061 0 0
1 50 SER QB 150 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 51 SER QB 136 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.049 0 0
1 53 LEU QB 109 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 53 LEU QD 22 no 100.0 100.0 9.005 9.005 0.000 37 10 no 0.032 0 0
1 55 GLU QB 126 no 95.0 100.0 0.075 0.075 0.000 8 3 no 0.002 0 0
1 55 GLU QG 84 no 100.0 100.0 0.287 0.287 0.000 14 6 no 0.000 0 0
1 56 PRO QD 102 no 30.0 100.0 0.017 0.017 0.000 11 8 no 0.002 0 0
1 57 VAL QG 18 no 100.0 100.0 5.463 5.465 0.001 42 21 no 0.064 0 0
1 58 PRO QB 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 58 PRO QD 101 no 80.0 100.0 0.720 0.720 0.000 11 6 no 0.000 0 0
1 58 PRO QG 131 no 100.0 99.8 0.724 0.725 0.001 7 2 no 0.105 0 0
1 59 ASN QB 96 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.015 0 0
1 59 ASN QD 170 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 60 SER QB 169 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 61 GLN QB 116 no 95.0 100.0 0.535 0.535 0.000 9 6 no 0.014 0 0
1 61 GLN QE 153 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.057 0 0
1 61 GLN QG 123 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 62 LEU QB 49 no 50.0 100.0 0.124 0.124 0.000 20 13 no 0.000 0 0
1 62 LEU QD 19 no 100.0 100.0 8.421 8.421 0.000 41 13 no 0.023 0 0
1 63 VAL QG 9 no 100.0 100.0 17.094 17.094 0.000 56 31 no 0.040 0 0
1 64 ASP QB 70 no 100.0 100.0 0.476 0.476 0.000 16 5 no 0.022 0 0
1 66 GLY QA 31 no 100.0 99.9 0.354 0.354 0.000 28 13 no 0.061 0 0
1 67 HIS QB 85 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 68 GLN QB 26 no 30.0 99.4 0.006 0.006 0.000 29 10 no 0.024 0 0
1 68 GLN QE 83 no 90.0 99.9 0.049 0.049 0.000 14 5 no 0.024 0 0
1 68 GLN QG 32 no 80.0 100.0 0.224 0.224 0.000 27 7 no 0.028 0 0
1 69 LEU QB 29 no 100.0 99.9 0.601 0.602 0.001 29 19 no 0.057 0 0
1 69 LEU QD 6 no 100.0 100.0 9.382 9.383 0.001 61 24 no 0.065 0 0
1 70 LEU QB 36 no 100.0 100.0 0.858 0.858 0.000 24 11 no 0.020 0 0
1 70 LEU QD 12 no 100.0 99.9 3.564 3.568 0.004 52 21 no 0.101 0 0
1 71 ASP QB 95 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 72 TYR QB 48 no 75.0 100.0 0.095 0.095 0.000 20 6 no 0.000 0 0
1 73 CYS QB 28 no 100.0 100.0 0.693 0.693 0.000 29 18 no 0.011 0 0
1 74 SER QB 152 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 75 GLY QA 130 no 85.0 100.0 0.468 0.468 0.000 7 2 no 0.000 0 0
1 76 TYR QB 35 no 100.0 100.0 0.101 0.101 0.000 25 7 no 0.001 0 0
1 77 VAL QG 2 no 100.0 100.0 26.030 26.036 0.005 78 26 no 0.146 0 0
1 78 ASP QB 149 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 79 CYS QB 104 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.010 0 0
1 80 ILE QG 39 no 95.0 100.0 0.055 0.055 0.000 23 6 no 0.000 0 0
1 81 PRO QB 134 no 75.0 100.0 0.522 0.522 0.000 6 0 no 0.025 0 0
1 81 PRO QD 100 no 15.0 100.0 0.049 0.049 0.000 11 4 no 0.000 0 0
1 81 PRO QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 GLN QB 98 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.132 0 0
1 82 GLN QG 122 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 84 ARG QB 68 no 100.0 100.0 1.300 1.300 0.000 16 2 no 0.013 0 0
1 84 ARG QD 119 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 84 ARG QG 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 ASN QB 53 no 100.0 100.0 1.434 1.434 0.000 19 8 no 0.032 0 0
1 85 ASN QD 34 no 55.0 96.6 0.040 0.041 0.001 27 13 no 0.132 0 0
1 86 LYS QB 24 no 100.0 99.7 1.529 1.533 0.004 31 7 no 0.242 0 0
1 86 LYS QD 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 86 LYS QE 168 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 86 LYS QG 94 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.027 0 0
1 87 PHE QB 78 no 100.0 99.8 1.291 1.293 0.002 15 5 no 0.107 0 0
1 89 PHE QB 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 90 ARG QB 148 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 90 ARG QD 151 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.017 0 0
1 90 ARG QG 42 no 100.0 99.9 1.104 1.104 0.001 22 6 no 0.078 0 0
1 91 GLU QB 86 no 100.0 99.9 2.378 2.380 0.002 13 1 no 0.107 0 0
1 91 GLU QG 43 no 100.0 100.0 1.143 1.144 0.000 21 2 no 0.083 0 0
1 93 VAL QG 1 no 100.0 100.0 19.787 19.790 0.003 82 28 no 0.101 0 0
1 95 LYS QB 75 no 10.0 100.0 0.001 0.001 0.000 15 4 no 0.000 0 0
1 95 LYS QD 69 no 100.0 0.0 0.000 0.001 0.001 16 4 no 0.093 0 0
1 95 LYS QE 118 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.069 0 0
1 95 LYS QG 167 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 96 LEU QB 112 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 96 LEU QD 13 no 100.0 100.0 16.611 16.611 0.000 49 18 no 0.009 0 0
1 97 GLU QB 56 no 100.0 99.9 0.688 0.689 0.001 19 10 no 0.057 0 0
1 97 GLU QG 46 no 100.0 99.9 0.536 0.537 0.000 21 10 no 0.057 0 0
1 98 LEU QB 93 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.029 0 0
1 98 LEU QD 127 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 99 SER QB 108 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 100 LEU QB 38 no 100.0 100.0 1.144 1.144 0.000 24 13 no 0.000 0 0
1 100 LEU QD 11 no 100.0 100.0 16.364 16.368 0.004 53 21 no 0.083 0 0
1 101 GLN QB 80 no 100.0 100.0 0.064 0.064 0.000 15 9 no 0.000 0 0
1 101 GLN QE 73 no 100.0 100.0 0.541 0.541 0.000 16 10 no 0.000 0 0
1 101 GLN QG 41 no 100.0 100.0 0.651 0.651 0.000 23 10 no 0.014 0 0
1 102 GLU QB 99 no 100.0 100.0 0.108 0.108 0.000 11 4 no 0.000 0 0
1 102 GLU QG 77 no 100.0 100.0 0.427 0.427 0.000 15 5 no 0.034 0 0
1 103 LEU QB 45 no 100.0 100.0 1.156 1.156 0.000 21 10 no 0.012 0 0
1 103 LEU QD 10 no 100.0 100.0 15.188 15.188 0.001 55 18 no 0.061 0 0
1 104 GLN QB 57 no 100.0 100.0 1.871 1.871 0.000 19 14 no 0.013 0 0
1 104 GLN QE 62 no 15.0 100.0 0.001 0.001 0.000 18 13 no 0.000 0 0
1 104 GLN QG 65 no 100.0 100.0 0.286 0.286 0.000 17 9 no 0.040 0 0
1 105 VAL QG 23 no 100.0 100.0 7.535 7.535 0.000 36 18 no 0.014 0 0
1 106 SER QB 147 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 107 SER QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 111 GLY QA 114 no 100.0 99.8 0.597 0.598 0.001 9 2 no 0.101 0 0
1 112 VAL QG 30 no 100.0 100.0 11.135 11.135 0.000 28 9 no 0.053 0 0
1 113 PRO QB 125 no 100.0 0.0 0.000 0.000 0.000 8 3 no 0.000 0 0
1 113 PRO QD 74 no 100.0 100.0 0.183 0.183 0.000 15 4 no 0.004 0 0
1 113 PRO QG 129 no 100.0 100.0 0.455 0.455 0.000 7 2 no 0.005 0 0
1 114 GLY QA 79 no 75.0 100.0 0.043 0.043 0.000 15 6 no 0.000 0 0
1 116 ASN QB 50 no 100.0 0.0 0.000 0.000 0.000 20 14 no 0.044 0 0
1 116 ASN QD 107 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 117 PRO QB 115 no 100.0 100.0 0.847 0.847 0.000 9 3 no 0.000 0 0
1 117 PRO QD 106 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 117 PRO QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 118 VAL QG 8 no 100.0 100.0 6.812 6.812 0.000 56 25 no 0.034 0 0
1 119 LEU QB 37 no 100.0 100.0 1.152 1.152 0.000 24 12 no 0.045 0 0
1 119 LEU QD 14 no 100.0 100.0 13.062 13.063 0.000 46 15 no 0.044 0 0
1 120 ASN QB 172 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 120 ASN QD 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 121 ASN QB 40 no 100.0 100.0 1.819 1.819 0.000 23 9 no 0.023 0 0
1 121 ASN QD 66 no 35.0 100.0 0.162 0.162 0.000 17 10 no 0.013 0 0
1 122 LEU QB 90 no 100.0 100.0 0.170 0.170 0.000 13 6 no 0.000 0 0
1 122 LEU QD 20 no 100.0 100.0 5.318 5.321 0.002 40 18 no 0.083 0 0
1 123 LEU QB 72 no 100.0 100.0 0.137 0.137 0.000 16 6 no 0.001 0 0
1 123 LEU QD 21 no 100.0 100.0 9.555 9.556 0.000 39 17 no 0.026 0 0
1 124 SER QB 132 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 125 CYS QB 17 no 100.0 100.0 1.854 1.854 0.000 42 19 no 0.000 0 0
1 126 VAL QG 15 no 100.0 100.0 19.054 19.055 0.000 43 12 no 0.030 0 0
1 127 GLN QB 59 no 100.0 100.0 1.271 1.271 0.000 18 7 no 0.019 0 0
1 127 GLN QE 61 no 50.0 100.0 0.191 0.191 0.000 18 10 no 0.026 0 0
1 127 GLN QG 55 no 55.0 100.0 0.060 0.060 0.000 19 9 no 0.000 0 0
1 128 GLU QB 58 no 100.0 100.0 1.073 1.073 0.000 18 5 no 0.036 0 0
1 128 GLU QG 44 no 100.0 100.0 0.392 0.392 0.000 21 3 no 0.006 0 0
1 129 ILE QG 51 no 45.0 99.4 0.002 0.002 0.000 19 6 no 0.014 0 0
1 130 SER QB 81 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 131 ASP QB 33 no 100.0 99.7 0.638 0.640 0.002 27 10 no 0.086 0 0
1 132 VAL QG 7 no 100.0 100.0 24.161 24.162 0.001 56 13 no 0.118 0 0
1 133 VAL QG 4 no 100.0 100.0 12.095 12.095 0.000 71 21 no 0.034 0 0
1 134 GLN QB 111 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 134 GLN QE 54 no 100.0 100.0 0.223 0.223 0.000 19 9 no 0.000 0 0
1 134 GLN QG 25 no 100.0 100.0 3.717 3.719 0.002 30 14 no 0.086 0 0
1 135 ARG QB 67 no 55.0 100.0 0.152 0.152 0.000 17 11 no 0.002 0 0
1 135 ARG QD 105 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.013 0 0
1 135 ARG QG 117 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
stop_
save_
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