NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573343 |
2m63   |
19106 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2m63
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 199
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 1.0
_Stereo_assign_list.Deassign_count 7
_Stereo_assign_list.Deassign_percentage 3.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 6.841
_Stereo_assign_list.Total_e_high_states 212.642
_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 4 MET QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 MET QG 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 GLY QA 122 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.014 0 0
1 9 PRO QB 110 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 9 PRO QD 65 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.102 0 0
1 9 PRO QG 45 no 100.0 100.0 2.395 2.396 0.001 15 0 no 0.087 0 0
1 11 LEU QB 80 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.068 0 0
1 11 LEU QD 43 no 100.0 0.0 0.000 0.004 0.004 16 6 no 0.255 0 0
1 12 PRO QB 100 no 100.0 100.0 1.981 1.981 0.000 9 0 no 0.024 0 0
1 12 PRO QD 42 no 100.0 100.0 1.807 1.807 0.000 16 4 no 0.068 0 0
1 12 PRO QG 128 no 100.0 100.0 1.344 1.344 0.000 7 0 no 0.000 0 0
1 13 SER QB 148 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.202 0 0
1 15 PHE QB 25 no 100.0 99.9 2.436 2.439 0.003 18 0 no 0.071 0 0
1 16 ASP QB 109 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.030 0 0
1 17 ILE QG 99 no 100.0 100.0 3.357 3.357 0.000 9 0 no 0.011 0 0
1 18 LEU QB 96 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.008 0 0
1 18 LEU QD 32 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.023 0 0
1 19 GLY QA 41 no 100.0 100.0 0.923 0.923 0.000 16 4 no 0.000 0 0
1 22 GLY QA 199 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 23 GLN QB 59 no 100.0 69.4 0.789 1.137 0.348 14 4 yes 0.955 0 10
1 23 GLN QE 121 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 24 ASP QB 91 no 100.0 0.0 0.000 0.018 0.018 10 2 no 0.209 0 0
1 25 LYS QB 49 no 100.0 97.7 1.225 1.253 0.028 15 2 no 0.262 0 0
1 25 LYS QE 66 no 100.0 0.0 0.000 0.050 0.050 14 10 no 0.262 0 0
1 25 LYS QG 58 no 100.0 95.3 2.485 2.608 0.123 14 4 no 0.566 0 2
1 26 LEU QB 57 no 100.0 94.0 1.536 1.633 0.098 14 4 no 0.604 0 5
1 26 LEU QD 31 no 100.0 0.0 0.000 0.026 0.026 18 4 no 0.299 0 0
1 27 LEU QB 34 no 100.0 99.0 3.630 3.667 0.037 18 6 no 0.256 0 0
1 27 LEU QD 64 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.010 0 0
1 28 TYR QB 98 no 100.0 99.9 2.077 2.079 0.002 9 0 no 0.146 0 0
1 29 LEU QB 151 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.022 0 0
1 29 LEU QD 8 no 100.0 98.7 15.663 15.863 0.200 25 8 no 0.855 0 5
1 30 LYS QB 56 yes 100.0 74.3 2.205 2.967 0.762 14 4 yes 0.924 0 22
1 30 LYS QE 118 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.179 0 0
1 32 LYS QD 174 no 100.0 0.0 0.000 0.046 0.046 4 2 no 0.551 0 2
1 32 LYS QE 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 LEU QB 23 no 100.0 99.1 4.445 4.486 0.041 19 4 no 0.335 0 0
1 33 LEU QD 75 no 100.0 0.0 0.000 0.041 0.041 12 2 no 0.672 0 1
1 34 LYS QB 40 no 100.0 97.4 0.942 0.968 0.025 16 4 no 0.304 0 0
1 34 LYS QD 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 LYS QE 117 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.148 0 0
1 34 LYS QG 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 36 PRO QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 PRO QD 147 no 100.0 0.0 0.000 0.031 0.031 6 0 no 0.258 0 0
1 36 PRO QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 ARG QB 90 no 100.0 96.9 1.333 1.376 0.043 10 2 no 0.495 0 0
1 38 PRO QD 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 PRO QG 177 no 100.0 73.3 1.041 1.421 0.380 3 0 yes 0.842 0 14
1 40 CYS QB 37 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.008 0 0
1 41 GLN QB 97 no 100.0 99.8 1.435 1.438 0.003 10 5 no 0.096 0 0
1 41 GLN QE 83 no 100.0 99.2 0.081 0.082 0.001 11 5 no 0.049 0 0
1 41 GLN QG 129 no 100.0 100.0 1.853 1.853 0.000 7 1 no 0.000 0 0
1 42 GLY QA 24 no 100.0 92.8 1.931 2.080 0.149 19 9 no 0.467 0 0
1 43 GLN QB 9 yes 100.0 97.7 1.514 1.549 0.036 25 10 no 0.353 0 0
1 43 GLN QE 17 no 0.0 0.0 0.000 0.000 0.000 22 10 no 0.047 0 0
1 44 ASP QB 63 no 100.0 99.8 0.653 0.654 0.001 14 6 no 0.048 0 0
1 45 LEU QB 61 no 100.0 98.8 0.836 0.847 0.011 14 5 no 0.216 0 0
1 45 LEU QD 62 no 0.0 0.0 0.000 0.250 0.250 14 6 no 0.758 0 2
1 46 LEU QB 146 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.017 0 0
1 46 LEU QD 116 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 47 HIS QB 22 no 100.0 100.0 3.332 3.333 0.000 19 0 no 0.028 0 0
1 49 MET QB 82 no 100.0 100.0 1.853 1.853 0.000 11 0 no 0.001 0 0
1 49 MET QG 18 no 100.0 90.5 3.348 3.700 0.351 21 5 yes 1.088 1 7
1 50 VAL QG 145 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.145 0 0
1 51 LEU QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 LEU QD 78 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 52 LEU QB 55 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.013 0 0
1 52 LEU QD 36 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.036 0 0
1 53 LYS QB 127 no 100.0 94.3 0.223 0.237 0.013 7 0 no 0.340 0 0
1 53 LYS QD 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 53 LYS QE 95 no 100.0 0.0 0.000 0.025 0.025 10 4 no 0.330 0 0
1 53 LYS QG 108 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 54 LEU QB 115 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.003 0 0
1 54 LEU QD 39 no 0.0 0.0 0.000 0.000 0.000 16 4 no 0.015 0 0
1 56 GLN QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.019 0 0
1 56 GLN QE 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.023 0 0
1 56 GLN QG 144 no 100.0 0.0 0.000 0.046 0.046 6 0 no 0.862 0 1
1 57 GLU QG 48 no 100.0 100.0 0.965 0.966 0.000 15 2 no 0.025 0 0
1 59 GLU QB 69 no 100.0 100.0 3.430 3.430 0.000 13 4 no 0.000 0 0
1 59 GLU QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 61 ARG QB 107 no 100.0 100.0 1.895 1.895 0.000 8 0 no 0.000 0 0
1 61 ARG QD 143 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 61 ARG QG 47 no 100.0 58.0 0.575 0.991 0.416 15 2 yes 0.701 0 15
1 62 ILE QG 142 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.007 0 0
1 63 SER QB 141 no 0.0 0.0 0.000 0.086 0.086 6 0 no 0.512 0 1
1 64 LEU QB 114 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 64 LEU QD 30 no 0.0 0.0 0.000 0.240 0.240 18 4 no 0.725 0 8
1 65 GLU QB 89 no 100.0 100.0 1.329 1.329 0.000 10 0 no 0.007 0 0
1 67 LEU QB 79 no 100.0 88.7 0.821 0.926 0.105 12 5 no 0.608 0 3
1 67 LEU QD 7 no 100.0 99.5 11.492 11.553 0.060 26 10 no 0.421 0 0
1 68 LYS QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 LYS QD 106 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.042 0 0
1 68 LYS QG 140 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.114 0 0
1 70 ASP QB 74 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.036 0 0
1 72 VAL QG 88 no 0.0 0.0 0.000 0.006 0.006 10 0 no 0.205 0 0
1 74 ARG QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 ARG QD 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 74 ARG QG 169 no 100.0 0.0 0.000 0.011 0.011 4 0 no 0.218 0 0
1 75 LEU QB 155 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 75 LEU QD 15 no 100.0 0.0 0.000 0.000 0.000 22 8 no 0.045 0 0
1 76 VAL QG 6 no 100.0 100.0 16.511 16.514 0.003 26 9 no 0.123 0 0
1 78 ARG QB 105 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.126 0 0
1 78 ARG QG 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 79 GLN QB 27 no 100.0 100.0 1.693 1.693 0.000 18 2 no 0.069 0 0
1 79 GLN QE 120 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 79 GLN QG 138 no 100.0 0.0 0.000 0.023 0.023 6 0 no 0.193 0 0
1 80 TRP QB 10 no 100.0 100.0 2.796 2.797 0.001 24 6 no 0.093 0 0
1 83 VAL QG 168 no 100.0 0.0 0.000 0.023 0.023 4 0 no 0.453 0 0
1 84 ASP QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 SER QB 104 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.069 0 0
1 87 GLU QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.022 0 0
1 87 GLU QG 103 no 0.0 0.0 0.000 0.002 0.002 8 0 no 0.125 0 0
1 88 ASP QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 90 GLU QB 137 no 0.0 0.0 0.000 0.032 0.032 6 0 no 0.282 0 0
1 91 GLU QB 119 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.050 0 0
1 91 GLU QG 154 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 92 PRO QB 126 no 100.0 100.0 1.036 1.036 0.000 7 0 no 0.000 0 0
1 92 PRO QD 13 no 100.0 100.0 2.331 2.332 0.001 23 8 no 0.079 0 0
1 93 PRO QD 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 VAL QG 33 no 100.0 0.0 0.000 0.051 0.051 18 6 no 0.357 0 0
1 96 SER QB 182 no 0.0 0.0 0.000 0.008 0.008 2 0 no 0.240 0 0
1 97 TRP QB 67 no 100.0 95.6 3.425 3.584 0.158 13 0 no 0.852 0 4
1 99 VAL QG 19 no 0.0 0.0 0.000 0.006 0.006 20 0 no 0.306 0 0
1 101 ARG QD 87 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 101 ARG QG 102 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.024 0 0
1 102 LEU QB 54 no 100.0 100.0 1.156 1.156 0.000 14 4 no 0.019 0 0
1 102 LEU QD 53 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.013 0 0
1 103 TYR QB 26 no 100.0 98.6 1.606 1.628 0.022 18 2 no 0.305 0 0
1 104 HIS QB 111 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.014 0 0
1 105 LEU QB 70 no 100.0 99.6 3.305 3.318 0.013 13 6 no 0.173 0 0
1 105 LEU QD 4 no 100.0 96.4 12.403 12.868 0.465 30 10 no 0.364 0 0
1 106 LEU QB 94 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 106 LEU QD 11 no 100.0 0.0 0.000 0.000 0.000 24 10 no 0.022 0 0
1 108 GLU QB 136 no 100.0 100.0 1.150 1.150 0.000 6 0 no 0.000 0 0
1 109 GLU QB 93 no 100.0 0.0 0.000 0.006 0.006 10 4 no 0.123 0 0
1 109 GLU QG 153 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.020 0 0
1 110 LYS QB 166 no 100.0 0.0 0.000 0.023 0.023 4 0 no 0.262 0 0
1 110 LYS QD 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 110 LYS QG 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 111 LEU QB 92 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 111 LEU QD 3 no 100.0 99.1 9.151 9.233 0.083 32 12 no 0.339 0 0
1 112 CYS QB 152 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.047 0 0
1 113 PRO QB 125 no 100.0 100.0 0.687 0.687 0.000 7 0 no 0.063 0 0
1 113 PRO QD 50 no 100.0 100.0 0.569 0.570 0.000 15 4 no 0.047 0 0
1 113 PRO QG 157 no 100.0 100.0 1.961 1.961 0.000 5 0 no 0.025 0 0
1 116 LEU QB 77 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 116 LEU QD 21 no 0.0 0.0 0.000 0.445 0.445 20 8 yes 1.109 5 9
1 117 ARG QB 52 no 100.0 99.0 3.843 3.880 0.037 14 0 no 0.285 0 0
1 117 ARG QG 29 no 100.0 89.9 7.134 7.933 0.799 18 4 yes 1.152 6 15
1 118 ASP QB 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 119 VAL QG 16 no 95.0 0.0 0.000 0.047 0.047 22 10 no 0.411 0 0
1 121 TYR QB 12 no 100.0 99.9 1.204 1.204 0.001 23 0 no 0.045 0 0
1 122 GLN QB 68 no 100.0 99.7 5.317 5.331 0.014 13 2 no 0.216 0 0
1 122 GLN QE 113 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.032 0 0
1 122 GLN QG 51 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.004 0 0
1 123 GLU QB 156 no 100.0 100.0 2.210 2.210 0.000 5 0 no 0.034 0 0
1 123 GLU QG 134 no 100.0 0.0 0.000 0.056 0.056 6 0 no 0.365 0 0
1 125 VAL QG 35 no 0.0 0.0 0.000 0.022 0.022 18 8 no 0.288 0 0
1 126 ARG QD 72 no 0.0 0.0 0.000 0.047 0.047 12 0 no 0.444 0 0
1 126 ARG QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.053 0 0
1 128 LEU QB 20 no 100.0 100.0 5.373 5.374 0.000 20 3 no 0.048 0 0
1 128 LEU QD 38 no 100.0 0.0 0.000 0.004 0.004 16 0 no 0.204 0 0
1 129 SER QB 150 no 100.0 0.0 0.000 0.016 0.016 6 2 no 0.231 0 0
1 131 ARG QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 131 ARG QD 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 131 ARG QG 86 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 132 ASP QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 135 ARG QB 46 no 100.0 100.0 1.947 1.947 0.000 15 1 no 0.049 0 0
1 135 ARG QD 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.006 0 0
1 135 ARG QG 101 no 100.0 99.8 1.261 1.264 0.003 9 1 no 0.090 0 0
1 136 LEU QB 149 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 136 LEU QD 1 no 100.0 100.0 16.911 16.911 0.000 38 15 no 0.021 0 0
1 138 GLU QB 124 no 100.0 100.0 0.915 0.915 0.000 7 0 no 0.034 0 0
1 138 GLU QG 85 no 100.0 98.7 1.420 1.439 0.019 10 0 no 0.210 0 0
1 139 LEU QB 14 no 100.0 100.0 0.812 0.812 0.000 22 5 no 0.021 0 0
1 139 LEU QD 2 no 100.0 0.0 0.000 0.000 0.000 32 8 no 0.026 0 0
1 140 GLN QB 76 no 100.0 100.0 1.433 1.433 0.000 12 4 no 0.007 0 0
1 140 GLN QE 5 no 100.0 0.0 0.000 0.021 0.021 28 16 no 0.288 0 0
1 140 GLN QG 28 no 100.0 98.8 0.740 0.749 0.009 18 3 no 0.133 0 0
1 141 ASP QB 161 no 100.0 0.0 0.000 0.011 0.011 4 0 no 0.176 0 0
1 142 GLU QB 44 no 100.0 90.5 0.731 0.808 0.077 15 0 no 0.381 0 0
1 142 GLU QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 144 ARG QB 73 no 100.0 0.0 0.000 0.040 0.040 12 2 no 0.559 0 1
1 144 ARG QG 71 no 100.0 0.0 0.000 0.002 0.002 12 0 no 0.098 0 0
1 145 ASN QB 60 no 100.0 94.5 1.105 1.169 0.065 14 5 no 0.425 0 0
1 145 ASN QD 173 no 100.0 100.0 1.426 1.426 0.000 4 1 no 0.000 0 0
1 146 ARG QB 132 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 146 ARG QD 123 no 100.0 93.0 0.426 0.458 0.032 7 0 no 0.306 0 0
1 146 ARG QG 130 no 100.0 100.0 1.636 1.637 0.000 7 2 no 0.046 0 0
1 147 CYS QB 84 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.013 0 0
1 149 TRP QB 81 no 100.0 97.9 0.378 0.386 0.008 11 0 no 0.159 0 0
1 150 ASP QB 159 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.076 0 0
1 151 ILE QG 131 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.061 0 0
1 153 GLY QA 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 154 ASP QB 175 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 155 PRO QB 176 no 100.0 100.0 0.620 0.620 0.000 3 0 no 0.000 0 0
1 155 PRO QD 112 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 158 ILE QG 158 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.170 0 0
1 159 ARG QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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