NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
515233 |
2ld4   |
17646 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2ld4
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 224
_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 30
_Stereo_assign_list.Total_e_low_states 0.233
_Stereo_assign_list.Total_e_high_states 58.972
_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 5 MET QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 ASP QB 108 no 3.3 100.0 0.003 0.003 0.000 9 1 no 0.000 0 0
1 8 PHE QB 20 no 100.0 100.0 1.459 1.459 0.000 21 8 no 0.000 0 0
1 9 GLY QA 171 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 10 ILE QG 79 no 100.0 100.0 1.262 1.262 0.000 12 4 no 0.000 0 0
1 13 GLY QA 69 no 100.0 0.0 0.000 0.000 0.000 13 6 no 0.000 0 0
1 14 GLN QB 142 no 100.0 100.0 0.016 0.016 0.000 7 1 no 0.000 0 0
1 14 GLN QE 28 no 100.0 100.0 0.366 0.366 0.000 18 6 no 0.000 0 0
1 14 GLN QG 34 no 56.7 100.0 0.009 0.009 0.000 17 3 no 0.000 0 0
1 15 PHE QB 60 no 100.0 0.0 0.000 0.000 0.000 13 0 no 0.000 0 0
1 16 VAL QG 84 no 16.7 100.0 0.000 0.000 0.000 11 1 no 0.000 0 0
1 18 VAL QG 118 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 19 VAL QG 10 no 100.0 100.0 1.513 1.513 0.000 26 8 no 0.000 0 0
1 20 TRP QB 38 no 100.0 100.0 1.009 1.009 0.000 17 8 no 0.000 0 0
1 21 ASP QB 83 no 100.0 0.0 0.000 0.000 0.000 11 1 no 0.000 0 0
1 22 LYS QB 224 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 22 LYS QD 223 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 22 LYS QG 180 no 83.3 100.0 0.268 0.268 0.000 4 0 no 0.000 0 0
1 24 SER QB 47 no 86.7 100.0 0.007 0.007 0.000 15 10 no 0.000 0 0
1 25 PRO QB 107 no 100.0 100.0 0.713 0.713 0.000 9 1 no 0.000 0 0
1 25 PRO QD 143 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 25 PRO QG 199 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 26 VAL QG 43 no 100.0 100.0 0.006 0.006 0.000 15 3 no 0.000 0 0
1 27 GLU QB 141 no 100.0 100.0 0.935 0.935 0.000 7 1 no 0.000 0 0
1 29 LEU QB 57 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.000 0 0
1 29 LEU QD 1 no 100.0 100.0 0.006 0.006 0.000 53 19 no 0.000 0 0
1 30 LYS QB 201 no 100.0 100.0 0.334 0.334 0.000 3 1 no 0.000 0 0
1 30 LYS QG 170 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 31 GLY QA 189 no 100.0 100.0 0.408 0.408 0.000 4 3 no 0.000 0 0
1 32 LEU QB 104 no 93.3 100.0 0.000 0.000 0.000 10 5 no 0.000 0 0
1 32 LEU QD 114 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.000 0 0
1 33 VAL QG 46 no 96.7 100.0 0.256 0.256 0.000 15 6 no 0.000 0 0
1 34 ASP QB 74 no 100.0 0.0 0.000 0.000 0.000 12 3 no 0.000 0 0
1 35 LYS QB 140 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 35 LYS QG 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 LEU QB 157 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 36 LEU QD 198 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 37 GLN QB 102 no 100.0 0.0 0.000 0.000 0.000 10 3 no 0.000 0 0
1 37 GLN QE 94 no 100.0 100.0 1.002 1.002 0.000 11 7 no 0.000 0 0
1 37 GLN QG 35 no 100.0 100.0 0.357 0.357 0.000 17 5 no 0.000 0 0
1 39 LEU QB 99 no 100.0 100.0 1.936 1.936 0.000 10 2 no 0.000 0 0
1 39 LEU QD 52 no 100.0 100.0 1.726 1.726 0.000 14 3 no 0.000 0 0
1 41 GLY QA 197 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 42 ASN QD 196 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 43 GLU QB 78 no 100.0 100.0 0.210 0.210 0.000 12 4 no 0.000 0 0
1 43 GLU QG 222 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 44 GLY QA 50 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.000 0 0
1 45 ARG QD 96 no 70.0 100.0 0.014 0.014 0.000 10 0 no 0.000 0 0
1 45 ARG QG 105 no 100.0 100.0 0.109 0.109 0.000 9 0 no 0.000 0 0
1 46 VAL QG 23 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.000 0 0
1 47 SER QB 21 no 100.0 100.0 0.524 0.524 0.000 20 3 no 0.000 0 0
1 48 VAL QG 110 no 96.7 100.0 0.058 0.058 0.000 9 2 no 0.000 0 0
1 49 GLU QB 109 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0
1 49 GLU QG 90 no 100.0 100.0 0.214 0.214 0.000 11 3 no 0.000 0 0
1 50 ASN QB 63 no 100.0 100.0 1.287 1.287 0.000 13 2 no 0.000 0 0
1 50 ASN QD 32 no 3.3 100.0 0.000 0.000 0.000 17 1 no 0.000 0 0
1 51 ILE QG 130 no 30.0 100.0 0.004 0.004 0.000 8 3 no 0.000 0 0
1 52 LYS QB 195 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 52 LYS QG 169 no 96.7 100.0 1.138 1.138 0.000 5 1 no 0.000 0 0
1 53 GLN QB 139 no 3.3 100.0 0.004 0.004 0.000 7 1 no 0.000 0 0
1 53 GLN QE 215 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 53 GLN QG 124 no 100.0 100.0 0.045 0.045 0.000 8 1 no 0.000 0 0
1 54 LEU QD 117 no 10.0 100.0 0.001 0.001 0.000 9 4 no 0.000 0 0
1 55 LEU QB 161 no 3.3 100.0 0.010 0.010 0.000 6 3 no 0.000 0 0
1 55 LEU QD 80 no 100.0 100.0 0.751 0.751 0.000 12 5 no 0.000 0 0
1 56 GLN QE 216 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 57 SER QB 42 no 100.0 0.0 0.000 0.000 0.000 15 3 no 0.000 0 0
1 59 HIS QB 31 no 100.0 0.0 0.000 0.000 0.000 17 1 no 0.000 0 0
1 60 LYS QB 185 no 53.3 100.0 0.076 0.076 0.000 4 1 no 0.000 0 0
1 60 LYS QG 168 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 61 GLU QB 156 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 61 GLU QG 101 no 100.0 100.0 0.343 0.343 0.000 10 3 no 0.000 0 0
1 62 SER QB 188 no 23.3 100.0 0.019 0.019 0.000 4 3 no 0.000 0 0
1 63 SER QB 39 no 100.0 100.0 2.213 2.213 0.000 16 1 no 0.000 0 0
1 64 PHE QB 17 no 100.0 0.0 0.000 0.000 0.000 21 4 no 0.000 0 0
1 65 ASP QB 16 no 100.0 100.0 0.917 0.917 0.000 22 12 no 0.000 0 0
1 66 ILE QG 68 no 50.0 100.0 0.001 0.001 0.000 13 6 no 0.000 0 0
1 67 ILE QG 40 no 100.0 100.0 1.507 1.507 0.000 16 4 no 0.000 0 0
1 68 LEU QB 67 no 100.0 0.0 0.000 0.000 0.000 13 5 no 0.000 0 0
1 68 LEU QD 6 no 100.0 100.0 1.242 1.242 0.000 30 8 no 0.000 0 0
1 69 SER QB 19 no 100.0 100.0 0.223 0.223 0.000 21 7 no 0.000 0 0
1 70 GLY QA 123 no 100.0 100.0 0.459 0.459 0.000 8 1 no 0.000 0 0
1 71 LEU QB 163 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 71 LEU QD 132 no 100.0 100.0 0.622 0.622 0.000 8 4 no 0.000 0 0
1 72 VAL QG 13 no 100.0 96.1 0.184 0.192 0.007 25 10 no 0.107 0 0
1 73 PRO QB 194 no 100.0 100.0 0.024 0.024 0.000 3 0 no 0.000 0 0
1 73 PRO QD 116 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 73 PRO QG 221 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 74 GLY QA 187 no 100.0 100.0 0.957 0.957 0.000 4 3 no 0.000 0 0
1 75 SER QB 98 no 96.7 100.0 0.247 0.247 0.000 10 1 no 0.000 0 0
1 78 LEU QB 122 no 100.0 100.0 0.018 0.018 0.000 8 0 no 0.000 0 0
1 78 LEU QD 174 no 10.0 100.0 0.002 0.002 0.000 5 2 no 0.000 0 0
1 79 HIS QB 18 no 100.0 100.0 0.267 0.267 0.000 21 6 no 0.000 0 0
1 80 SER QB 121 no 100.0 100.0 0.176 0.176 0.000 8 0 no 0.000 0 0
1 82 GLU QB 167 no 100.0 100.0 0.294 0.294 0.000 5 1 no 0.000 0 0
1 82 GLU QG 138 no 66.7 100.0 0.004 0.004 0.000 7 1 no 0.000 0 0
1 83 ILE QG 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 84 LEU QB 93 no 100.0 0.0 0.000 0.000 0.000 11 6 no 0.000 0 0
1 84 LEU QD 7 no 100.0 100.0 0.598 0.598 0.000 30 13 no 0.000 0 0
1 86 GLU QB 155 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 87 ILE QG 166 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 89 ARG QB 137 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 89 ARG QD 145 no 100.0 99.8 1.117 1.119 0.002 7 3 no 0.238 0 0
1 89 ARG QG 165 no 96.7 100.0 0.099 0.099 0.000 5 1 no 0.000 0 0
1 90 ILE QG 59 no 100.0 100.0 0.079 0.079 0.000 13 0 no 0.000 0 0
1 91 LEU QB 136 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 91 LEU QD 15 no 100.0 100.0 1.470 1.470 0.000 24 8 no 0.000 0 0
1 92 ARG QB 95 no 100.0 100.0 0.620 0.620 0.000 11 8 no 0.000 0 0
1 92 ARG QD 89 no 100.0 93.1 2.773 2.978 0.205 11 3 no 0.606 0 9
1 92 ARG QG 62 no 100.0 97.5 0.642 0.659 0.017 13 2 no 0.235 0 0
1 93 PRO QB 113 no 100.0 100.0 0.001 0.001 0.000 9 3 no 0.000 0 0
1 93 PRO QD 119 no 100.0 0.0 0.000 0.000 0.000 9 6 no 0.000 0 0
1 93 PRO QG 202 no 83.3 100.0 0.069 0.069 0.000 3 2 no 0.000 0 0
1 94 GLY QA 133 no 100.0 100.0 0.779 0.779 0.000 8 5 no 0.000 0 0
1 95 GLY QA 30 no 100.0 100.0 0.689 0.689 0.000 18 7 no 0.000 0 0
1 96 CYS QB 33 no 100.0 100.0 1.534 1.534 0.000 17 3 no 0.000 0 0
1 97 LEU QB 91 no 100.0 100.0 0.741 0.741 0.000 11 4 no 0.000 0 0
1 97 LEU QD 26 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.000 0 0
1 98 PHE QB 53 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 99 LEU QB 112 no 100.0 0.0 0.000 0.000 0.000 9 3 no 0.000 0 0
1 99 LEU QD 3 no 100.0 100.0 0.830 0.830 0.000 47 17 no 0.000 0 0
1 100 LYS QB 214 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 101 GLU QB 56 no 100.0 100.0 0.063 0.063 0.000 14 6 no 0.000 0 0
1 102 PRO QB 128 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 102 PRO QD 49 no 43.3 100.0 0.001 0.001 0.000 14 2 no 0.000 0 0
1 102 PRO QG 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 VAL QG 11 no 100.0 99.9 0.981 0.982 0.001 25 3 no 0.044 0 0
1 104 GLU QB 66 no 46.7 100.0 0.034 0.034 0.000 13 5 no 0.000 0 0
1 104 GLU QG 103 no 6.7 100.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 107 VAL QG 27 no 100.0 100.0 0.286 0.286 0.000 18 5 no 0.000 0 0
1 108 ASP QB 82 no 100.0 100.0 0.499 0.499 0.000 11 1 no 0.000 0 0
1 109 ASN QD 178 no 3.3 100.0 0.001 0.001 0.000 4 0 no 0.000 0 0
1 110 ASN QB 131 no 100.0 100.0 0.474 0.474 0.000 8 4 no 0.000 0 0
1 110 ASN QD 129 no 100.0 0.0 0.000 0.000 0.000 8 3 no 0.000 0 0
1 111 SER QB 36 no 100.0 0.0 0.000 0.000 0.000 17 6 no 0.000 0 0
1 112 LYS QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 112 LYS QG 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 113 VAL QG 4 no 100.0 100.0 0.172 0.172 0.000 33 14 no 0.000 0 0
1 114 LYS QB 220 no 13.3 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 117 SER QB 97 no 100.0 100.0 0.493 0.493 0.000 10 1 no 0.000 0 0
1 118 LYS QB 184 no 83.3 100.0 0.102 0.102 0.000 4 1 no 0.000 0 0
1 119 LEU QB 135 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 119 LEU QD 58 no 100.0 100.0 0.070 0.070 0.000 14 8 no 0.000 0 0
1 120 CYS QB 64 no 100.0 100.0 1.098 1.098 0.000 13 3 no 0.000 0 0
1 121 SER QB 88 no 100.0 0.0 0.000 0.000 0.000 11 2 no 0.000 0 0
1 123 LEU QB 115 no 100.0 0.0 0.000 0.000 0.000 9 4 no 0.000 0 0
1 123 LEU QD 29 no 100.0 100.0 0.662 0.662 0.000 18 7 no 0.000 0 0
1 125 LEU QB 87 no 100.0 100.0 0.176 0.176 0.000 11 2 no 0.000 0 0
1 125 LEU QD 77 no 40.0 100.0 0.005 0.005 0.000 12 4 no 0.000 0 0
1 126 SER QB 37 no 63.3 100.0 0.148 0.148 0.000 17 8 no 0.000 0 0
1 127 GLY QA 183 no 83.3 100.0 0.915 0.915 0.000 4 1 no 0.000 0 0
1 128 LEU QB 160 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 128 LEU QD 219 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 129 VAL QG 8 no 100.0 100.0 0.193 0.193 0.000 29 9 no 0.000 0 0
1 130 GLU QB 193 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 131 VAL QG 5 no 100.0 100.0 1.394 1.394 0.000 31 8 no 0.000 0 0
1 132 LYS QB 164 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 132 LYS QE 173 no 43.3 100.0 0.259 0.259 0.000 5 2 no 0.000 0 0
1 132 LYS QG 172 no 83.3 100.0 0.099 0.099 0.000 5 2 no 0.000 0 0
1 133 GLU QB 127 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 133 GLU QG 70 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 134 LEU QB 182 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 134 LEU QD 12 no 100.0 100.0 0.056 0.056 0.000 25 6 no 0.000 0 0
1 135 GLN QB 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 135 GLN QE 134 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 136 ARG QB 76 no 36.7 100.0 0.014 0.014 0.000 12 4 no 0.000 0 0
1 136 ARG QD 192 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 136 ARG QG 162 no 20.0 100.0 0.010 0.010 0.000 5 0 no 0.000 0 0
1 137 GLU QB 86 no 100.0 100.0 0.390 0.390 0.000 11 2 no 0.000 0 0
1 137 GLU QG 111 no 100.0 100.0 0.012 0.012 0.000 9 3 no 0.000 0 0
1 138 PRO QB 200 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 138 PRO QD 218 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 138 PRO QG 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 LEU QB 126 no 100.0 100.0 0.716 0.716 0.000 8 2 no 0.000 0 0
1 139 LEU QD 2 no 100.0 100.0 0.035 0.035 0.000 47 16 no 0.000 0 0
1 141 PRO QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 141 PRO QG 191 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 142 GLU QB 154 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 142 GLU QG 181 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 143 GLU QB 24 no 100.0 0.0 0.000 0.000 0.000 19 5 no 0.000 0 0
1 143 GLU QG 51 no 100.0 0.0 0.000 0.000 0.000 14 3 no 0.000 0 0
1 144 VAL QG 44 no 100.0 0.0 0.000 0.000 0.000 15 5 no 0.000 0 0
1 145 GLN QB 159 no 100.0 100.0 0.083 0.083 0.000 6 2 no 0.000 0 0
1 145 GLN QE 175 no 13.3 100.0 0.044 0.044 0.000 5 3 no 0.000 0 0
1 146 SER QB 85 no 100.0 100.0 1.344 1.344 0.000 11 2 no 0.000 0 0
1 147 VAL QG 9 no 100.0 100.0 0.869 0.869 0.000 26 7 no 0.000 0 0
1 148 ARG QB 149 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 148 ARG QG 148 no 3.3 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 149 GLU QB 120 no 3.3 100.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 149 GLU QG 153 no 16.7 100.0 0.007 0.007 0.000 6 1 no 0.000 0 0
1 150 HIS QB 81 no 100.0 100.0 0.410 0.410 0.000 11 1 no 0.000 0 0
1 151 LEU QB 144 no 100.0 0.0 0.000 0.000 0.000 7 3 no 0.000 0 0
1 151 LEU QD 92 no 100.0 0.0 0.000 0.000 0.000 11 5 no 0.000 0 0
1 152 GLY QA 217 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 153 HIS QB 65 no 100.0 0.0 0.000 0.000 0.000 13 5 no 0.000 0 0
1 154 GLU QB 152 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 154 GLU QG 151 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 155 SER QB 41 no 100.0 100.0 0.621 0.621 0.000 15 1 no 0.000 0 0
1 156 ASP QB 150 no 100.0 100.0 0.831 0.831 0.000 6 1 no 0.000 0 0
1 157 ASN QB 48 no 10.0 100.0 0.000 0.000 0.000 14 2 no 0.000 0 0
1 157 ASN QD 100 no 13.3 100.0 0.001 0.001 0.000 10 3 no 0.000 0 0
1 158 LEU QB 125 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 158 LEU QD 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 159 LEU QB 158 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 159 LEU QD 55 no 100.0 100.0 0.267 0.267 0.000 14 5 no 0.000 0 0
1 160 PHE QB 22 no 100.0 100.0 0.513 0.513 0.000 20 6 no 0.000 0 0
1 161 VAL QG 25 no 100.0 100.0 2.498 2.499 0.001 19 8 no 0.044 0 0
1 162 GLN QB 54 no 100.0 0.0 0.000 0.000 0.000 14 5 no 0.000 0 0
1 162 GLN QE 147 no 100.0 0.0 0.000 0.000 0.000 7 5 no 0.000 0 0
1 162 GLN QG 73 no 100.0 0.0 0.000 0.000 0.000 12 3 no 0.000 0 0
1 163 ILE QG 106 no 100.0 0.0 0.000 0.000 0.000 9 1 no 0.000 0 0
1 165 GLY QA 14 no 100.0 100.0 0.935 0.935 0.000 24 6 no 0.000 0 0
1 166 LYS QB 61 no 100.0 100.0 0.083 0.083 0.000 13 2 no 0.000 0 0
1 166 LYS QG 72 no 100.0 100.0 0.825 0.825 0.000 12 3 no 0.000 0 0
1 167 LYS QB 71 no 43.3 100.0 0.062 0.062 0.000 12 3 no 0.000 0 0
1 167 LYS QD 213 no 43.3 100.0 0.020 0.020 0.000 2 1 no 0.000 0 0
1 168 PRO QB 186 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 168 PRO QD 45 no 26.7 100.0 0.005 0.005 0.000 15 6 no 0.000 0 0
1 169 ASN QB 75 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 169 ASN QD 146 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 170 PHE QB 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 171 GLU QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 172 VAL QG 190 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 176 ARG QB 212 no 56.7 100.0 0.165 0.165 0.000 2 1 no 0.000 0 0
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