NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569524 |
2lth   |
18480 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lth
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 220
_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 0.536
_Stereo_assign_list.Total_e_high_states 100.675
_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 HIS QB 105 no 0.0 0.0 0.000 0.028 0.028 6 0 no 0.265 0 0
1 9 PRO QB 220 no 80.0 100.0 0.148 0.148 0.000 1 0 no 0.000 0 0
1 9 PRO QD 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 12 ASN QD 104 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.175 0 0
1 13 PRO QD 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 PRO QG 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 LEU QB 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.024 0 0
1 15 LEU QD 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 GLU QB 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 ASN QD 80 no 100.0 0.0 0.000 0.006 0.006 8 0 no 0.269 0 0
1 19 PHE QB 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 MET QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 MET QG 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 ASN QD 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 SER QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 PHE QB 102 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 24 MET QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.028 0 0
1 24 MET QG 101 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 25 GLN QG 79 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.074 0 0
1 27 LEU QB 15 no 100.0 100.0 1.636 1.636 0.000 15 2 no 0.008 0 0
1 27 LEU QD 21 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.040 0 0
1 30 MET QB 147 no 100.0 100.0 0.904 0.905 0.000 4 0 no 0.029 0 0
1 30 MET QG 24 no 100.0 99.9 0.295 0.296 0.000 13 0 no 0.052 0 0
1 31 PRO QB 209 no 100.0 0.0 0.000 0.007 0.007 2 0 no 0.161 0 0
1 31 PRO QG 156 no 100.0 100.0 0.989 0.989 0.000 3 0 no 0.038 0 0
1 32 GLY QA 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 PHE QB 86 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 37 GLN QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 LEU QB 154 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 38 LEU QD 6 no 0.0 0.0 0.000 0.001 0.001 20 8 no 0.072 0 0
1 39 ASP QB 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.044 0 0
1 40 ASP QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 46 GLN QE 50 no 100.0 99.8 2.882 2.887 0.005 10 2 no 0.106 0 0
1 46 GLN QG 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.022 0 0
1 48 MET QB 17 no 100.0 100.0 1.198 1.198 0.000 14 0 no 0.023 0 0
1 49 VAL QG 33 no 100.0 0.0 0.000 0.003 0.003 12 0 no 0.161 0 0
1 50 GLN QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 50 GLN QE 69 no 100.0 99.8 1.944 1.948 0.004 9 2 no 0.106 0 0
1 50 GLN QG 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 ILE QG 112 no 100.0 100.0 0.046 0.046 0.000 5 0 no 0.000 0 0
1 53 GLN QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 53 GLN QE 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.046 0 0
1 55 LEU QB 61 no 100.0 99.9 1.992 1.993 0.001 9 0 no 0.072 0 0
1 55 LEU QD 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 58 GLN QB 9 no 100.0 100.0 2.692 2.692 0.001 17 4 no 0.073 0 0
1 58 GLN QE 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 GLN QG 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 60 ARG QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 60 ARG QD 37 no 100.0 0.0 0.000 0.012 0.012 12 4 no 0.266 0 0
1 63 PRO QB 200 no 90.0 100.0 0.059 0.059 0.000 2 0 no 0.000 0 0
1 64 ASN QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 ASN QD 142 no 0.0 0.0 0.000 0.023 0.023 4 0 no 0.338 0 0
1 65 LYS QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 LYS QE 141 no 0.0 0.0 0.000 0.005 0.005 4 0 no 0.180 0 0
1 66 LEU QD 32 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.063 0 0
1 67 GLN QB 68 no 100.0 100.0 0.358 0.358 0.000 9 2 no 0.016 0 0
1 67 GLN QE 152 no 100.0 0.0 0.000 0.001 0.001 4 2 no 0.050 0 0
1 67 GLN QG 99 no 100.0 99.8 1.079 1.081 0.002 6 0 no 0.090 0 0
1 69 LEU QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 69 LEU QD 140 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.085 0 0
1 70 ASN QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 MET QB 88 no 100.0 100.0 0.964 0.964 0.000 7 0 no 0.000 0 0
1 71 MET QG 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 PHE QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 SER QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 SER QB 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 77 MET QB 60 no 100.0 100.0 1.871 1.871 0.000 9 0 no 0.000 0 0
1 77 MET QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
1 80 ILE QG 59 no 100.0 99.6 1.619 1.626 0.006 9 0 no 0.220 0 0
1 84 GLU QG 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 GLU QB 47 no 95.0 96.9 0.892 0.921 0.028 10 0 no 0.299 0 0
1 85 GLU QG 193 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.164 0 0
1 88 GLY QA 192 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.125 0 0
1 90 LEU QD 46 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.064 0 0
1 93 LYS QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 ILE QG 45 no 100.0 100.0 0.887 0.887 0.000 10 0 no 0.000 0 0
1 99 SER QB 111 no 100.0 99.5 1.494 1.501 0.007 5 0 no 0.237 0 0
1 101 MET QB 13 no 100.0 100.0 2.317 2.317 0.000 16 1 no 0.029 0 0
1 102 SER QB 85 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 103 ASN QD 78 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.178 0 0
1 105 PHE QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 LEU QB 107 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.043 0 0
1 106 LEU QD 77 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.072 0 0
1 107 GLN QB 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 107 GLN QE 7 no 100.0 99.9 4.829 4.834 0.005 18 2 no 0.184 0 0
1 111 VAL QG 31 no 100.0 0.0 0.000 0.017 0.017 12 0 no 0.185 0 0
1 112 VAL QG 53 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.014 0 0
1 114 GLN QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 117 ILE QG 40 no 100.0 100.0 3.134 3.134 0.000 11 0 no 0.030 0 0
1 118 ASN QB 52 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.046 0 0
1 118 ASN QD 109 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.046 0 0
1 119 GLU QB 34 no 100.0 99.5 0.459 0.461 0.002 12 3 no 0.109 0 0
1 119 GLU QG 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 120 ILE QG 26 no 100.0 100.0 3.295 3.295 0.000 13 2 no 0.031 0 0
1 122 GLN QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 122 GLN QE 76 no 100.0 100.0 1.071 1.071 0.000 8 0 no 0.051 0 0
1 122 GLN QG 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 123 LEU QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 123 LEU QD 2 no 100.0 0.0 0.000 0.001 0.001 24 2 no 0.109 0 0
1 124 VAL QG 11 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.029 0 0
1 126 MET QG 75 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 127 PHE QB 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 129 GLN QB 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.078 0 0
1 129 GLN QE 20 no 100.0 99.2 2.593 2.615 0.022 14 2 no 0.305 0 0
1 129 GLN QG 67 no 100.0 98.6 0.623 0.632 0.009 9 2 no 0.092 0 0
1 132 MET QG 30 no 100.0 99.9 0.767 0.768 0.001 12 0 no 0.095 0 0
1 133 ASN QB 38 no 100.0 99.5 3.449 3.467 0.017 12 5 no 0.201 0 0
1 133 ASN QD 42 no 100.0 93.5 0.644 0.689 0.045 11 4 no 0.284 0 0
1 134 ASP QB 55 no 100.0 0.0 0.000 0.002 0.002 10 6 no 0.094 0 0
1 135 VAL QG 4 no 100.0 99.7 4.466 4.481 0.015 23 7 no 0.170 0 0
2 6 HIS QB 96 no 100.0 0.0 0.000 0.016 0.016 6 0 no 0.244 0 0
2 9 PRO QB 219 no 95.0 100.0 0.219 0.219 0.000 1 0 no 0.000 0 0
2 9 PRO QD 131 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 12 ASN QD 95 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.045 0 0
2 13 PRO QD 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 13 PRO QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 15 LEU QB 94 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.018 0 0
2 15 LEU QD 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 17 GLU QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 18 ASN QD 74 no 0.0 0.0 0.000 0.004 0.004 8 0 no 0.198 0 0
2 19 PHE QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 20 MET QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 20 MET QG 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 21 ASN QD 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 22 SER QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 23 PHE QB 93 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 24 MET QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.053 0 0
2 24 MET QG 92 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 25 GLN QG 73 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.141 0 0
2 27 LEU QB 14 no 100.0 100.0 1.609 1.609 0.000 15 2 no 0.000 0 0
2 27 LEU QD 19 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.024 0 0
2 30 MET QB 129 no 100.0 100.0 0.883 0.883 0.000 4 0 no 0.029 0 0
2 30 MET QG 23 no 100.0 99.9 0.316 0.316 0.000 13 0 no 0.070 0 0
2 31 PRO QB 178 no 100.0 0.0 0.000 0.008 0.008 2 0 no 0.137 0 0
2 31 PRO QG 155 no 100.0 99.9 1.049 1.050 0.001 3 0 no 0.093 0 0
2 32 GLY QA 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 33 PHE QB 84 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.021 0 0
2 37 GLN QB 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 38 LEU QB 153 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 38 LEU QD 5 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.057 0 0
2 39 ASP QB 91 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.042 0 0
2 40 ASP QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 46 GLN QE 49 no 100.0 99.6 2.738 2.748 0.010 10 2 no 0.206 0 0
2 46 GLN QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.010 0 0
2 48 MET QB 16 no 100.0 100.0 1.419 1.419 0.000 14 0 no 0.043 0 0
2 49 VAL QG 29 no 100.0 0.0 0.000 0.006 0.006 12 0 no 0.206 0 0
2 50 GLN QB 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 50 GLN QE 66 no 100.0 99.8 1.953 1.957 0.004 9 2 no 0.107 0 0
2 50 GLN QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 52 ILE QG 113 no 100.0 99.9 0.360 0.361 0.000 5 2 no 0.066 0 0
2 53 GLN QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 53 GLN QE 173 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.078 0 0
2 55 LEU QB 58 no 100.0 100.0 1.944 1.945 0.001 9 0 no 0.057 0 0
2 55 LEU QD 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 58 GLN QB 8 no 100.0 100.0 2.819 2.820 0.001 17 4 no 0.092 0 0
2 58 GLN QE 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.021 0 0
2 58 GLN QG 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 60 ARG QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 60 ARG QD 36 no 100.0 0.0 0.000 0.007 0.007 12 4 no 0.275 0 0
2 63 PRO QB 169 no 95.0 100.0 0.050 0.050 0.000 2 0 no 0.000 0 0
2 64 ASN QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 64 ASN QD 124 no 100.0 0.0 0.000 0.031 0.031 4 0 no 0.353 0 0
2 65 LYS QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 65 LYS QE 123 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.237 0 0
2 66 LEU QD 28 no 100.0 0.0 0.000 0.001 0.001 12 0 no 0.071 0 0
2 67 GLN QB 65 no 100.0 100.0 0.525 0.525 0.000 9 2 no 0.000 0 0
2 67 GLN QE 151 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.041 0 0
2 67 GLN QG 90 no 100.0 99.9 1.089 1.090 0.001 6 0 no 0.079 0 0
2 69 LEU QB 35 no 100.0 99.8 0.613 0.614 0.001 12 4 no 0.085 0 0
2 69 LEU QD 106 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.051 0 0
2 70 ASN QB 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 71 MET QB 87 no 100.0 100.0 0.974 0.974 0.000 7 0 no 0.000 0 0
2 71 MET QG 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 73 PHE QB 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 75 SER QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 76 SER QB 119 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 77 MET QB 57 no 100.0 100.0 1.784 1.784 0.000 9 0 no 0.000 0 0
2 77 MET QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.098 0 0
2 80 ILE QG 56 no 100.0 99.5 1.585 1.592 0.007 9 0 no 0.272 0 0
2 84 GLU QG 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.034 0 0
2 85 GLU QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.067 0 0
2 85 GLU QG 162 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.220 0 0
2 88 GLY QA 161 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.130 0 0
2 90 LEU QD 44 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.073 0 0
2 93 LYS QG 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 97 ILE QG 43 no 100.0 100.0 0.958 0.958 0.000 10 0 no 0.000 0 0
2 99 SER QB 110 no 100.0 99.5 1.450 1.458 0.008 5 0 no 0.230 0 0
2 101 MET QB 12 no 100.0 100.0 2.382 2.382 0.000 16 1 no 0.010 0 0
2 102 SER QB 83 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 103 ASN QD 72 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.089 0 0
2 105 PHE QB 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 106 LEU QB 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.052 0 0
2 106 LEU QD 71 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.095 0 0
2 107 GLN QB 117 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 107 GLN QE 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 111 VAL QG 22 no 100.0 99.3 2.801 2.819 0.019 13 0 no 0.191 0 0
2 112 VAL QG 51 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
2 114 GLN QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 117 ILE QG 39 no 100.0 100.0 3.042 3.042 0.000 11 0 no 0.025 0 0
2 118 ASN QB 81 no 0.0 0.0 0.000 0.002 0.002 8 2 no 0.142 0 0
2 118 ASN QD 41 no 100.0 99.5 1.190 1.196 0.006 11 2 no 0.135 0 0
2 119 GLU QB 108 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 119 GLU QG 116 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.022 0 0
2 120 ILE QG 25 no 100.0 100.0 1.769 1.769 0.000 13 1 no 0.010 0 0
2 122 GLN QB 64 no 100.0 100.0 1.188 1.188 0.000 9 2 no 0.002 0 0
2 122 GLN QE 82 no 100.0 100.0 1.091 1.091 0.000 8 3 no 0.053 0 0
2 122 GLN QG 62 no 100.0 100.0 0.371 0.371 0.000 9 1 no 0.000 0 0
2 123 LEU QB 115 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 123 LEU QD 1 no 100.0 0.0 0.000 0.000 0.000 26 4 no 0.027 0 0
2 124 VAL QG 10 no 100.0 0.0 0.000 0.000 0.000 16 0 no 0.035 0 0
2 126 MET QG 70 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 127 PHE QB 89 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 129 GLN QB 114 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.121 0 0
2 129 GLN QE 18 no 100.0 99.2 2.630 2.650 0.020 14 2 no 0.275 0 0
2 129 GLN QG 63 no 100.0 98.6 0.655 0.664 0.009 9 2 no 0.111 0 0
2 132 MET QG 27 no 100.0 99.8 0.754 0.755 0.001 12 0 no 0.116 0 0
2 133 ASN QB 150 no 100.0 0.0 0.000 0.002 0.002 4 2 no 0.065 0 0
2 133 ASN QD 48 no 100.0 95.7 0.764 0.799 0.034 10 2 no 0.251 0 0
2 134 ASP QB 54 no 100.0 0.0 0.000 0.002 0.002 10 6 no 0.115 0 0
2 135 VAL QG 3 no 100.0 99.7 5.566 5.582 0.016 23 6 no 0.205 0 0
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