NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593820 |
2mx9   |
25398 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mx9
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 237
_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 0.470
_Stereo_assign_list.Total_e_high_states 127.946
_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 ASN QB 227 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.101 0 0
1 6 GLN QB 226 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.071 0 0
1 7 PRO QD 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 8 ILE QG 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 ASN QB 231 no 100.0 0.0 0.000 0.021 0.021 2 2 no 0.224 0 0
1 12 PRO QD 30 no 100.0 99.4 3.775 3.799 0.023 14 4 no 0.224 0 0
1 12 PRO QG 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 MET QB 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 MET QB 179 no 100.0 99.9 2.290 2.292 0.001 3 0 no 0.074 0 0
1 20 ASN QB 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 21 ASN QB 73 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 21 ASN QD 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.025 0 0
1 22 LEU QB 109 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.075 0 0
1 22 LEU QD 50 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.026 0 0
1 23 VAL QG 14 no 100.0 0.0 0.000 0.002 0.002 18 6 no 0.087 0 0
1 24 GLN QG 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.071 0 0
1 25 CYS QB 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 SER QB 62 no 100.0 99.5 1.241 1.247 0.006 9 0 no 0.091 0 0
1 28 ARG QD 108 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.021 0 0
1 29 SER QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 31 VAL QG 18 no 0.0 0.0 0.000 0.001 0.001 16 0 no 0.080 0 0
1 32 LEU QB 75 no 100.0 99.9 2.507 2.510 0.003 8 3 no 0.090 0 0
1 32 LEU QD 29 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.026 0 0
1 35 ASP QB 129 no 35.0 100.0 0.084 0.084 0.000 5 0 no 0.026 0 0
1 36 GLN QB 111 no 100.0 100.0 0.467 0.467 0.000 6 1 no 0.040 0 0
1 36 GLN QE 175 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 37 MET QB 88 no 100.0 100.0 1.153 1.153 0.000 7 1 no 0.015 0 0
1 37 MET QG 39 no 100.0 100.0 1.277 1.277 0.000 12 5 no 0.000 0 0
1 39 ASP QB 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 40 MET QB 8 no 100.0 100.0 0.731 0.731 0.000 20 4 no 0.046 0 0
1 41 GLY QA 174 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 45 ASP QB 86 no 100.0 97.9 0.405 0.414 0.009 7 0 no 0.129 0 0
1 46 SER QB 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.021 0 0
1 47 VAL QG 2 no 100.0 100.0 17.076 17.081 0.005 30 2 no 0.086 0 0
1 48 ASN QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 49 SER QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.080 0 0
1 50 GLN QB 107 no 100.0 99.7 1.099 1.103 0.003 6 0 no 0.111 0 0
1 50 GLN QE 235 no 25.0 99.5 0.100 0.101 0.001 1 0 no 0.082 0 0
1 50 GLN QG 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 MET QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.051 0 0
1 51 MET QG 113 no 100.0 0.0 0.000 0.006 0.006 6 2 no 0.188 0 0
1 52 GLN QG 49 no 100.0 99.9 1.609 1.611 0.002 10 0 no 0.151 0 0
1 53 LYS QB 72 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.142 0 0
1 53 LYS QG 106 no 0.0 0.0 0.000 0.001 0.001 6 0 no 0.101 0 0
1 54 MET QB 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 54 MET QG 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 55 GLY QA 122 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.045 0 0
1 56 PRO QB 217 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.108 0 0
1 56 PRO QD 173 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.045 0 0
1 58 PRO QB 92 no 55.0 99.9 0.171 0.171 0.000 7 4 no 0.049 0 0
1 58 PRO QD 63 no 30.0 97.1 0.146 0.151 0.004 9 2 no 0.135 0 0
1 58 PRO QG 230 no 0.0 0.0 0.000 0.011 0.011 2 2 no 0.159 0 0
1 59 PRO QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 59 PRO QD 135 no 100.0 99.7 3.366 3.376 0.011 5 4 no 0.159 0 0
1 60 GLN QE 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 60 GLN QG 33 no 90.0 99.9 0.956 0.958 0.001 12 0 no 0.103 0 0
1 63 LEU QB 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 63 LEU QD 82 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.058 0 0
1 66 MET QG 178 no 5.0 84.3 0.004 0.005 0.001 3 0 no 0.075 0 0
1 70 MET QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 MET QG 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 GLU QB 71 no 100.0 100.0 0.755 0.755 0.000 8 0 no 0.039 0 0
1 73 GLU QG 61 no 25.0 96.4 0.046 0.048 0.002 9 0 no 0.079 0 0
1 74 VAL QG 35 no 100.0 0.0 0.000 0.004 0.004 12 2 no 0.093 0 0
1 76 GLU QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 77 VAL QG 54 no 0.0 0.0 0.000 0.000 0.000 10 2 no 0.046 0 0
1 78 VAL QG 22 no 100.0 0.0 0.000 0.001 0.001 14 0 no 0.058 0 0
1 82 PRO QB 170 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 83 PRO QB 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 PRO QD 90 no 100.0 99.5 2.112 2.122 0.010 7 2 no 0.144 0 0
1 83 PRO QG 234 no 100.0 99.3 0.411 0.414 0.003 1 0 no 0.123 0 0
1 84 GLN QE 121 no 100.0 99.5 0.337 0.339 0.002 6 4 no 0.084 0 0
1 84 GLN QG 81 no 100.0 0.0 0.000 0.003 0.003 8 4 no 0.094 0 0
1 85 SER QB 128 no 100.0 97.3 0.463 0.476 0.013 5 0 no 0.221 0 0
1 86 TYR QB 127 no 100.0 99.7 2.122 2.128 0.007 5 0 no 0.193 0 0
1 89 VAL QG 37 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.021 0 0
1 90 LEU QB 55 no 100.0 100.0 1.359 1.359 0.000 10 3 no 0.034 0 0
1 90 LEU QD 53 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 91 ASN QB 44 no 100.0 99.8 0.979 0.981 0.002 11 3 no 0.068 0 0
1 91 ASN QD 133 no 100.0 99.9 1.829 1.830 0.001 5 2 no 0.098 0 0
1 93 ILE QG 12 no 100.0 99.8 1.950 1.955 0.005 18 4 no 0.093 0 0
1 94 GLY QA 42 no 100.0 99.7 2.146 2.152 0.006 11 1 no 0.121 0 0
1 96 CYS QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 97 LEU QB 24 no 100.0 98.8 0.575 0.582 0.007 14 3 no 0.146 0 0
1 97 LEU QD 4 no 100.0 98.5 0.486 0.494 0.007 25 6 no 0.147 0 0
1 98 ARG QB 80 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 98 ARG QG 79 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.016 0 0
1 99 GLU QB 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.039 0 0
1 99 GLU QG 103 no 100.0 0.0 0.000 0.008 0.008 6 0 no 0.197 0 0
1 101 MET QG 48 no 0.0 0.0 0.000 0.001 0.001 10 0 no 0.059 0 0
1 102 MET QB 85 no 100.0 99.9 0.774 0.775 0.001 7 0 no 0.080 0 0
1 103 GLN QB 32 no 100.0 100.0 2.372 2.373 0.001 13 0 no 0.060 0 0
1 103 GLN QG 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 107 SER QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 VAL QG 6 no 100.0 0.0 0.000 0.000 0.000 22 8 no 0.078 0 0
1 109 ASP QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 110 ASN QD 169 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 112 PHE QB 155 no 100.0 100.0 1.024 1.024 0.000 4 0 no 0.000 0 0
1 114 ASN QB 21 no 100.0 99.9 3.509 3.512 0.003 15 4 no 0.099 0 0
1 114 ASN QD 183 no 100.0 100.0 1.897 1.898 0.000 3 1 no 0.034 0 0
1 115 GLU QB 131 no 100.0 100.0 1.447 1.448 0.000 5 1 no 0.038 0 0
1 115 GLU QG 237 no 25.0 98.0 0.038 0.039 0.001 1 1 no 0.055 0 0
1 116 VAL QG 28 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.008 0 0
1 117 MET QG 70 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.043 0 0
1 118 GLN QB 126 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 118 GLN QG 154 no 100.0 0.0 0.000 0.007 0.007 4 0 no 0.142 0 0
1 119 LEU QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 LEU QD 16 no 100.0 0.0 0.000 0.000 0.000 17 0 no 0.025 0 0
1 120 VAL QG 11 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.022 0 0
1 121 LYS QG 58 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 122 MET QB 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 122 MET QG 69 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.091 0 0
1 123 LEU QD 182 no 10.0 95.1 0.020 0.021 0.001 3 1 no 0.086 0 0
1 126 ASP QB 207 no 100.0 0.0 0.000 0.010 0.010 2 0 no 0.260 0 0
1 129 ASN QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.054 0 0
1 130 GLU QB 120 no 100.0 0.0 0.000 0.003 0.003 6 4 no 0.232 0 0
1 130 GLU QG 119 no 0.0 0.0 0.000 0.001 0.001 6 4 no 0.169 0 0
1 131 VAL QG 102 no 100.0 0.0 0.000 0.006 0.006 6 0 no 0.257 0 0
2 4 ASN QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 6 GLN QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.055 0 0
2 7 PRO QD 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 8 ILE QG 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 11 ASN QB 229 no 0.0 0.0 0.000 0.016 0.016 2 2 no 0.199 0 0
2 12 PRO QD 27 no 100.0 99.5 3.702 3.721 0.019 14 4 no 0.199 0 0
2 12 PRO QG 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 16 MET QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 18 MET QB 177 no 100.0 99.9 2.189 2.190 0.001 3 0 no 0.070 0 0
2 18 MET QG 47 no 100.0 99.2 1.447 1.459 0.012 10 0 no 0.152 0 0
2 20 ASN QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 21 ASN QB 68 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.002 0 0
2 21 ASN QD 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 22 LEU QB 101 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.086 0 0
2 22 LEU QD 46 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.049 0 0
2 23 VAL QG 19 no 100.0 0.0 0.000 0.002 0.002 16 4 no 0.081 0 0
2 24 GLN QG 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.038 0 0
2 25 CYS QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 27 SER QB 60 no 100.0 99.2 1.236 1.246 0.010 9 0 no 0.118 0 0
2 28 ARG QD 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 29 SER QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 31 VAL QG 17 no 100.0 0.0 0.000 0.001 0.001 16 0 no 0.052 0 0
2 32 LEU QB 74 no 100.0 99.8 2.163 2.168 0.005 8 3 no 0.108 0 0
2 32 LEU QD 26 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.030 0 0
2 35 ASP QB 125 no 55.0 99.8 0.336 0.337 0.001 5 0 no 0.085 0 0
2 36 GLN QB 110 no 100.0 99.1 0.458 0.462 0.004 6 1 no 0.281 0 0
2 36 GLN QE 172 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 37 MET QB 87 no 100.0 100.0 1.194 1.194 0.000 7 1 no 0.029 0 0
2 37 MET QG 38 no 100.0 100.0 1.262 1.262 0.000 12 5 no 0.000 0 0
2 39 ASP QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 40 MET QB 7 no 100.0 99.4 0.745 0.749 0.004 20 4 no 0.228 0 0
2 41 GLY QA 112 no 100.0 99.8 0.844 0.846 0.002 6 2 no 0.081 0 0
2 45 ASP QB 84 no 100.0 98.0 0.397 0.406 0.008 7 0 no 0.119 0 0
2 46 SER QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.022 0 0
2 47 VAL QG 10 no 100.0 0.0 0.000 0.002 0.002 18 0 no 0.071 0 0
2 48 ASN QB 40 no 100.0 99.9 1.089 1.089 0.001 11 0 no 0.081 0 0
2 49 SER QB 146 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.092 0 0
2 50 GLN QB 99 no 100.0 99.7 0.903 0.906 0.003 6 0 no 0.121 0 0
2 50 GLN QE 233 no 30.0 99.8 0.169 0.170 0.000 1 0 no 0.059 0 0
2 50 GLN QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 51 MET QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.068 0 0
2 51 MET QG 144 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.188 0 0
2 52 GLN QG 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
2 53 LYS QB 67 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.079 0 0
2 53 LYS QG 98 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.067 0 0
2 54 MET QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 54 MET QG 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.026 0 0
2 55 GLY QA 118 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 56 PRO QB 196 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.175 0 0
2 56 PRO QD 171 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 58 PRO QB 91 no 65.0 99.9 0.240 0.240 0.000 7 4 no 0.055 0 0
2 58 PRO QD 195 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.104 0 0
2 58 PRO QG 228 no 100.0 0.0 0.000 0.018 0.018 2 2 no 0.209 0 0
2 59 PRO QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.032 0 0
2 59 PRO QD 134 no 100.0 99.4 3.164 3.182 0.018 5 4 no 0.209 0 0
2 60 GLN QE 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 60 GLN QG 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 63 LEU QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 63 LEU QD 117 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.023 0 0
2 66 MET QG 176 no 100.0 100.0 0.001 0.001 0.000 3 0 no 0.063 0 0
2 70 MET QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 70 MET QG 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 73 GLU QB 66 no 100.0 100.0 0.746 0.747 0.000 8 0 no 0.024 0 0
2 73 GLU QG 59 no 15.0 98.0 0.111 0.114 0.002 9 0 no 0.103 0 0
2 74 VAL QG 34 no 100.0 0.0 0.000 0.005 0.005 12 2 no 0.103 0 0
2 76 GLU QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 77 VAL QG 52 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.040 0 0
2 78 VAL QG 1 no 100.0 100.0 14.469 14.472 0.003 35 5 no 0.098 0 0
2 82 PRO QB 168 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.037 0 0
2 83 PRO QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 83 PRO QD 89 no 100.0 99.6 2.096 2.105 0.009 7 2 no 0.127 0 0
2 83 PRO QG 232 no 100.0 99.0 0.465 0.469 0.005 1 0 no 0.132 0 0
2 84 GLN QE 116 no 100.0 99.5 0.335 0.337 0.002 6 4 no 0.076 0 0
2 84 GLN QG 78 no 0.0 0.0 0.000 0.004 0.004 8 4 no 0.149 0 0
2 85 SER QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 86 TYR QB 124 no 100.0 99.7 2.093 2.099 0.006 5 0 no 0.171 0 0
2 89 VAL QG 36 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.013 0 0
2 90 LEU QB 57 no 100.0 100.0 1.235 1.235 0.000 10 4 no 0.042 0 0
2 90 LEU QD 51 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.036 0 0
2 91 ASN QB 43 no 100.0 99.8 0.909 0.911 0.002 11 3 no 0.088 0 0
2 91 ASN QD 132 no 100.0 100.0 2.014 2.015 0.000 5 2 no 0.081 0 0
2 93 ILE QG 13 no 100.0 99.7 2.021 2.026 0.005 18 6 no 0.103 0 0
2 94 GLY QA 41 no 100.0 99.8 2.114 2.118 0.004 11 1 no 0.105 0 0
2 96 CYS QB 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 97 LEU QB 23 no 100.0 99.2 0.541 0.546 0.005 14 3 no 0.153 0 0
2 97 LEU QD 3 no 100.0 98.5 0.451 0.458 0.007 25 6 no 0.128 0 0
2 98 ARG QB 77 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 98 ARG QG 76 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.030 0 0
2 99 GLU QB 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.045 0 0
2 99 GLU QG 94 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.129 0 0
2 101 MET QG 45 no 100.0 0.0 0.000 0.002 0.002 10 0 no 0.089 0 0
2 102 MET QB 83 no 100.0 99.9 0.808 0.809 0.001 7 0 no 0.071 0 0
2 103 GLN QB 31 no 100.0 99.9 2.470 2.473 0.002 13 0 no 0.105 0 0
2 103 GLN QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 107 SER QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 108 VAL QG 5 no 100.0 0.0 0.000 0.000 0.000 22 8 no 0.058 0 0
2 109 ASP QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 110 ASN QD 167 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
2 112 PHE QB 139 no 100.0 100.0 1.049 1.049 0.000 4 0 no 0.000 0 0
2 114 ASN QB 20 no 100.0 99.9 3.507 3.511 0.004 15 4 no 0.088 0 0
2 114 ASN QD 181 no 100.0 100.0 1.728 1.728 0.000 3 1 no 0.018 0 0
2 115 GLU QB 130 no 100.0 100.0 1.431 1.431 0.000 5 1 no 0.053 0 0
2 115 GLU QG 236 no 40.0 99.3 0.141 0.142 0.001 1 1 no 0.086 0 0
2 116 VAL QG 25 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.030 0 0
2 117 MET QG 65 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.054 0 0
2 118 GLN QB 123 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
2 118 GLN QG 138 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.097 0 0
2 119 LEU QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 119 LEU QD 15 no 100.0 0.0 0.000 0.000 0.000 17 0 no 0.058 0 0
2 120 VAL QG 9 no 100.0 0.0 0.000 0.000 0.000 20 6 no 0.023 0 0
2 121 LYS QG 56 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
2 122 MET QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 122 MET QG 64 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.060 0 0
2 123 LEU QD 180 no 25.0 99.1 0.088 0.089 0.001 3 1 no 0.055 0 0
2 126 ASP QB 184 no 100.0 0.0 0.000 0.012 0.012 2 0 no 0.257 0 0
2 129 ASN QB 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.055 0 0
2 130 GLU QB 115 no 0.0 0.0 0.000 0.000 0.000 6 4 no 0.010 0 0
2 130 GLU QG 114 no 0.0 0.0 0.000 0.000 0.000 6 4 no 0.010 0 0
2 131 VAL QG 93 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.217 0 0
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