NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632521 |
5ynr   |
cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_5ynr
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 10
_Stereo_assign_list.Total_e_low_states 0.602
_Stereo_assign_list.Total_e_high_states 36.858
_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 3 MET QB 189 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 3 MET QG 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 5 SER QB 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 LEU QB 219 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 LEU QD 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 9 ILE QG 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 10 CYS QB 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 11 SER QB 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 13 PRO QB 42 no 80.0 99.4 0.011 0.011 0.000 13 8 no 0.024 0 0
1 13 PRO QG 19 no 100.0 0.0 0.000 0.003 0.003 18 8 no 0.095 0 0
1 14 ASP QB 98 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.022 0 0
1 15 GLY QA 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 16 VAL QG 6 no 100.0 0.0 0.000 0.000 0.000 29 12 no 0.000 0 0
1 17 LYS QB 146 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.027 0 0
1 17 LYS QD 45 no 100.0 0.0 0.000 0.003 0.003 12 0 no 0.082 0 0
1 17 LYS QE 103 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.044 0 0
1 17 LYS QG 29 no 0.0 0.0 0.000 0.002 0.002 16 8 no 0.059 0 0
1 18 GLU QB 37 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.026 0 0
1 18 GLU QG 12 no 10.0 77.9 0.011 0.014 0.003 20 8 no 0.170 0 0
1 19 ASP QB 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 LEU QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 LEU QD 83 no 20.0 100.0 0.002 0.002 0.000 9 6 no 0.000 0 0
1 21 LYS QB 11 no 100.0 9.3 0.000 0.001 0.001 20 8 no 0.073 0 0
1 21 LYS QD 181 no 40.0 100.0 0.105 0.105 0.000 4 0 no 0.000 0 0
1 21 LYS QE 30 no 100.0 0.0 0.000 0.004 0.004 16 12 no 0.160 0 0
1 21 LYS QG 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 LYS QB 73 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 22 LYS QD 81 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.080 0 0
1 22 LYS QE 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 LYS QG 179 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 23 PHE QB 74 no 30.0 100.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 23 PHE QD 60 no 100.0 99.7 9.320 9.350 0.030 11 2 no 0.249 0 0
1 23 PHE QE 46 no 100.0 98.1 3.890 3.964 0.074 12 2 no 0.345 0 0
1 24 ARG QB 145 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 24 ARG QD 102 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 24 ARG QG 144 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 25 PHE QB 143 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 25 PHE QD 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 PHE QE 215 no 100.0 0.0 0.000 0.054 0.054 2 0 no 0.370 0 0
1 27 LYS QB 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 LYS QD 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 LYS QE 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 LYS QG 176 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 28 SER QB 142 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 31 MET QB 97 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.086 0 0
1 31 MET QG 96 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.080 0 0
1 32 ASN QB 80 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 34 LEU QB 56 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.033 0 0
1 34 LEU QD 95 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 35 ILE QG 72 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 36 LEU QB 71 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.061 0 0
1 36 LEU QD 31 no 90.0 99.4 0.145 0.146 0.001 15 4 no 0.080 0 0
1 37 LYS QB 18 no 100.0 0.0 0.000 0.013 0.013 18 8 no 0.216 0 0
1 37 LYS QD 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 37 LYS QE 195 no 70.0 90.6 0.318 0.351 0.033 3 0 no 0.381 0 0
1 37 LYS QG 70 no 100.0 0.0 0.000 0.003 0.003 10 0 no 0.111 0 0
1 38 ILE QG 20 no 100.0 0.0 0.000 0.038 0.038 17 8 no 0.267 0 0
1 39 ASP QB 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 40 ARG QB 174 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 40 ARG QD 140 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.084 0 0
1 40 ARG QG 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 41 GLU QB 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 42 SER QB 138 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.144 0 0
1 43 HIS QB 154 no 80.0 93.4 0.142 0.152 0.010 5 0 no 0.161 0 0
1 44 GLU QB 14 no 100.0 99.8 0.445 0.446 0.001 19 8 no 0.066 0 0
1 44 GLU QG 137 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.065 0 0
1 45 LEU QB 150 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 45 LEU QD 136 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 46 GLN QB 107 no 80.0 99.9 1.241 1.242 0.001 7 0 no 0.084 0 0
1 46 GLN QG 44 no 100.0 0.0 0.000 0.002 0.002 12 0 no 0.080 0 0
1 47 SER QB 17 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.051 0 0
1 48 GLU QB 55 no 100.0 0.0 0.000 0.002 0.002 12 4 no 0.102 0 0
1 48 GLU QG 54 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 49 GLN QB 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 49 GLN QG 94 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 50 LEU QB 53 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.033 0 0
1 50 LEU QD 25 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.024 0 0
1 51 LEU QB 93 no 100.0 0.0 0.000 0.020 0.020 8 0 no 0.230 0 0
1 51 LEU QD 5 no 100.0 0.0 0.000 0.005 0.005 30 16 no 0.119 0 0
1 52 ASN QB 69 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.055 0 0
1 53 ASP QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 CYS QB 79 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 55 SER QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 56 ILE QG 16 no 90.0 0.0 0.000 0.008 0.008 18 8 no 0.125 0 0
1 57 GLU QB 68 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 57 GLU QG 57 no 100.0 0.0 0.000 0.003 0.003 12 8 no 0.147 0 0
1 58 GLU QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 GLU QG 67 no 100.0 0.0 0.000 0.004 0.004 10 0 no 0.113 0 0
1 59 PHE QB 36 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 59 PHE QD 155 no 70.0 100.0 0.247 0.247 0.000 5 2 no 0.000 0 0
1 59 PHE QE 108 no 20.0 100.0 0.001 0.001 0.000 7 2 no 0.000 0 0
1 60 LYS QB 78 no 100.0 0.0 0.000 0.003 0.003 10 4 no 0.123 0 0
1 60 LYS QD 92 no 100.0 0.0 0.000 0.007 0.007 8 0 no 0.198 0 0
1 60 LYS QE 52 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.103 0 0
1 60 LYS QG 51 no 100.0 0.0 0.000 0.002 0.002 12 4 no 0.147 0 0
1 61 GLU QB 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 61 GLU QG 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.020 0 0
1 62 GLU QB 132 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 62 GLU QG 77 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.038 0 0
1 65 SER QB 91 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 66 GLN QB 149 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.044 0 0
1 66 GLN QG 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 67 GLN QG 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 68 PRO QG 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 69 ARG QB 131 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.110 0 0
1 69 ARG QD 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 69 ARG QG 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 70 PHE QB 35 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.110 0 0
1 70 PHE QD 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 PHE QE 153 no 90.0 99.9 0.624 0.624 0.001 5 0 no 0.053 0 0
1 71 ILE QG 66 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.034 0 0
1 72 LEU QB 41 no 100.0 100.0 0.759 0.759 0.000 13 4 no 0.000 0 0
1 72 LEU QD 4 no 100.0 0.0 0.000 0.000 0.000 30 16 no 0.035 0 0
1 73 LEU QB 65 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.064 0 0
1 73 LEU QD 90 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.047 0 0
1 74 SER QB 76 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.088 0 0
1 75 TRP QB 130 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.113 0 0
1 76 CYS QB 64 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 77 LYS QB 101 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 77 LYS QD 89 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.067 0 0
1 77 LYS QE 167 no 100.0 0.0 0.000 0.009 0.009 4 0 no 0.214 0 0
1 77 LYS QG 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 78 LYS QB 22 no 100.0 0.0 0.000 0.004 0.004 16 0 no 0.150 0 0
1 78 LYS QD 59 no 90.0 97.4 0.164 0.169 0.004 11 0 no 0.117 0 0
1 78 LYS QE 8 no 100.0 0.0 0.000 0.003 0.003 21 4 no 0.113 0 0
1 78 LYS QG 21 no 10.0 5.0 0.000 0.008 0.007 16 0 no 0.214 0 0
1 80 SER QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 81 ASP QB 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 GLU QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 GLU QG 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 83 ARG QB 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.012 0 0
1 83 ARG QD 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.048 0 0
1 83 ARG QG 88 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.023 0 0
1 84 ILE QG 148 no 100.0 0.0 0.000 0.003 0.003 6 4 no 0.113 0 0
1 85 SER QB 165 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.081 0 0
1 86 TYR QD 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 TYR QE 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 PRO QB 100 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.002 0 0
1 87 PRO QG 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 MET QB 63 no 100.0 0.0 0.000 0.002 0.002 10 0 no 0.107 0 0
1 88 MET QG 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 89 LEU QB 7 no 100.0 0.0 0.000 0.001 0.001 24 20 no 0.062 0 0
1 89 LEU QD 3 no 100.0 99.5 3.790 3.808 0.018 31 18 no 0.197 0 0
1 90 LEU QB 99 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 90 LEU QD 10 no 100.0 0.0 0.000 0.001 0.001 20 8 no 0.077 0 0
1 91 ILE QG 34 no 90.0 0.0 0.000 0.006 0.006 14 4 no 0.101 0 0
1 92 TYR QB 24 no 100.0 0.0 0.000 0.006 0.006 16 4 no 0.125 0 0
1 92 TYR QD 194 no 80.0 99.9 0.805 0.806 0.000 3 0 no 0.069 0 0
1 92 TYR QE 164 no 80.0 100.0 0.894 0.894 0.000 4 0 no 0.000 0 0
1 93 TYR QB 125 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 93 TYR QD 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 TYR QE 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 PRO QB 104 no 100.0 99.6 2.164 2.173 0.009 8 6 no 0.165 0 0
1 95 PRO QG 106 no 100.0 100.0 0.966 0.966 0.000 7 0 no 0.007 0 0
1 96 ASN QB 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 97 GLY QA 191 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.044 0 0
1 98 SER QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 PRO QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 PRO QG 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 GLU QB 39 no 100.0 0.0 0.000 0.004 0.004 14 8 no 0.137 0 0
1 101 GLU QG 123 no 20.0 19.2 0.007 0.035 0.029 6 0 no 0.518 0 1
1 102 LEU QB 122 no 100.0 0.0 0.000 0.011 0.011 6 0 no 0.193 0 0
1 102 LEU QD 82 no 100.0 100.0 3.139 3.140 0.001 9 0 no 0.111 0 0
1 103 GLN QB 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 103 GLN QG 120 no 100.0 0.0 0.000 0.010 0.010 6 0 no 0.164 0 0
1 104 MET QB 23 no 100.0 0.0 0.000 0.004 0.004 16 4 no 0.137 0 0
1 104 MET QG 50 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.012 0 0
1 105 LEU QB 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 105 LEU QD 43 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 106 TYR QD 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 TYR QE 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 GLY QA 193 no 90.0 99.9 1.636 1.638 0.001 3 0 no 0.091 0 0
1 109 SER QB 109 no 100.0 0.0 0.000 0.000 0.000 7 4 no 0.000 0 0
1 110 ARG QB 61 no 90.0 99.9 1.281 1.281 0.001 11 3 no 0.085 0 0
1 110 ARG QD 33 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.042 0 0
1 110 ARG QG 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 111 ASN QB 32 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.029 0 0
1 112 PHE QB 62 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 112 PHE QD 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 112 PHE QE 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 113 ILE QG 49 no 100.0 0.0 0.000 0.017 0.017 12 4 no 0.162 0 0
1 114 VAL QG 1 no 90.0 99.9 1.281 1.283 0.001 37 15 no 0.085 0 0
1 115 ASN QB 58 no 90.0 99.9 0.015 0.015 0.000 11 0 no 0.015 0 0
1 116 GLU QB 28 no 100.0 99.8 2.291 2.296 0.005 16 8 no 0.160 0 0
1 116 GLU QG 152 no 100.0 100.0 0.145 0.145 0.000 5 0 no 0.014 0 0
1 117 CYS QB 13 no 100.0 0.0 0.000 0.000 0.000 20 12 no 0.047 0 0
1 118 HIS QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 119 VAL QG 2 no 90.0 94.0 0.336 0.358 0.021 35 12 no 0.208 0 0
1 120 SER QB 190 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 121 LYS QB 27 no 100.0 0.0 0.000 0.001 0.001 16 8 no 0.058 0 0
1 121 LYS QD 26 no 90.0 25.1 0.000 0.001 0.001 16 8 no 0.078 0 0
1 121 LYS QE 9 no 100.0 0.0 0.000 0.008 0.008 20 8 no 0.132 0 0
1 121 LYS QG 38 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.101 0 0
1 122 ASN QB 15 no 100.0 0.0 0.000 0.007 0.007 18 8 no 0.101 0 0
1 124 GLU QB 151 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 124 GLU QG 87 no 100.0 0.0 0.000 0.010 0.010 8 0 no 0.228 0 0
1 125 ILE QG 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 126 ARG QB 147 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.061 0 0
1 126 ARG QD 159 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.069 0 0
1 126 ARG QG 48 no 100.0 0.0 0.000 0.002 0.002 12 4 no 0.131 0 0
1 127 ASP QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 128 ILE QG 117 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 129 ASP QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 130 GLU QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 130 GLU QG 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 131 ILE QG 115 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.025 0 0
1 133 ASP QB 192 no 100.0 100.0 0.000 0.000 0.000 3 0 no 0.059 0 0
1 134 GLU QB 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 134 GLU QG 105 no 100.0 0.0 0.000 0.008 0.008 7 0 no 0.175 0 0
1 135 LEU QB 75 no 100.0 0.0 0.000 0.017 0.017 10 4 no 0.180 0 0
1 135 LEU QD 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 136 LEU QB 86 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 136 LEU QD 40 no 100.0 0.0 0.000 0.000 0.000 13 4 no 0.000 0 0
1 137 GLU QB 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 137 GLU QG 112 no 30.0 100.0 0.081 0.081 0.000 6 0 no 0.000 0 0
1 138 SER QB 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 139 LYS QB 85 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.164 0 0
1 139 LYS QD 110 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 139 LYS QE 47 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.028 0 0
1 139 LYS QG 84 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.021 0 0
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