Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596924 | 2mzb RC | 25482 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mzb
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 215
_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 5.742
_Stereo_assign_list.Total_e_high_states 13.830
_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 1 MET QB 177 no 100.0 0.0 0.000 0.011 0.011 4 0 no 0.359 0 0
1 1 MET QG 78 no 100.0 0.0 0.000 0.005 0.005 8 0 no 0.183 0 0
1 2 ASP QB 129 no 100.0 0.0 0.000 0.047 0.047 6 0 no 0.263 0 0
1 4 LEU QB 176 no 100.0 0.0 0.000 0.038 0.038 4 0 no 0.261 0 0
1 4 LEU QD 10 no 20.0 0.0 0.000 0.087 0.087 18 4 no 0.339 0 0
1 5 ILE QG 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 MET QB 128 no 100.0 0.0 0.000 0.008 0.008 6 0 no 0.208 0 0
1 6 MET QG 175 no 100.0 0.0 0.000 0.118 0.118 4 0 no 0.435 0 0
1 8 GLY QA 174 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.115 0 0
1 21 LEU QB 138 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 21 LEU QD 1 no 80.0 0.0 0.000 0.238 0.238 36 12 no 0.551 0 2
1 22 ILE QG 77 no 100.0 0.0 0.000 0.009 0.009 8 0 no 0.291 0 0
1 23 LYS QB 214 no 100.0 0.0 0.000 0.021 0.021 2 0 no 0.288 0 0
1 23 LYS QG 173 no 0.0 0.0 0.000 0.037 0.037 4 0 no 0.257 0 0
1 24 LEU QB 137 no 100.0 0.0 0.000 0.003 0.003 6 4 no 0.157 0 0
1 24 LEU QD 33 no 100.0 0.0 0.000 0.019 0.019 12 4 no 0.137 0 0
1 25 CYS QB 181 no 100.0 0.0 0.000 0.006 0.006 4 4 no 0.177 0 0
1 27 ARG QB 96 no 100.0 0.0 0.000 0.008 0.008 8 4 no 0.180 0 0
1 27 ARG QD 172 no 100.0 0.0 0.000 0.026 0.026 4 0 no 0.356 0 0
1 27 ARG QG 76 no 0.0 0.0 0.000 0.129 0.129 8 0 no 0.422 0 0
1 28 CYS QB 24 no 0.0 0.0 0.000 0.199 0.199 14 4 no 0.551 0 2
1 29 LEU QB 95 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 29 LEU QD 12 no 0.0 0.0 0.000 0.018 0.018 18 8 no 0.266 0 0
1 30 ILE QG 75 no 100.0 0.0 0.000 0.012 0.012 8 0 no 0.128 0 0
1 31 ASP QB 94 no 100.0 0.0 0.000 0.012 0.012 8 4 no 0.363 0 0
1 32 TYR QB 127 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.126 0 0
1 33 VAL QG 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 34 VAL QG 23 no 100.0 0.0 0.000 0.045 0.045 14 4 no 0.307 0 0
1 35 SER QB 136 no 100.0 0.0 0.000 0.005 0.005 6 4 no 0.092 0 0
1 36 PRO QB 213 no 100.0 99.8 0.241 0.241 0.001 2 0 no 0.045 0 0
1 36 PRO QD 59 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 36 PRO QG 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 LEU QB 58 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 37 LEU QD 32 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 38 LEU QB 61 no 100.0 0.0 0.000 0.044 0.044 10 8 no 0.307 0 0
1 38 LEU QD 31 no 100.0 0.0 0.000 0.050 0.050 12 4 no 0.426 0 0
1 39 LYS QB 125 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.107 0 0
1 39 LYS QG 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 40 SER QB 74 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.055 0 0
1 41 LYS QB 26 no 100.0 0.0 0.000 0.033 0.033 14 12 no 0.490 0 0
1 41 LYS QE 180 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 41 LYS QG 171 no 0.0 0.0 0.000 0.026 0.026 4 0 no 0.209 0 0
1 42 VAL QG 4 no 90.0 0.0 0.000 0.090 0.090 22 4 no 0.357 0 0
1 43 ASN QB 30 no 100.0 0.0 0.000 0.024 0.024 12 4 no 0.312 0 0
1 44 ASN QB 57 no 100.0 0.0 0.000 0.062 0.062 10 4 no 0.388 0 0
1 44 ASN QD 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.026 0 0
1 46 PHE QB 45 no 100.0 0.0 0.000 0.018 0.018 10 0 no 0.218 0 0
1 47 ILE QG 73 no 100.0 42.0 0.119 0.284 0.165 8 0 no 0.445 0 0
1 50 SER QB 179 no 100.0 0.0 0.000 0.002 0.002 4 4 no 0.111 0 0
1 51 PRO QD 93 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.111 0 0
1 51 PRO QG 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 ASN QB 169 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.066 0 0
1 54 PRO QB 210 no 100.0 69.3 0.329 0.474 0.146 2 0 no 0.396 0 0
1 54 PRO QD 72 no 100.0 0.0 0.000 0.342 0.342 8 0 no 0.524 0 9
1 55 LYS QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 55 LYS QG 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 57 LYS QB 56 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 57 LYS QD 55 no 100.0 0.0 0.000 0.003 0.003 10 4 no 0.133 0 0
1 57 LYS QE 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.036 0 0
1 57 LYS QG 92 no 100.0 0.0 0.000 0.111 0.111 8 4 no 0.488 0 0
1 58 GLU QB 123 no 100.0 0.0 0.000 0.012 0.012 6 0 no 0.175 0 0
1 58 GLU QG 122 no 100.0 0.0 0.000 0.024 0.024 6 0 no 0.479 0 0
1 59 TYR QB 54 no 100.0 0.0 0.000 0.004 0.004 10 4 no 0.098 0 0
1 60 ILE QG 44 no 100.0 0.0 0.000 0.002 0.002 10 0 no 0.053 0 0
1 61 ASN QB 53 no 100.0 0.0 0.000 0.024 0.024 10 4 no 0.310 0 0
1 61 ASN QD 168 no 100.0 0.0 0.000 0.033 0.033 4 0 no 0.234 0 0
1 62 SER QB 121 no 0.0 0.0 0.000 0.050 0.050 6 0 no 0.399 0 0
1 64 TYR QB 43 no 100.0 0.0 0.000 0.005 0.005 10 0 no 0.164 0 0
1 65 LYS QB 120 no 0.0 0.0 0.000 0.086 0.086 6 0 no 0.368 0 0
1 65 LYS QD 119 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.063 0 0
1 65 LYS QG 118 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.215 0 0
1 66 ASP QB 167 no 90.0 0.0 0.000 0.005 0.005 4 0 no 0.094 0 0
1 67 TYR QB 29 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.069 0 0
1 68 LYS QB 135 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 68 LYS QD 206 no 100.0 0.0 0.000 0.011 0.011 2 0 no 0.458 0 0
1 68 LYS QE 91 no 100.0 0.0 0.000 0.041 0.041 8 4 no 0.359 0 0
1 68 LYS QG 166 no 100.0 0.0 0.000 0.007 0.007 4 0 no 0.193 0 0
1 69 ASN QB 79 no 95.0 0.0 0.000 0.012 0.012 8 2 no 0.131 0 0
1 69 ASN QD 17 no 100.0 85.9 1.252 1.459 0.206 15 2 no 0.394 0 0
1 70 ILE QG 28 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.069 0 0
1 71 VAL QG 9 no 100.0 0.0 0.000 0.103 0.103 18 4 no 0.388 0 0
1 72 VAL QG 11 no 100.0 0.0 0.000 0.011 0.011 18 8 no 0.135 0 0
1 73 ILE QG 42 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 74 ASP QB 117 no 100.0 48.0 0.232 0.483 0.251 6 0 no 0.511 0 2
1 76 SER QB 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 78 LYS QB 116 no 100.0 0.0 0.000 0.010 0.010 6 0 no 0.200 0 0
1 78 LYS QD 205 no 100.0 0.0 0.000 0.022 0.022 2 0 no 0.312 0 0
1 80 TYR QB 204 no 100.0 0.0 0.000 0.036 0.036 2 0 no 0.238 0 0
1 81 ILE QG 71 no 100.0 0.0 0.000 0.082 0.082 8 0 no 0.412 0 0
1 82 GLU QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 GLU QG 115 no 100.0 0.0 0.000 0.082 0.082 6 0 no 0.312 0 0
1 83 ASP QB 41 no 100.0 0.0 0.000 0.004 0.004 10 0 no 0.170 0 0
1 84 LEU QB 52 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 84 LEU QD 25 no 0.0 0.0 0.000 0.051 0.051 14 8 no 0.290 0 0
1 85 ASN QB 114 no 100.0 0.0 0.000 0.018 0.018 6 0 no 0.206 0 0
1 85 ASN QD 113 no 100.0 97.6 1.744 1.786 0.042 6 0 no 0.368 0 0
1 86 GLU QB 112 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.170 0 0
1 86 GLU QG 111 no 5.0 0.0 0.000 0.077 0.077 6 0 no 0.502 0 1
1 87 CYS QB 22 no 100.0 0.0 0.000 0.018 0.018 14 4 no 0.216 0 0
1 88 ILE QG 70 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 90 TYR QB 163 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.104 0 0
1 91 PHE QB 162 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.125 0 0
1 92 SER QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 GLU QB 178 no 95.0 99.6 0.455 0.457 0.002 4 3 no 0.182 0 0
1 93 GLU QG 134 no 0.0 0.0 0.000 0.076 0.076 6 4 no 0.369 0 0
1 94 PRO QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 94 PRO QD 60 no 100.0 90.0 0.712 0.792 0.079 10 7 no 0.369 0 0
1 94 PRO QG 202 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.121 0 0
1 95 PHE QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.030 0 0
1 96 LEU QB 51 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 96 LEU QD 21 no 0.0 0.0 0.000 0.028 0.028 14 4 no 0.350 0 0
1 97 VAL QG 6 no 95.0 0.0 0.000 0.047 0.047 20 12 no 0.290 0 0
1 98 VAL QG 18 no 100.0 0.0 0.000 0.219 0.219 14 0 no 0.460 0 0
1 99 SER QB 159 no 100.0 0.0 0.000 0.008 0.008 4 0 no 0.157 0 0
1 100 SER QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.061 0 0
1 101 ASP QB 90 no 100.0 0.0 0.000 0.027 0.027 8 4 no 0.266 0 0
1 102 LEU QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 102 LEU QD 110 no 0.0 0.0 0.000 0.006 0.006 6 0 no 0.179 0 0
1 105 LEU QD 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 LYS QG 199 no 100.0 0.0 0.000 0.010 0.010 2 0 no 0.358 0 0
1 109 ILE QG 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.057 0 0
1 110 ILE QG 69 no 95.0 98.8 0.244 0.247 0.003 8 0 no 0.235 0 0
1 111 ASN QB 89 no 0.0 0.0 0.000 0.004 0.004 8 4 no 0.087 0 0
1 111 ASN QD 16 no 0.0 0.0 0.000 0.060 0.060 16 8 no 0.490 0 0
1 112 SER QB 108 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.206 0 0
1 113 ILE QG 40 no 100.0 96.2 0.727 0.756 0.029 10 0 no 0.258 0 0
1 114 VAL QG 8 no 0.0 0.0 0.000 0.003 0.003 18 4 no 0.129 0 0
1 115 ASP QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 116 TYR QB 68 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.028 0 0
1 117 PHE QB 15 no 100.0 0.0 0.000 0.006 0.006 16 8 no 0.138 0 0
1 118 TYR QB 107 no 100.0 0.0 0.000 0.014 0.014 6 0 no 0.210 0 0
1 119 CYS QB 106 no 100.0 0.0 0.000 0.033 0.033 6 0 no 0.200 0 0
1 120 ILE QG 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 121 LYS QB 88 no 100.0 0.0 0.000 0.019 0.019 8 4 no 0.206 0 0
1 121 LYS QE 50 no 100.0 0.0 0.000 0.118 0.118 10 4 no 0.455 0 0
1 121 LYS QG 67 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.149 0 0
1 123 LYS QB 156 no 100.0 0.0 0.000 0.015 0.015 4 0 no 0.146 0 0
1 123 LYS QG 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 125 PRO QD 104 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.109 0 0
1 125 PRO QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 126 ASP QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.026 0 0
1 127 VAL QG 20 no 100.0 0.0 0.000 0.007 0.007 14 4 no 0.122 0 0
1 128 GLU QG 153 no 100.0 0.0 0.000 0.013 0.013 4 0 no 0.160 0 0
1 130 LEU QB 34 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.020 0 0
1 130 LEU QD 2 no 10.0 0.0 0.000 0.034 0.034 28 12 no 0.207 0 0
1 132 VAL QG 66 no 100.0 0.0 0.000 0.007 0.007 8 0 no 0.211 0 0
1 133 MET QB 152 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.086 0 0
1 133 MET QG 39 no 0.0 0.0 0.000 0.076 0.076 10 0 no 0.416 0 0
1 134 ILE QG 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 135 PRO QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 PRO QD 150 no 0.0 0.0 0.000 0.009 0.009 4 0 no 0.289 0 0
1 136 LYS QB 133 no 100.0 0.0 0.000 0.002 0.002 6 4 no 0.099 0 0
1 136 LYS QG 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 137 GLU QG 103 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.096 0 0
1 138 LYS QB 149 no 0.0 0.0 0.000 0.006 0.006 4 0 no 0.166 0 0
1 138 LYS QG 195 no 100.0 0.0 0.000 0.072 0.072 2 0 no 0.440 0 0
1 139 TYR QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 141 ASN QB 132 no 0.0 0.0 0.000 0.030 0.030 6 4 no 0.331 0 0
1 142 PRO QD 87 no 100.0 0.0 0.000 0.030 0.030 8 4 no 0.331 0 0
1 149 LEU QB 86 no 100.0 0.0 0.000 0.003 0.003 8 4 no 0.142 0 0
1 149 LEU QD 85 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.025 0 0
1 150 VAL QG 49 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.099 0 0
1 151 PRO QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 153 GLY QA 193 no 100.0 0.0 0.000 0.006 0.006 2 0 no 0.232 0 0
1 154 ILE QG 139 no 100.0 97.1 1.059 1.091 0.032 5 0 no 0.401 0 0
1 155 ASN QB 48 no 100.0 0.0 0.000 0.004 0.004 10 4 no 0.172 0 0
1 155 ASN QD 13 no 100.0 80.9 0.584 0.722 0.138 16 4 no 0.383 0 0
1 156 VAL QG 3 no 100.0 0.0 0.000 0.047 0.047 24 8 no 0.266 0 0
1 157 VAL QG 7 no 85.0 0.0 0.000 0.111 0.111 18 4 no 0.332 0 0
1 158 SER QB 131 no 100.0 0.0 0.000 0.013 0.013 6 4 no 0.243 0 0
1 159 PRO QD 102 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.151 0 0
1 160 LYS QD 192 no 100.0 0.0 0.000 0.008 0.008 2 0 no 0.219 0 0
1 160 LYS QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 163 TYR QB 190 no 0.0 0.0 0.000 0.010 0.010 2 0 no 0.274 0 0
1 164 GLN QB 147 no 0.0 0.0 0.000 0.007 0.007 4 0 no 0.133 0 0
1 164 GLN QE 5 no 85.0 0.0 0.000 0.046 0.046 20 12 no 0.268 0 0
1 164 GLN QG 84 no 100.0 0.0 0.000 0.103 0.103 8 4 no 0.419 0 0
1 165 LYS QB 146 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.091 0 0
1 165 LYS QG 101 no 100.0 0.0 0.000 0.008 0.008 6 0 no 0.186 0 0
1 166 GLU QB 145 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.078 0 0
1 166 GLU QG 38 no 100.0 0.0 0.000 0.006 0.006 10 0 no 0.150 0 0
1 167 GLU QB 35 no 95.0 100.0 0.038 0.038 0.000 11 0 no 0.000 0 0
1 167 GLU QG 19 no 0.0 0.0 0.000 0.115 0.115 14 4 no 0.440 0 0
1 168 ILE QG 65 no 100.0 95.7 0.351 0.367 0.016 8 0 no 0.153 0 0
1 169 MET QB 83 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 169 MET QG 144 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.087 0 0
1 170 VAL QG 37 no 0.0 0.0 0.000 0.012 0.012 10 0 no 0.200 0 0
1 171 ILE QG 100 no 100.0 0.0 0.000 0.014 0.014 6 0 no 0.171 0 0
1 172 ASP QB 143 no 100.0 0.0 0.000 0.020 0.020 4 0 no 0.349 0 0
1 173 GLU QB 99 no 100.0 0.0 0.000 0.048 0.048 6 0 no 0.537 0 1
1 173 GLU QG 36 no 0.0 0.0 0.000 0.073 0.073 10 0 no 0.384 0 0
1 174 LEU QB 82 no 100.0 0.0 0.000 0.008 0.008 8 4 no 0.141 0 0
1 174 LEU QD 47 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.105 0 0
1 175 ILE QG 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 179 ASN QB 141 no 100.0 0.0 0.000 0.021 0.021 4 0 no 0.347 0 0
1 181 LYS QD 189 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.192 0 0
1 181 LYS QE 188 no 0.0 0.0 0.000 0.066 0.066 2 0 no 0.492 0 0
1 182 ASP QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.023 0 0
1 183 ASP QB 64 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.245 0 0
1 184 LEU QB 130 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 184 LEU QD 27 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 185 LYS QB 186 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.194 0 0
1 186 LEU QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.038 0 0
1 186 LEU QD 63 no 100.0 0.0 0.000 0.022 0.022 8 0 no 0.236 0 0
1 188 GLU QB 98 no 100.0 0.0 0.000 0.008 0.008 6 0 no 0.210 0 0
1 188 GLU QG 97 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.103 0 0
1 189 MET QB 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.033 0 0
1 189 MET QG 62 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.046 0 0
1 190 LEU QB 81 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 190 LEU QD 46 no 100.0 0.0 0.000 0.006 0.006 10 4 no 0.181 0 0
1 191 LEU QB 80 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 191 LEU QD 14 no 80.0 0.0 0.000 0.088 0.088 16 8 no 0.232 0 0
1 192 LYS QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 196 LEU QB 183 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.083 0 0
1 196 LEU QD 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_