Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438800 | 2k5g RC | 15835 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2k5g
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 218
_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 0.585
_Stereo_assign_list.Total_e_high_states 11.821
_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 SER QB 179 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.021 0 0
1 8 PHE QB 154 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.040 0 0
1 9 PRO QB 215 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.129 0 0
1 9 PRO QD 117 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 10 ASP QB 178 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 19 GLN QG 148 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.120 0 0
1 20 SER QB 50 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.027 0 0
1 21 ILE QG 116 no 100.0 0.0 0.000 0.008 0.008 8 4 no 0.129 0 0
1 22 ARG QB 89 no 100.0 0.0 0.000 0.001 0.001 10 8 no 0.066 0 0
1 22 ARG QD 57 no 100.0 0.0 0.000 0.002 0.002 12 8 no 0.099 0 0
1 22 ARG QG 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 PHE QB 34 no 90.0 99.3 0.107 0.107 0.001 16 10 no 0.083 0 0
1 24 GLU QB 115 no 0.0 0.0 0.000 0.000 0.000 8 4 no 0.056 0 0
1 24 GLU QG 114 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 25 ARG QB 177 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 25 ARG QG 176 no 100.0 0.0 0.000 0.007 0.007 4 0 no 0.254 0 0
1 26 LEU QB 83 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 26 LEU QD 5 no 95.0 100.0 0.327 0.327 0.000 40 16 no 0.000 0 0
1 27 LEU QB 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.054 0 0
1 27 LEU QD 32 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 28 PRO QB 212 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.124 0 0
1 28 PRO QD 59 no 100.0 0.0 0.000 0.000 0.000 12 10 no 0.000 0 0
1 28 PRO QG 86 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 29 GLY QA 88 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.000 0 0
1 30 PRO QB 175 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 30 PRO QD 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 PRO QG 174 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.060 0 0
1 31 ILE QG 56 no 100.0 0.0 0.000 0.001 0.001 12 8 no 0.110 0 0
1 32 GLU QB 147 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.015 0 0
1 32 GLU QG 101 no 0.0 0.0 0.000 0.001 0.001 8 0 no 0.086 0 0
1 33 ARG QB 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 33 ARG QD 104 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.017 0 0
1 33 ARG QG 103 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.046 0 0
1 34 VAL QG 15 no 100.0 0.0 0.000 0.000 0.000 28 16 no 0.000 0 0
1 35 TRP QB 102 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 37 TRP QB 150 no 100.0 57.1 0.002 0.003 0.001 6 2 no 0.137 0 0
1 38 LEU QB 90 no 100.0 98.7 0.372 0.377 0.005 9 0 no 0.084 0 0
1 38 LEU QD 8 no 100.0 0.0 0.000 0.000 0.000 32 10 no 0.000 0 0
1 40 ASP QB 11 no 100.0 0.0 0.000 0.004 0.004 30 12 no 0.148 0 0
1 42 ASP QB 146 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 43 LYS QB 43 no 100.0 0.0 0.000 0.006 0.006 14 8 no 0.342 0 0
1 43 LYS QD 28 no 100.0 0.0 0.000 0.007 0.007 16 4 no 0.173 0 0
1 43 LYS QE 82 no 100.0 0.0 0.000 0.034 0.034 10 4 no 0.391 0 0
1 43 LYS QG 113 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 44 ARG QB 145 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 44 ARG QG 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 TRP QB 123 no 25.0 99.6 0.015 0.015 0.000 7 0 no 0.030 0 0
1 48 LEU QB 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.096 0 0
1 48 LEU QD 21 no 60.0 100.0 0.036 0.036 0.000 23 0 no 0.000 0 0
1 50 GLY QA 172 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.148 0 0
1 51 GLY QA 208 no 100.0 0.0 0.000 0.005 0.005 2 0 no 0.193 0 0
1 52 GLU QB 144 no 0.0 0.0 0.000 0.030 0.030 6 0 no 0.251 0 0
1 52 GLU QG 143 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.128 0 0
1 53 LEU QB 91 no 100.0 97.4 0.138 0.142 0.004 9 4 no 0.159 0 0
1 53 LEU QD 25 no 70.0 100.0 0.917 0.917 0.000 19 6 no 0.000 0 0
1 54 PRO QB 155 no 5.0 100.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 54 PRO QD 37 no 100.0 0.0 0.000 0.000 0.000 16 12 no 0.000 0 0
1 54 PRO QG 85 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 55 ARG QB 142 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.142 0 0
1 55 ARG QD 141 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.176 0 0
1 55 ARG QG 140 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.129 0 0
1 56 GLN QB 87 no 100.0 0.0 0.000 0.009 0.009 10 8 no 0.151 0 0
1 56 GLN QG 24 no 95.0 0.0 0.000 0.018 0.018 20 16 no 0.154 0 0
1 57 PRO QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.031 0 0
1 57 PRO QD 36 no 100.0 0.0 0.000 0.012 0.012 16 12 no 0.154 0 0
1 58 GLY QA 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 GLN QB 55 no 100.0 0.0 0.000 0.002 0.002 12 8 no 0.070 0 0
1 59 GLN QE 120 no 100.0 0.0 0.000 0.001 0.001 8 8 no 0.125 0 0
1 59 GLN QG 31 no 0.0 0.0 0.000 0.005 0.005 16 8 no 0.122 0 0
1 61 PHE QB 124 no 100.0 89.3 0.129 0.144 0.015 7 3 no 0.204 0 0
1 62 GLU QB 112 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 62 GLU QG 81 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 63 LEU QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 63 LEU QD 63 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 64 HIS QB 100 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.057 0 0
1 65 PHE QB 99 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.065 0 0
1 66 ASN QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 ASN QD 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 67 HIS QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 LEU QB 169 no 85.0 16.3 0.001 0.004 0.004 4 0 no 0.270 0 0
1 70 LEU QD 27 no 20.0 100.0 0.093 0.093 0.000 16 4 no 0.000 0 0
1 73 GLU QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 PRO QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 PRO QD 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 76 PRO QG 167 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.079 0 0
1 78 ARG QB 80 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.105 0 0
1 78 ARG QD 111 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 78 ARG QG 139 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 79 TYR QB 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 81 GLN QB 79 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.026 0 0
1 81 GLN QE 181 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 81 GLN QG 62 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.049 0 0
1 82 TYR QB 166 no 70.0 61.1 0.006 0.010 0.004 4 0 no 0.153 0 0
1 83 ASP QB 98 no 0.0 0.0 0.000 0.002 0.002 8 0 no 0.104 0 0
1 84 ARG QB 201 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.075 0 0
1 84 ARG QD 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 ARG QG 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 85 PRO QB 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 86 ILE QG 137 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 87 VAL QG 30 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 89 ARG QB 60 no 90.0 68.0 0.021 0.030 0.010 11 2 no 0.160 0 0
1 89 ARG QD 67 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 89 ARG QG 136 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.142 0 0
1 90 HIS QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 LEU QB 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.015 0 0
1 92 LEU QD 20 no 100.0 0.0 0.000 0.000 0.000 24 18 no 0.000 0 0
1 93 LEU QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 LEU QD 97 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 94 ARG QB 54 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.046 0 0
1 94 ARG QD 58 no 100.0 0.0 0.000 0.000 0.000 12 10 no 0.000 0 0
1 94 ARG QG 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 95 CYS QB 118 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 96 GLU QB 218 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 96 GLU QG 164 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.131 0 0
1 97 PRO QB 122 no 20.0 99.8 0.015 0.015 0.000 7 0 no 0.017 0 0
1 97 PRO QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 98 PRO QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 ARG QB 53 no 100.0 0.0 0.000 0.021 0.021 12 8 no 0.347 0 0
1 99 ARG QD 29 no 100.0 0.0 0.000 0.018 0.018 16 8 no 0.347 0 0
1 99 ARG QG 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 100 VAL QG 9 no 100.0 0.0 0.000 0.000 0.000 32 24 no 0.000 0 0
1 101 LEU QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 LEU QD 10 no 100.0 100.0 1.654 1.654 0.000 30 7 no 0.000 0 0
1 103 LEU QB 66 no 100.0 0.0 0.000 0.001 0.001 10 2 no 0.068 0 0
1 103 LEU QD 18 no 90.0 100.0 0.127 0.127 0.000 24 2 no 0.000 0 0
1 105 TRP QB 217 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 106 GLY QA 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 107 GLY QA 119 no 100.0 0.0 0.000 0.001 0.001 8 8 no 0.084 0 0
1 111 GLU QB 78 no 85.0 73.2 0.063 0.086 0.023 10 4 no 0.201 0 0
1 111 GLU QG 77 no 100.0 0.0 0.000 0.017 0.017 10 4 no 0.201 0 0
1 113 PRO QB 110 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.098 0 0
1 113 PRO QD 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 113 PRO QG 109 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.048 0 0
1 114 SER QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 115 GLU QB 45 no 100.0 0.0 0.000 0.010 0.010 12 2 no 0.246 0 0
1 115 GLU QG 44 no 0.0 0.0 0.000 0.018 0.018 12 2 no 0.245 0 0
1 116 VAL QG 3 no 15.0 100.0 0.007 0.007 0.000 43 10 no 0.000 0 0
1 117 LEU QB 133 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.138 0 0
1 117 LEU QD 7 no 100.0 100.0 1.261 1.261 0.000 32 10 no 0.000 0 0
1 118 PHE QB 26 no 100.0 100.0 0.009 0.009 0.000 18 7 no 0.000 0 0
1 119 GLU QB 108 no 0.0 0.0 0.000 0.000 0.000 8 4 no 0.041 0 0
1 119 GLU QG 42 no 100.0 0.0 0.000 0.001 0.001 14 8 no 0.075 0 0
1 120 LEU QB 132 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.080 0 0
1 120 LEU QD 6 no 100.0 100.0 3.831 3.831 0.000 36 8 no 0.000 0 0
1 121 SER QB 76 no 100.0 0.0 0.000 0.018 0.018 10 4 no 0.214 0 0
1 122 GLU QB 22 no 100.0 0.0 0.000 0.001 0.001 22 8 no 0.110 0 0
1 122 GLU QG 61 no 0.0 0.0 0.000 0.015 0.015 10 0 no 0.359 0 0
1 124 GLY QA 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.051 0 0
1 125 GLU QB 162 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.053 0 0
1 125 GLU QG 131 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 126 GLN QB 41 no 100.0 0.0 0.000 0.004 0.004 14 8 no 0.155 0 0
1 126 GLN QE 35 no 100.0 0.0 0.000 0.003 0.003 16 12 no 0.175 0 0
1 126 GLN QG 49 no 100.0 0.0 0.000 0.013 0.013 12 4 no 0.160 0 0
1 127 VAL QG 13 no 100.0 0.0 0.000 0.000 0.000 30 20 no 0.000 0 0
1 128 ARG QB 51 no 0.0 0.0 0.000 0.007 0.007 12 6 no 0.157 0 0
1 128 ARG QD 65 no 100.0 0.0 0.000 0.004 0.004 10 2 no 0.112 0 0
1 128 ARG QG 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 129 LEU QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 129 LEU QD 12 no 100.0 0.0 0.000 0.000 0.000 30 16 no 0.000 0 0
1 130 VAL QG 19 no 100.0 0.0 0.000 0.000 0.000 24 16 no 0.000 0 0
1 131 LEU QB 75 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.083 0 0
1 131 LEU QD 2 no 100.0 0.0 0.000 0.000 0.000 44 28 no 0.000 0 0
1 133 HIS QB 84 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 135 ARG QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 135 ARG QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 ARG QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 136 LEU QD 4 no 100.0 100.0 0.616 0.616 0.000 40 12 no 0.000 0 0
1 138 ASP QB 158 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.091 0 0
1 139 ARG QB 153 no 0.0 0.0 0.000 0.001 0.001 6 4 no 0.122 0 0
1 139 ARG QD 74 no 100.0 0.0 0.000 0.003 0.003 10 4 no 0.168 0 0
1 139 ARG QG 130 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.175 0 0
1 142 MET QB 48 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 142 MET QG 73 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 143 LEU QB 96 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.095 0 0
1 143 LEU QD 14 no 100.0 0.0 0.000 0.000 0.000 28 16 no 0.000 0 0
1 144 ASP QB 64 no 100.0 0.0 0.000 0.004 0.004 10 2 no 0.174 0 0
1 145 VAL QG 16 no 100.0 100.0 0.320 0.320 0.000 27 4 no 0.000 0 0
1 148 GLY QA 216 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 149 TRP QB 107 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.182 0 0
1 150 HIS QB 129 no 0.0 0.0 0.000 0.012 0.012 6 0 no 0.202 0 0
1 152 HIS QB 95 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.089 0 0
1 153 LEU QB 72 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 153 LEU QD 23 no 5.0 100.0 0.012 0.012 0.000 21 6 no 0.000 0 0
1 155 VAL QG 52 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 156 LEU QB 128 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.089 0 0
1 156 LEU QD 33 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.000 0 0
1 158 GLY QA 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 159 LYS QB 106 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 159 LYS QE 152 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 159 LYS QG 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 160 LEU QB 39 no 95.0 97.6 0.189 0.194 0.005 15 6 no 0.084 0 0
1 160 LEU QD 1 no 90.0 100.0 0.462 0.462 0.000 56 24 no 0.000 0 0
1 163 GLN QB 71 no 100.0 0.0 0.000 0.006 0.006 10 4 no 0.140 0 0
1 163 GLN QE 151 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 163 GLN QG 94 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.079 0 0
1 165 PRO QD 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 167 PRO QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 168 PHE QB 70 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 169 TRP QB 157 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.128 0 0
1 172 LEU QB 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 172 LEU QD 17 no 70.0 100.0 0.371 0.371 0.000 25 4 no 0.000 0 0
1 174 GLN QB 38 no 50.0 19.0 0.007 0.037 0.030 15 6 no 0.155 0 0
1 174 GLN QE 149 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 174 GLN QG 47 no 100.0 0.0 0.000 0.021 0.021 12 4 no 0.129 0 0
1 176 GLU QB 126 no 100.0 0.0 0.000 0.032 0.032 6 0 no 0.206 0 0
1 176 GLU QG 40 no 100.0 0.0 0.000 0.002 0.002 14 6 no 0.110 0 0
1 177 GLN QB 69 no 100.0 0.0 0.000 0.012 0.012 10 4 no 0.165 0 0
1 177 GLN QE 180 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 177 GLN QG 93 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 178 ASP QB 125 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.071 0 0
1 179 TYR QB 105 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 180 GLU QB 68 no 100.0 0.0 0.000 0.013 0.013 10 4 no 0.180 0 0
1 180 GLU QG 46 no 100.0 0.0 0.000 0.002 0.002 12 4 no 0.115 0 0
1 181 GLN QB 121 no 95.0 96.2 0.125 0.130 0.005 7 0 no 0.116 0 0
1 181 GLN QG 92 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.088 0 0
1 182 ARG QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 182 ARG QG 156 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.178 0 0
1 183 LEU QD 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_