NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576333 |
2mhs   |
19654 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mhs
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 191
_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 0.116
_Stereo_assign_list.Total_e_high_states 351.522
_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 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 2 GLU QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 ASP QB 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 4 GLU QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 5 LEU QB 121 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 5 LEU QD 13 no 100.0 100.0 20.225 20.227 0.001 46 15 no 0.083 0 0
1 6 TYR QB 77 no 100.0 100.0 0.590 0.590 0.000 12 6 no 0.000 0 0
1 7 ARG QB 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 7 ARG QD 143 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.024 0 0
1 7 ARG QG 142 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.017 0 0
1 8 GLN QB 89 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.046 0 0
1 8 GLN QE 45 no 0.0 0.0 0.000 0.000 0.000 16 8 no 0.060 0 0
1 8 GLN QG 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 9 SER QB 84 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 10 LEU QB 72 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 10 LEU QD 19 no 100.0 100.0 10.285 10.285 0.000 38 8 no 0.026 0 0
1 11 GLU QG 105 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.020 0 0
1 12 ILE QG 36 no 100.0 100.0 2.632 2.633 0.000 18 1 no 0.044 0 0
1 13 ILE QG 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 14 SER QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 ARG QB 76 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.079 0 0
1 15 ARG QD 90 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.069 0 0
1 15 ARG QG 95 no 95.0 100.0 0.178 0.178 0.000 9 2 no 0.000 0 0
1 16 TYR QB 75 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 17 LEU QB 47 no 100.0 100.0 1.319 1.319 0.000 15 4 no 0.000 0 0
1 17 LEU QD 18 no 100.0 100.0 5.362 5.363 0.001 40 10 no 0.061 0 0
1 18 ARG QD 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 ARG QG 141 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.057 0 0
1 19 GLU QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 19 GLU QG 68 no 100.0 0.0 0.000 0.001 0.001 12 2 no 0.107 0 0
1 20 GLN QB 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 GLN QE 62 no 95.0 99.8 1.499 1.502 0.003 13 2 no 0.205 0 0
1 20 GLN QG 140 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.022 0 0
1 25 LYS QG 104 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 26 ASP QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 28 LYS QB 53 no 100.0 100.0 0.252 0.252 0.000 15 6 no 0.000 0 0
1 28 LYS QD 175 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 28 LYS QG 120 no 0.0 0.0 0.000 0.003 0.003 8 4 no 0.101 0 0
1 29 PRO QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 29 PRO QD 78 no 0.0 0.0 0.000 0.003 0.003 12 8 no 0.101 0 0
1 30 MET QB 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.064 0 0
1 30 MET QG 139 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.134 0 0
1 31 GLY QA 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 SER QB 148 no 0.0 0.0 0.000 0.001 0.001 6 4 no 0.063 0 0
1 37 SER QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 ARG QG 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 LYS QB 71 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.079 0 0
1 41 LEU QB 88 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 41 LEU QD 3 no 100.0 100.0 14.009 14.010 0.001 57 18 no 0.069 0 0
1 42 GLU QB 138 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 42 GLU QG 103 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.022 0 0
1 44 LEU QB 52 no 100.0 100.0 0.236 0.236 0.000 15 6 no 0.000 0 0
1 44 LEU QD 1 no 100.0 100.0 14.007 14.009 0.001 60 13 no 0.093 0 0
1 45 ARG QG 102 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.054 0 0
1 46 ARG QB 114 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 46 ARG QD 174 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 46 ARG QG 113 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.015 0 0
1 47 VAL QG 7 no 100.0 100.0 6.348 6.350 0.002 50 17 no 0.111 0 0
1 48 GLY QA 43 no 100.0 100.0 0.800 0.800 0.000 16 7 no 0.021 0 0
1 49 ASP QB 137 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 50 GLY QA 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 51 VAL QG 25 no 100.0 100.0 7.840 7.840 0.001 26 7 no 0.079 0 0
1 52 GLN QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 52 GLN QE 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.024 0 0
1 52 GLN QG 79 no 35.0 100.0 0.033 0.033 0.000 11 0 no 0.000 0 0
1 53 ARG QG 136 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 54 ASN QB 135 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 54 ASN QD 112 no 100.0 0.0 0.000 0.002 0.002 8 2 no 0.079 0 0
1 55 HIS QB 93 no 100.0 100.0 1.454 1.454 0.000 9 1 no 0.000 0 0
1 56 GLU QB 61 no 100.0 100.0 2.416 2.416 0.000 13 0 no 0.000 0 0
1 56 GLU QG 27 no 100.0 100.0 0.417 0.418 0.000 24 6 no 0.021 0 0
1 59 PHE QB 91 no 100.0 100.0 0.067 0.067 0.000 9 0 no 0.000 0 0
1 60 GLN QB 94 no 100.0 100.0 1.678 1.679 0.000 9 2 no 0.053 0 0
1 60 GLN QE 32 no 100.0 99.9 0.678 0.679 0.000 20 12 no 0.045 0 0
1 60 GLN QG 37 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.021 0 0
1 61 GLY QA 58 no 100.0 99.9 0.936 0.937 0.001 14 2 no 0.102 0 0
1 62 MET QB 134 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 62 MET QG 60 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 63 LEU QB 42 no 100.0 99.9 0.258 0.258 0.000 16 7 no 0.035 0 0
1 63 LEU QD 6 no 100.0 99.9 8.944 8.956 0.012 50 15 no 0.184 0 0
1 64 ARG QG 111 no 100.0 0.0 0.000 0.002 0.002 8 2 no 0.105 0 0
1 65 LYS QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 LYS QG 101 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 66 LEU QB 39 no 90.0 97.5 0.003 0.003 0.000 18 9 no 0.024 0 0
1 66 LEU QD 23 no 100.0 100.0 9.343 9.346 0.003 28 13 no 0.115 0 0
1 67 ASP QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 68 ILE QG 55 no 100.0 100.0 0.493 0.493 0.000 15 7 no 0.034 0 0
1 69 LYS QB 110 no 100.0 0.0 0.000 0.008 0.008 8 2 no 0.402 0 0
1 69 LYS QD 64 no 95.0 100.0 0.749 0.749 0.000 13 4 no 0.017 0 0
1 70 ASN QD 33 no 100.0 99.9 0.934 0.934 0.001 19 2 no 0.108 0 0
1 72 ASP QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 ASP QB 67 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.020 0 0
1 74 VAL QG 9 no 100.0 100.0 18.964 18.965 0.001 49 14 no 0.077 0 0
1 75 LYS QG 83 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.028 0 0
1 76 SER QB 133 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 77 LEU QB 147 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 77 LEU QD 20 no 100.0 100.0 12.989 12.989 0.000 37 12 no 0.043 0 0
1 79 ARG QB 80 no 100.0 100.0 0.187 0.187 0.000 11 1 no 0.000 0 0
1 79 ARG QG 86 no 55.0 99.8 0.030 0.030 0.000 10 1 no 0.025 0 0
1 80 VAL QG 24 no 100.0 100.0 17.345 17.347 0.002 27 8 no 0.089 0 0
1 81 MET QB 38 no 40.0 47.5 0.004 0.008 0.004 18 7 no 0.108 0 0
1 81 MET QG 35 no 100.0 100.0 2.765 2.765 0.000 19 8 no 0.017 0 0
1 82 ILE QG 46 no 80.0 100.0 0.711 0.711 0.000 15 2 no 0.032 0 0
1 83 HIS QB 132 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 84 VAL QG 21 no 100.0 100.0 12.373 12.374 0.001 35 8 no 0.057 0 0
1 85 PHE QB 74 no 100.0 100.0 0.739 0.739 0.000 12 6 no 0.015 0 0
1 86 SER QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 ASP QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 89 VAL QG 131 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 91 ASN QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 ASN QD 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 TRP QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 93 GLY QA 109 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 94 ARG QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 94 ARG QD 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 ARG QG 130 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 95 ILE QG 82 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.039 0 0
1 96 VAL QG 11 no 100.0 100.0 10.688 10.690 0.002 47 9 no 0.111 0 0
1 98 LEU QB 29 no 100.0 100.0 0.739 0.739 0.000 20 7 no 0.000 0 0
1 98 LEU QD 17 no 100.0 100.0 12.332 12.333 0.001 41 16 no 0.078 0 0
1 99 ILE QG 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 100 SER QB 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 101 PHE QB 85 no 100.0 100.0 0.067 0.067 0.000 10 1 no 0.000 0 0
1 102 GLY QA 26 no 100.0 100.0 1.016 1.016 0.000 25 10 no 0.027 0 0
1 105 VAL QG 16 no 100.0 100.0 9.055 9.058 0.003 43 17 no 0.115 0 0
1 107 LYS QB 59 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 107 LYS QD 70 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.016 0 0
1 107 LYS QG 100 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 108 HIS QB 54 no 75.0 99.9 0.070 0.070 0.000 15 7 no 0.022 0 0
1 109 LEU QB 63 no 100.0 100.0 0.217 0.217 0.000 13 4 no 0.000 0 0
1 109 LEU QD 5 no 100.0 100.0 11.775 11.776 0.001 52 22 no 0.077 0 0
1 110 LYS QB 99 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 110 LYS QD 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.009 0 0
1 110 LYS QG 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 113 ASN QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 113 ASN QD 153 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.084 0 0
1 114 GLN QB 108 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 114 GLN QE 98 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.072 0 0
1 117 SER QB 119 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.004 0 0
1 118 ILE QG 92 no 100.0 100.0 0.083 0.083 0.000 9 1 no 0.000 0 0
1 119 GLU QG 118 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 120 PRO QB 123 no 100.0 100.0 0.307 0.307 0.000 7 4 no 0.000 0 0
1 120 PRO QD 117 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 120 PRO QG 146 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 121 LEU QB 51 no 100.0 100.0 0.041 0.041 0.000 15 6 no 0.000 0 0
1 121 LEU QD 14 no 100.0 100.0 4.502 4.503 0.002 45 18 no 0.057 0 0
1 123 GLU QG 69 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.026 0 0
1 124 SER QB 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.027 0 0
1 125 ILE QG 41 no 100.0 100.0 0.934 0.934 0.000 16 3 no 0.000 0 0
1 127 ASP QB 40 no 100.0 100.0 0.128 0.128 0.000 16 2 no 0.000 0 0
1 128 VAL QG 10 no 100.0 100.0 21.721 21.723 0.002 48 13 no 0.075 0 0
1 129 LEU QB 31 no 100.0 100.0 0.339 0.339 0.000 20 10 no 0.000 0 0
1 129 LEU QD 8 no 100.0 100.0 15.574 15.580 0.006 49 12 no 0.114 0 0
1 130 VAL QG 15 no 100.0 100.0 16.127 16.127 0.001 43 12 no 0.084 0 0
1 131 ARG QB 97 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 131 ARG QG 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 133 LYS QB 116 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 133 LYS QD 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.079 0 0
1 133 LYS QE 176 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 133 LYS QG 107 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.013 0 0
1 134 ARG QB 87 no 100.0 97.7 0.098 0.100 0.002 10 4 no 0.212 0 0
1 134 ARG QD 122 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.036 0 0
1 134 ARG QG 125 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.204 0 0
1 136 TRP QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 137 LEU QB 44 no 100.0 100.0 3.867 3.868 0.001 16 8 no 0.074 0 0
1 137 LEU QD 2 no 100.0 100.0 12.461 12.465 0.004 59 21 no 0.082 0 0
1 138 VAL QG 22 no 100.0 100.0 6.353 6.356 0.003 30 11 no 0.132 0 0
1 139 LYS QB 28 no 100.0 100.0 2.847 2.849 0.001 24 13 no 0.075 0 0
1 139 LYS QD 66 no 100.0 99.9 1.395 1.396 0.001 13 7 no 0.082 0 0
1 139 LYS QG 50 no 100.0 99.9 0.565 0.565 0.000 15 5 no 0.059 0 0
1 140 GLN QB 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 140 GLN QE 30 no 100.0 99.9 2.354 2.356 0.001 20 10 no 0.082 0 0
1 140 GLN QG 49 no 100.0 99.7 0.197 0.198 0.001 15 5 no 0.049 0 0
1 141 ARG QB 65 no 70.0 99.9 0.212 0.212 0.000 13 5 no 0.062 0 0
1 141 ARG QG 57 no 100.0 99.2 1.063 1.072 0.009 14 2 no 0.175 0 0
1 143 TRP QB 96 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 144 ASP QB 48 no 100.0 99.8 0.108 0.108 0.000 15 5 no 0.062 0 0
1 145 GLY QA 56 no 100.0 100.0 0.597 0.597 0.000 14 2 no 0.050 0 0
1 146 PHE QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 147 VAL QG 4 no 100.0 100.0 15.266 15.270 0.003 54 6 no 0.105 0 0
1 148 GLU QG 106 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 149 PHE QB 81 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 150 PHE QB 73 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.035 0 0
1 151 HIS QB 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 152 VAL QG 12 no 100.0 100.0 17.034 17.036 0.002 46 11 no 0.080 0 0
1 153 GLU QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 153 GLU QG 145 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.043 0 0
1 154 ASP QB 144 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 155 LEU QB 115 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 155 LEU QD 34 no 100.0 99.8 1.180 1.183 0.003 19 6 no 0.119 0 0
1 156 GLU QB 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
stop_
save_
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