NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
370548 |
1bu9   |
cing | recoord | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1bu9
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 181
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 1.1
_Stereo_assign_list.Deassign_count 1
_Stereo_assign_list.Deassign_percentage 0.6
_Stereo_assign_list.Model_count 21
_Stereo_assign_list.Total_e_low_states 6.272
_Stereo_assign_list.Total_e_high_states 8.649
_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 157 no 0.0 0.0 0.000 0.035 0.035 4 0 no 0.294 0 0
1 1 MET QG 179 no 100.0 0.0 0.000 0.005 0.005 2 0 no 0.142 0 0
1 3 GLU QB 116 no 0.0 0.0 0.000 0.039 0.039 8 4 no 0.182 0 0
1 3 GLU QG 161 no 100.0 0.0 0.000 0.004 0.004 4 4 no 0.164 0 0
1 4 PRO QB 181 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 4 PRO QD 44 no 100.0 0.0 0.000 0.006 0.006 14 10 no 0.168 0 0
1 6 GLY QA 75 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.040 0 0
1 9 LEU QD 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 GLY QA 17 no 0.0 0.0 0.000 0.039 0.039 18 8 no 0.234 0 0
1 17 ASP QB 88 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.074 0 0
1 18 LEU QB 129 no 4.8 0.0 0.000 0.059 0.059 6 0 no 0.280 0 0
1 19 GLU QB 156 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.124 0 0
1 20 GLN QB 63 no 100.0 0.0 0.000 0.002 0.002 12 8 no 0.087 0 0
1 20 GLN QE 180 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 20 GLN QG 62 no 100.0 0.0 0.000 0.002 0.002 12 8 no 0.086 0 0
1 21 LEU QB 155 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.237 0 0
1 24 LEU QB 87 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 24 LEU QD 31 no 42.9 100.0 0.050 0.050 0.000 16 10 no 0.000 0 0
1 25 LEU QB 154 no 100.0 0.0 0.000 0.017 0.017 4 0 no 0.220 0 0
1 25 LEU QD 101 no 100.0 0.0 0.000 0.003 0.003 8 0 no 0.187 0 0
1 26 GLN QE 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 26 GLN QG 100 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.007 0 0
1 28 ASN QB 137 no 0.0 0.0 0.000 0.001 0.001 6 4 no 0.067 0 0
1 28 ASN QD 160 no 100.0 0.0 0.000 0.001 0.001 4 4 no 0.067 0 0
1 29 VAL QG 7 no 100.0 0.0 0.000 0.000 0.000 20 0 no 0.000 0 0
1 30 ASN QB 58 no 100.0 0.0 0.000 0.056 0.056 12 4 no 0.275 0 0
1 30 ASN QD 115 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 31 VAL QG 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 ASN QB 136 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.004 0 0
1 32 ASN QD 86 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 34 GLN QG 128 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.103 0 0
1 35 ASN QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 36 GLY QA 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 PHE QB 135 no 0.0 0.0 0.000 0.062 0.062 6 4 no 0.544 0 4
1 38 GLY QA 37 no 100.0 0.0 0.000 0.057 0.057 14 0 no 0.603 0 2
1 39 ARG QB 61 no 0.0 0.0 0.000 0.059 0.059 12 8 no 0.318 0 0
1 39 ARG QD 30 no 90.5 0.0 0.000 0.176 0.176 16 8 no 0.441 0 0
1 43 GLN QB 134 no 0.0 0.0 0.000 0.001 0.001 6 4 no 0.088 0 0
1 43 GLN QE 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 GLN QG 133 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.108 0 0
1 44 VAL QG 21 no 100.0 0.0 0.000 0.034 0.034 16 0 no 0.233 0 0
1 45 MET QB 127 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.120 0 0
1 45 MET QG 48 no 100.0 0.0 0.000 0.047 0.047 12 0 no 0.272 0 0
1 46 LYS QD 114 no 100.0 0.0 0.000 0.096 0.096 8 4 no 0.342 0 0
1 46 LYS QG 85 no 100.0 0.0 0.000 0.003 0.003 10 4 no 0.123 0 0
1 47 LEU QB 36 no 100.0 0.0 0.000 0.084 0.084 14 0 no 0.420 0 0
1 47 LEU QD 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 48 GLY QA 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 49 ASN QB 33 no 90.5 0.0 0.000 0.444 0.444 16 12 no 0.469 0 0
1 49 ASN QD 113 no 100.0 0.0 0.000 0.011 0.011 8 4 no 0.184 0 0
1 50 PRO QB 132 no 100.0 0.0 0.000 0.104 0.104 6 4 no 0.342 0 0
1 50 PRO QD 32 no 90.5 0.0 0.000 0.202 0.202 16 12 no 0.469 0 0
1 50 PRO QG 29 no 76.2 0.0 0.000 0.507 0.507 16 8 no 0.518 0 4
1 51 GLU QB 112 no 100.0 0.0 0.000 0.114 0.114 8 4 no 0.281 0 0
1 51 GLU QG 84 no 0.0 0.0 0.000 0.151 0.151 10 4 no 0.347 0 0
1 52 ILE QG 57 no 4.8 0.0 0.000 0.109 0.109 12 4 no 0.329 0 0
1 54 ARG QD 11 no 100.0 0.0 0.000 0.002 0.002 20 8 no 0.142 0 0
1 54 ARG QG 111 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.015 0 0
1 55 ARG QD 74 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.017 0 0
1 56 LEU QD 73 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.060 0 0
1 57 LEU QB 174 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.023 0 0
1 57 LEU QD 15 no 100.0 0.0 0.000 0.003 0.003 18 4 no 0.110 0 0
1 58 LEU QB 83 yes 95.2 61.9 0.121 0.195 0.074 10 4 no 0.744 0 1
1 58 LEU QD 10 no 100.0 0.0 0.000 0.006 0.006 20 8 no 0.133 0 0
1 59 ARG QB 35 no 81.0 0.0 0.000 0.055 0.055 14 0 no 0.280 0 0
1 59 ARG QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.023 0 0
1 60 GLY QA 125 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.079 0 0
1 62 ASN QB 110 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.011 0 0
1 62 ASN QD 124 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.300 0 0
1 63 PRO QB 172 no 100.0 0.0 0.000 0.040 0.040 2 0 no 0.394 0 0
1 63 PRO QD 56 no 95.2 0.0 0.000 0.001 0.001 12 4 no 0.071 0 0
1 63 PRO QG 42 no 100.0 0.0 0.000 0.004 0.004 14 4 no 0.151 0 0
1 64 ASP QB 99 no 100.0 0.0 0.000 0.040 0.040 8 0 no 0.532 0 2
1 65 LEU QB 109 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 65 LEU QD 16 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.000 0 0
1 66 LYS QB 47 no 100.0 0.0 0.000 0.126 0.126 12 0 no 0.488 0 0
1 67 ASP QB 123 no 0.0 0.0 0.000 0.012 0.012 6 0 no 0.283 0 0
1 70 GLY QA 14 no 0.0 0.0 0.000 0.001 0.001 18 4 no 0.064 0 0
1 71 PHE QB 41 no 100.0 0.0 0.000 0.058 0.058 14 4 no 0.253 0 0
1 73 VAL QG 82 no 100.0 0.0 0.000 0.005 0.005 10 4 no 0.235 0 0
1 74 ILE QG 98 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 75 HIS QB 13 no 76.2 8.7 0.010 0.111 0.101 18 4 no 0.373 0 0
1 76 ASP QB 97 no 100.0 81.4 0.322 0.396 0.074 8 0 no 0.335 0 0
1 79 ARG QB 43 no 4.8 0.0 0.000 0.053 0.053 14 8 no 0.223 0 0
1 79 ARG QD 81 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.066 0 0
1 79 ARG QG 131 no 100.0 0.0 0.000 0.046 0.046 6 4 no 0.223 0 0
1 82 PHE QB 3 no 100.0 100.0 0.705 0.705 0.000 22 0 no 0.018 0 0
1 83 LEU QB 96 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 83 LEU QD 1 no 100.0 0.0 0.000 0.008 0.008 26 4 no 0.209 0 0
1 84 ASP QB 46 no 100.0 0.0 0.000 0.006 0.006 14 12 no 0.094 0 0
1 86 LEU QB 150 no 100.0 0.0 0.000 0.017 0.017 4 0 no 0.544 0 1
1 87 GLN QB 9 no 81.0 0.0 0.000 0.301 0.301 20 4 no 0.476 0 0
1 87 GLN QE 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 87 GLN QG 2 no 95.2 0.0 0.000 0.267 0.267 24 4 no 0.464 0 0
1 89 LEU QB 171 no 100.0 0.0 0.000 0.177 0.177 2 0 no 0.493 0 0
1 89 LEU QD 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 90 LEU QB 103 no 95.2 0.0 0.000 0.074 0.074 8 2 no 0.298 0 0
1 90 LEU QD 102 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 91 GLU QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 91 GLU QG 122 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.111 0 0
1 92 PHE QB 55 no 100.0 0.0 0.000 0.224 0.224 12 4 no 0.449 0 0
1 93 GLN QE 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 ASP QB 20 no 90.5 0.0 0.000 0.043 0.043 16 0 no 0.239 0 0
1 96 VAL QG 12 no 100.0 0.0 0.000 0.010 0.010 18 0 no 0.208 0 0
1 97 ASN QB 121 no 100.0 0.0 0.000 0.168 0.168 6 0 no 0.505 0 1
1 97 ASN QD 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.091 0 0
1 98 ILE QG 95 no 100.0 0.0 0.000 0.001 0.001 8 0 no 0.053 0 0
1 99 GLU QB 80 no 100.0 0.0 0.000 0.093 0.093 10 4 no 0.293 0 0
1 99 GLU QG 94 no 100.0 0.0 0.000 0.011 0.011 8 0 no 0.166 0 0
1 100 ASP QB 72 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 101 ASN QD 108 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.076 0 0
1 102 GLU QB 93 no 0.0 0.0 0.000 0.047 0.047 8 0 no 0.258 0 0
1 103 GLY QA 25 no 100.0 0.0 0.000 0.031 0.031 16 4 no 0.230 0 0
1 104 ASN QB 45 no 100.0 98.9 0.181 0.183 0.002 14 12 no 0.104 0 0
1 104 ASN QD 159 no 100.0 0.0 0.000 0.001 0.001 4 4 no 0.104 0 0
1 105 LEU QB 120 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.065 0 0
1 105 LEU QD 6 no 0.0 0.0 0.000 0.013 0.013 22 8 no 0.250 0 0
1 106 PRO QD 24 no 100.0 0.0 0.000 0.001 0.001 16 4 no 0.121 0 0
1 107 LEU QD 146 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.175 0 0
1 108 HIS QB 40 no 100.0 0.0 0.000 0.028 0.028 14 4 no 0.238 0 0
1 109 LEU QB 107 no 0.0 0.0 0.000 0.001 0.001 8 4 no 0.067 0 0
1 109 LEU QD 60 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 112 LYS QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 112 LYS QD 28 no 85.7 0.0 0.000 0.051 0.051 16 8 no 0.267 0 0
1 112 LYS QE 27 no 95.2 0.0 0.000 0.054 0.054 16 8 no 0.267 0 0
1 112 LYS QG 26 no 100.0 0.0 0.000 0.004 0.004 16 8 no 0.190 0 0
1 113 GLU QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 113 GLU QG 71 no 100.0 0.0 0.000 0.047 0.047 10 0 no 0.250 0 0
1 114 GLY QA 18 no 100.0 0.0 0.000 0.011 0.011 18 12 no 0.101 0 0
1 115 HIS QB 4 yes 100.0 70.5 0.192 0.273 0.081 22 4 no 0.296 0 0
1 116 LEU QB 70 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 117 ARG QD 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.027 0 0
1 118 VAL QG 54 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 120 GLU QB 130 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 120 GLU QG 53 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.045 0 0
1 121 PHE QB 39 no 100.0 0.0 0.000 0.079 0.079 14 4 no 0.288 0 0
1 122 LEU QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 122 LEU QD 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.034 0 0
1 124 LYS QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 124 LYS QE 92 no 0.0 0.0 0.000 0.004 0.004 8 0 no 0.112 0 0
1 124 LYS QG 143 no 100.0 0.0 0.000 0.009 0.009 4 0 no 0.260 0 0
1 125 HIS QB 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 128 SER QB 69 no 100.0 100.0 0.177 0.177 0.000 10 0 no 0.000 0 0
1 129 ASN QB 5 no 100.0 0.0 0.000 0.050 0.050 22 8 no 0.351 0 0
1 129 ASN QD 79 no 100.0 0.0 0.000 0.066 0.066 10 4 no 0.351 0 0
1 130 VAL QG 68 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.073 0 0
1 131 GLY QA 67 no 100.0 0.0 0.000 0.005 0.005 10 0 no 0.107 0 0
1 132 HIS QB 164 no 100.0 0.0 0.000 0.046 0.046 2 0 no 0.737 0 1
1 133 ARG QB 106 no 100.0 0.0 0.000 0.003 0.003 8 4 no 0.108 0 0
1 133 ARG QD 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 134 ASN QB 52 no 100.0 0.0 0.000 0.003 0.003 12 4 no 0.269 0 0
1 134 ASN QD 158 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 135 HIS QB 118 no 100.0 0.0 0.000 0.032 0.032 6 0 no 0.215 0 0
1 136 LYS QB 78 no 81.0 0.0 0.000 0.079 0.079 10 4 no 0.238 0 0
1 136 LYS QG 51 no 100.0 0.0 0.000 0.173 0.173 12 4 no 0.304 0 0
1 137 GLY QA 23 no 100.0 0.0 0.000 0.264 0.264 16 4 yes 0.547 0 14
1 138 ASP QB 22 no 100.0 68.8 0.479 0.696 0.217 16 4 no 0.508 0 1
1 141 CYS QB 38 no 100.0 0.0 0.000 0.005 0.005 14 4 no 0.250 0 0
1 142 ASP QB 91 no 0.0 0.0 0.000 0.051 0.051 8 0 no 0.272 0 0
1 143 LEU QB 34 no 100.0 0.0 0.000 0.050 0.050 14 0 no 0.363 0 0
1 143 LEU QD 8 no 100.0 0.0 0.000 0.016 0.016 20 4 no 0.249 0 0
1 145 ARG QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 146 LEU QB 66 no 95.2 99.0 0.141 0.143 0.001 10 0 no 0.068 0 0
1 146 LEU QD 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 147 TYR QB 65 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 148 GLY QA 140 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.081 0 0
1 149 ARG QD 105 no 100.0 0.0 0.000 0.001 0.001 8 4 no 0.048 0 0
1 149 ARG QG 77 no 0.0 0.0 0.000 0.007 0.007 10 4 no 0.113 0 0
1 152 VAL QG 50 no 100.0 0.0 0.000 0.007 0.007 12 4 no 0.097 0 0
1 153 VAL QG 19 no 100.0 0.0 0.000 0.003 0.003 16 0 no 0.084 0 0
1 155 LEU QD 89 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.024 0 0
1 156 MET QB 64 no 100.0 0.0 0.000 0.006 0.006 10 0 no 0.111 0 0
1 156 MET QG 90 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.036 0 0
1 157 GLN QB 139 no 100.0 0.0 0.000 0.057 0.057 4 0 no 0.263 0 0
1 157 GLN QE 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.017 0 0
1 157 GLN QG 76 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.061 0 0
1 159 ASN QB 49 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.022 0 0
1 159 ASN QD 104 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 160 GLY QA 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 162 GLY QA 59 no 100.0 0.0 0.000 0.002 0.002 12 8 no 0.081 0 0
1 163 GLY QA 117 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.082 0 0
stop_
save_
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