NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
469625 |
2agh   |
6095 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2agh
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 188
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 1.1
_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 0.540
_Stereo_assign_list.Total_e_high_states 147.780
_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 LYS QB 178 no 40.0 98.9 0.552 0.558 0.006 1 0 no 0.194 0 0
1 1 LYS QE 118 no 40.0 98.4 0.273 0.277 0.004 3 1 no 0.218 0 0
1 1 LYS QG 91 no 55.0 99.8 0.312 0.312 0.001 4 1 no 0.053 0 0
1 2 GLU QB 177 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 2 GLU QG 176 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 3 LYS QB 149 no 75.0 87.6 0.095 0.109 0.013 2 1 no 0.273 0 0
1 3 LYS QE 152 no 70.0 95.0 0.070 0.074 0.004 2 2 no 0.130 0 0
1 3 LYS QG 188 no 10.0 86.0 0.008 0.009 0.001 1 1 no 0.095 0 0
1 4 ARG QD 95 no 90.0 99.8 1.130 1.132 0.003 4 2 no 0.127 0 0
1 4 ARG QG 94 no 35.0 94.5 0.116 0.123 0.007 4 2 no 0.193 0 0
1 5 ILE QG 114 no 100.0 0.0 0.000 0.008 0.008 3 0 no 0.230 0 0
1 7 GLU QB 113 no 100.0 100.0 0.009 0.009 0.000 3 0 no 0.108 0 0
1 7 GLU QG 88 no 100.0 93.1 0.218 0.234 0.016 4 0 no 0.184 0 0
1 8 LEU QB 52 no 100.0 99.4 1.214 1.221 0.007 6 0 no 0.198 0 0
1 8 LEU QD 14 no 100.0 100.0 7.065 7.069 0.003 13 0 no 0.082 0 0
1 9 GLU QB 24 no 100.0 99.7 1.874 1.881 0.006 9 0 no 0.126 0 0
1 9 GLU QG 87 no 20.0 100.0 0.041 0.041 0.000 4 0 no 0.000 0 0
1 10 LEU QB 142 no 95.0 99.6 0.234 0.235 0.001 2 0 no 0.129 0 0
1 11 LEU QB 69 no 100.0 99.9 1.561 1.563 0.002 5 0 no 0.080 0 0
1 12 LEU QB 59 no 100.0 99.2 2.413 2.432 0.019 6 1 no 0.214 0 0
1 12 LEU QD 1 no 100.0 99.9 7.943 7.950 0.008 36 15 no 0.131 0 0
1 13 MET QB 112 no 20.0 96.7 0.015 0.015 0.000 3 0 no 0.055 0 0
1 13 MET QG 141 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 GLU QB 78 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.041 0 0
1 16 GLU QG 79 no 35.0 98.5 0.436 0.442 0.007 5 4 no 0.186 0 0
1 18 GLU QB 140 no 100.0 100.0 2.203 2.204 0.001 2 0 no 0.068 0 0
1 18 GLU QG 139 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.103 0 0
1 19 LEU QD 13 no 100.0 100.0 4.752 4.754 0.002 14 7 no 0.068 0 0
1 20 LYS QG 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 GLY QA 187 no 90.0 98.4 0.061 0.062 0.001 1 1 no 0.780 0 2
1 22 GLN QG 186 no 55.0 83.7 0.319 0.381 0.062 1 1 no 0.780 0 2
1 25 LEU QB 175 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 25 LEU QD 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 1 GLY QA 174 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 2 VAL QG 136 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 3 ARG QB 86 no 65.0 99.4 0.181 0.182 0.001 4 0 no 0.084 0 0
2 4 LYS QD 173 no 35.0 99.8 0.228 0.228 0.001 1 0 no 0.059 0 0
2 4 LYS QE 172 no 65.0 100.0 0.649 0.649 0.000 1 0 no 0.040 0 0
2 5 GLY QA 117 yes 100.0 99.5 0.420 0.422 0.002 3 1 no 0.081 0 0
2 6 TRP QB 39 no 100.0 96.0 0.285 0.297 0.012 7 0 no 0.176 0 0
2 7 HIS QB 111 no 75.0 100.0 0.481 0.481 0.000 3 0 no 0.000 0 0
2 8 GLU QB 51 no 0.0 0.0 0.000 0.003 0.003 6 0 no 0.070 0 0
2 8 GLU QG 148 no 80.0 100.0 1.284 1.284 0.000 2 1 no 0.031 0 0
2 9 HIS QB 123 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.005 0 0
2 10 VAL QG 6 no 100.0 100.0 3.398 3.398 0.000 21 4 no 0.005 0 0
2 12 GLN QB 58 no 90.0 98.5 0.174 0.176 0.003 6 1 no 0.165 0 0
2 12 GLN QG 116 no 85.0 99.8 0.179 0.179 0.000 3 1 no 0.082 0 0
2 13 ASP QB 73 no 75.0 99.9 0.508 0.509 0.000 5 1 no 0.050 0 0
2 14 LEU QB 36 no 100.0 99.9 4.079 4.081 0.002 8 2 no 0.102 0 0
2 14 LEU QD 7 no 100.0 100.0 8.421 8.422 0.000 21 11 no 0.041 0 0
2 15 ARG QB 85 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.027 0 0
2 15 ARG QD 93 no 100.0 99.2 1.324 1.335 0.011 4 2 no 0.225 0 0
2 16 SER QB 57 no 100.0 99.2 1.336 1.348 0.011 6 1 no 0.136 0 0
2 17 HIS QB 41 no 100.0 100.0 0.011 0.011 0.000 7 1 no 0.136 0 0
2 18 LEU QB 44 no 100.0 99.8 1.617 1.619 0.003 7 2 no 0.105 0 0
2 18 LEU QD 3 no 100.0 99.9 4.513 4.519 0.007 26 10 no 0.112 0 0
2 19 VAL QG 2 no 100.0 99.9 1.826 1.827 0.001 27 5 no 0.061 0 0
2 20 HIS QB 50 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 21 LYS QB 75 no 100.0 0.0 0.000 0.001 0.001 5 2 no 0.093 0 0
2 21 LYS QE 171 no 35.0 99.8 0.376 0.377 0.001 1 0 no 0.058 0 0
2 21 LYS QG 122 no 85.0 100.0 0.562 0.562 0.000 3 2 no 0.033 0 0
2 22 LEU QB 15 no 25.0 97.4 0.051 0.052 0.001 13 3 no 0.119 0 0
2 22 LEU QD 4 no 100.0 99.8 11.289 11.309 0.020 23 9 no 0.154 0 0
2 23 VAL QG 8 no 100.0 100.0 3.743 3.743 0.000 17 5 no 0.004 0 0
2 24 GLN QB 72 no 100.0 96.6 0.271 0.281 0.009 5 1 no 0.252 0 0
2 24 GLN QG 74 no 100.0 97.8 0.395 0.404 0.009 5 2 no 0.252 0 0
2 26 ILE QG 170 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 27 PHE QB 46 no 100.0 100.0 0.000 0.000 0.000 7 4 no 0.004 0 0
2 28 PRO QB 135 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
2 28 PRO QD 25 no 85.0 98.8 0.156 0.158 0.002 9 1 no 0.071 0 0
2 28 PRO QG 169 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 30 PRO QB 134 no 100.0 100.0 0.005 0.005 0.000 2 0 no 0.093 0 0
2 30 PRO QD 34 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.177 0 0
2 30 PRO QG 110 no 100.0 99.9 0.185 0.185 0.000 3 0 no 0.047 0 0
2 31 ASP QB 29 no 20.0 29.0 0.010 0.033 0.023 9 4 no 0.182 0 0
2 32 PRO QB 168 no 40.0 100.0 0.003 0.003 0.000 1 0 no 0.000 0 0
2 32 PRO QD 18 no 80.0 53.1 0.010 0.019 0.009 11 4 no 0.182 0 0
2 32 PRO QG 109 no 100.0 100.0 0.952 0.952 0.000 3 0 no 0.000 0 0
2 35 LEU QB 108 no 90.0 2.9 0.000 0.003 0.003 3 0 no 0.072 0 0
2 35 LEU QD 40 no 95.0 100.0 1.430 1.430 0.000 7 1 no 0.007 0 0
2 36 LYS QB 107 no 45.0 98.5 0.003 0.003 0.000 3 0 no 0.018 0 0
2 36 LYS QE 147 no 15.0 100.0 0.022 0.022 0.000 2 1 no 0.006 0 0
2 36 LYS QG 146 no 15.0 78.7 0.000 0.000 0.000 2 1 no 0.031 0 0
2 37 ASP QB 17 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.009 0 0
2 38 ARG QB 84 no 10.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 38 ARG QD 167 no 65.0 98.8 0.762 0.771 0.009 1 0 no 0.222 0 0
2 39 ARG QB 133 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 40 MET QB 71 no 40.0 95.2 0.051 0.054 0.003 5 1 no 0.106 0 0
2 40 MET QG 45 no 15.0 99.8 0.067 0.067 0.000 7 3 no 0.045 0 0
2 41 GLU QB 63 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
2 41 GLU QG 62 no 45.0 95.1 0.092 0.097 0.005 6 2 no 0.170 0 0
2 42 ASN QB 56 no 85.0 99.9 0.353 0.353 0.000 6 1 no 0.061 0 0
2 43 LEU QB 61 no 80.0 100.0 0.120 0.120 0.000 6 2 no 0.000 0 0
2 43 LEU QD 21 no 70.0 100.0 0.474 0.474 0.000 10 4 no 0.032 0 0
2 44 VAL QG 10 no 100.0 99.9 6.589 6.597 0.008 15 2 no 0.117 0 0
2 46 TYR QB 106 no 100.0 100.0 0.002 0.002 0.000 3 0 no 0.118 0 0
2 48 LYS QB 185 no 5.0 86.2 0.000 0.000 0.000 1 1 no 0.011 0 0
2 48 LYS QD 184 no 100.0 100.0 0.122 0.122 0.000 1 1 no 0.000 0 0
2 48 LYS QE 183 no 10.0 100.0 0.045 0.045 0.000 1 1 no 0.000 0 0
2 48 LYS QG 80 no 100.0 99.5 0.265 0.266 0.001 5 5 no 0.069 0 0
2 49 LYS QB 132 no 5.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 49 LYS QD 182 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 49 LYS QE 181 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 50 VAL QG 5 no 100.0 100.0 0.777 0.777 0.000 21 1 no 0.000 0 0
2 51 GLU QB 96 no 100.0 99.9 1.115 1.117 0.002 4 3 no 0.069 0 0
2 51 GLU QG 180 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 52 GLY QA 43 yes 100.0 100.0 0.100 0.100 0.000 7 2 no 0.000 0 0
2 53 ASP QB 23 no 45.0 99.9 0.402 0.402 0.000 9 0 no 0.066 0 0
2 54 MET QB 131 no 100.0 100.0 0.037 0.037 0.000 2 0 no 0.000 0 0
2 54 MET QG 77 no 100.0 99.2 1.515 1.527 0.012 5 3 no 0.110 0 0
2 55 TYR QB 38 no 100.0 98.8 0.944 0.956 0.012 8 3 no 0.136 0 0
2 56 GLU QB 35 no 100.0 0.0 0.000 0.002 0.002 8 2 no 0.070 0 0
2 56 GLU QG 92 no 65.0 99.6 0.266 0.267 0.001 4 2 no 0.069 0 0
2 57 SER QB 60 no 95.0 97.3 0.080 0.082 0.002 6 2 no 0.149 0 0
2 59 ASN QB 105 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.042 0 0
2 59 ASN QD 166 no 50.0 99.7 0.043 0.043 0.000 1 0 no 0.049 0 0
2 60 SER QB 104 no 100.0 100.0 1.439 1.439 0.000 3 0 no 0.000 0 0
2 61 ARG QB 130 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 61 ARG QD 121 no 75.0 99.0 0.235 0.238 0.002 3 2 no 0.129 0 0
2 61 ARG QG 120 no 95.0 99.9 1.049 1.050 0.001 3 2 no 0.085 0 0
2 62 ASP QB 68 no 100.0 0.0 0.000 0.001 0.001 5 0 no 0.084 0 0
2 63 GLU QB 42 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
2 63 GLU QG 20 no 5.0 35.8 0.000 0.000 0.000 10 4 no 0.035 0 0
2 64 TYR QB 33 no 100.0 100.0 0.877 0.877 0.000 8 0 no 0.022 0 0
2 65 TYR QB 67 no 100.0 0.0 0.000 0.001 0.001 5 0 no 0.072 0 0
2 66 HIS QB 49 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 67 LEU QB 103 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.014 0 0
2 67 LEU QD 11 no 100.0 100.0 3.455 3.456 0.000 15 4 no 0.026 0 0
2 68 LEU QB 22 no 100.0 100.0 0.016 0.016 0.000 10 5 no 0.008 0 0
2 68 LEU QD 9 no 100.0 100.0 2.595 2.595 0.000 17 10 no 0.052 0 0
2 70 GLU QB 66 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
2 70 GLU QG 165 no 5.0 100.0 0.006 0.006 0.000 1 0 no 0.000 0 0
2 71 LYS QD 164 no 20.0 99.9 0.027 0.027 0.000 1 0 no 0.025 0 0
2 71 LYS QG 129 no 75.0 99.7 1.155 1.158 0.003 2 0 no 0.166 0 0
2 72 ILE QG 28 no 100.0 99.0 2.076 2.097 0.021 9 4 no 0.214 0 0
2 73 TYR QB 32 no 15.0 24.1 0.002 0.009 0.007 8 0 no 0.252 0 0
2 76 GLN QB 65 no 10.0 100.0 0.006 0.006 0.000 5 0 no 0.000 0 0
2 76 GLN QE 83 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.079 0 0
2 76 GLN QG 48 no 100.0 99.8 3.927 3.934 0.006 6 0 no 0.120 0 0
2 77 LYS QB 102 no 20.0 95.5 0.046 0.049 0.002 3 0 no 0.087 0 0
2 77 LYS QD 90 no 90.0 99.3 1.649 1.661 0.012 4 1 no 0.271 0 0
2 77 LYS QG 55 no 95.0 98.1 0.451 0.459 0.009 6 1 no 0.259 0 0
2 78 GLU QB 31 no 95.0 99.8 0.246 0.246 0.000 8 0 no 0.062 0 0
2 79 LEU QB 101 no 100.0 61.3 0.000 0.001 0.000 3 0 no 0.078 0 0
2 79 LEU QD 19 no 100.0 99.9 5.496 5.500 0.004 11 5 no 0.092 0 0
2 80 GLU QB 128 no 10.0 24.0 0.000 0.001 0.001 2 0 no 0.079 0 0
2 81 GLU QB 119 no 25.0 91.3 0.038 0.042 0.004 3 2 no 0.152 0 0
2 81 GLU QG 151 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 82 LYS QD 163 no 25.0 99.7 0.302 0.303 0.001 1 0 no 0.069 0 0
2 82 LYS QG 162 no 25.0 99.8 0.132 0.133 0.000 1 0 no 0.075 0 0
2 83 ARG QB 161 no 5.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 83 ARG QD 76 no 90.0 99.9 1.839 1.840 0.001 5 3 no 0.124 0 0
2 84 ARG QB 160 no 5.0 97.3 0.001 0.001 0.000 1 0 no 0.014 0 0
2 85 SER QB 100 no 90.0 98.9 0.163 0.165 0.002 3 0 no 0.105 0 0
2 86 ARG QB 99 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.056 0 0
2 87 LEU QD 159 no 65.0 99.6 0.078 0.078 0.000 1 0 no 0.080 0 0
3 2 ASP QB 158 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
3 4 GLY QA 127 no 75.0 68.0 0.001 0.001 0.000 2 0 no 0.084 0 0
3 6 ILE QG 47 no 5.0 100.0 0.000 0.000 0.000 6 0 no 0.000 0 0
3 7 LEU QB 70 no 100.0 100.0 1.066 1.066 0.000 5 1 no 0.029 0 0
3 7 LEU QD 27 no 100.0 99.9 10.462 10.471 0.009 9 4 no 0.145 0 0
3 8 PRO QB 54 no 100.0 98.8 1.731 1.751 0.020 6 1 no 0.202 0 0
3 8 PRO QD 53 no 95.0 99.0 0.341 0.344 0.003 6 1 no 0.133 0 0
3 8 PRO QG 145 no 100.0 100.0 0.000 0.000 0.000 2 1 no 0.079 0 0
3 10 ASP QB 98 no 90.0 100.0 0.107 0.107 0.000 3 0 no 0.000 0 0
3 11 ILE QG 89 no 40.0 99.9 0.062 0.062 0.000 4 1 no 0.021 0 0
3 12 MET QB 26 no 100.0 100.0 0.142 0.142 0.000 9 2 no 0.000 0 0
3 12 MET QG 64 no 100.0 99.5 0.266 0.268 0.001 6 4 no 0.050 0 0
3 13 ASP QB 82 no 100.0 100.0 0.438 0.438 0.000 4 0 no 0.034 0 0
3 15 VAL QG 12 no 100.0 99.7 3.289 3.298 0.009 14 5 no 0.100 0 0
3 16 LEU QB 37 no 100.0 99.9 1.927 1.929 0.001 8 3 no 0.124 0 0
3 16 LEU QD 30 no 100.0 99.9 2.026 2.029 0.002 9 5 no 0.055 0 0
3 17 LYS QB 81 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.039 0 0
3 17 LYS QD 144 no 30.0 77.8 0.007 0.009 0.002 2 1 no 0.111 0 0
3 17 LYS QE 150 no 25.0 71.8 0.015 0.021 0.006 2 2 no 0.200 0 0
3 17 LYS QG 115 no 55.0 91.3 0.083 0.091 0.008 3 1 no 0.200 0 0
3 18 ASN QB 16 no 95.0 95.6 0.104 0.109 0.005 12 0 no 0.188 0 0
3 20 PRO QB 179 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
3 20 PRO QD 143 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
3 22 MET QG 126 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
3 23 GLN QG 157 no 80.0 99.5 0.324 0.326 0.002 1 0 no 0.076 0 0
3 25 LEU QD 156 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
3 26 GLY QA 125 no 60.0 71.6 0.024 0.033 0.010 2 0 no 0.276 0 0
3 27 GLU QB 97 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
3 27 GLU QG 155 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
3 29 PRO QB 154 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
3 29 PRO QG 153 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
3 30 GLU QB 124 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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