NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
453597 |
2yt0   |
10238 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2yt0
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 219
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 2
_Stereo_assign_list.Deassign_percentage 0.9
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 6.226
_Stereo_assign_list.Total_e_high_states 514.872
_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 11 VAL QG 75 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.042 0 0
1 13 PRO QB 184 no 100.0 100.0 0.503 0.503 0.000 3 0 no 0.000 0 0
1 14 GLU QB 88 no 100.0 100.0 1.300 1.300 0.000 8 1 no 0.005 0 0
1 14 GLU QG 173 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 15 GLU QB 129 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.026 0 0
1 15 GLU QG 87 no 0.0 0.0 0.000 0.002 0.002 8 0 no 0.220 0 0
1 16 ARG QB 100 no 100.0 99.9 1.520 1.521 0.001 8 4 no 0.071 0 0
1 16 ARG QD 57 no 100.0 0.0 0.000 0.001 0.001 12 6 no 0.071 0 0
1 16 ARG QG 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 17 HIS QB 105 no 100.0 100.0 2.119 2.119 0.000 7 2 no 0.017 0 0
1 18 LEU QB 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.011 0 0
1 18 LEU QD 27 no 100.0 0.0 0.000 0.000 0.000 18 0 no 0.010 0 0
1 19 SER QB 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.013 0 0
1 20 LYS QB 138 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 20 LYS QD 127 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.015 0 0
1 20 LYS QE 137 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.001 0 0
1 20 LYS QG 126 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.020 0 0
1 21 MET QB 178 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 21 MET QG 171 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 22 GLN QB 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 GLN QE 136 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 22 GLN QG 177 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 23 GLN QB 182 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 23 GLN QG 125 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.027 0 0
1 24 ASN QB 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 24 ASN QD 181 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 25 GLY QA 104 no 100.0 100.0 1.893 1.893 0.000 7 0 no 0.000 0 0
1 26 TYR QB 103 no 100.0 100.0 1.120 1.120 0.000 7 0 no 0.000 0 0
1 27 GLU QB 133 no 0.0 0.0 0.000 2.123 2.123 6 2 no 0.000 0 0
1 27 GLU QG 29 no 100.0 41.7 0.616 1.478 0.861 18 6 yes 2.310 4 4
1 28 ASN QB 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 28 ASN QD 25 no 100.0 100.0 2.177 2.177 0.000 19 4 no 0.069 0 0
1 29 PRO QD 124 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 29 PRO QG 141 no 100.0 100.0 1.056 1.056 0.000 5 0 no 0.000 0 0
1 31 TYR QB 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 32 LYS QB 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 LYS QD 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.020 0 0
1 32 LYS QE 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 LYS QG 212 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.150 0 0
1 33 PHE QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 PHE QB 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.027 0 0
1 35 GLU QB 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 GLU QG 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 GLN QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.010 0 0
1 36 GLN QG 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 37 MET QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 MET QG 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 GLN QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 GLN QG 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 ASN QB 180 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 39 ASN QD 179 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 56 PRO QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 56 PRO QD 122 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 57 LYS QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 57 LYS QG 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 GLU QB 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 59 GLU QG 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 60 LEU QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 60 LEU QD 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 61 VAL QG 52 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.005 0 0
1 62 GLN QB 67 no 100.0 100.0 0.963 0.963 0.000 10 3 no 0.012 0 0
1 62 GLN QE 39 no 100.0 100.0 1.291 1.291 0.000 15 7 no 0.002 0 0
1 62 GLN QG 78 no 100.0 100.0 0.800 0.800 0.000 9 1 no 0.013 0 0
1 63 LYS QB 74 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.059 0 0
1 63 LYS QD 200 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.100 0 0
1 63 LYS QE 101 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.005 0 0
1 63 LYS QG 199 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.098 0 0
1 64 PHE QB 99 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 65 ARG QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 ARG QD 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 ARG QG 120 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 66 VAL QG 4 no 100.0 100.0 22.999 22.999 0.000 35 11 no 0.001 0 0
1 67 GLN QB 19 no 100.0 100.0 3.656 3.656 0.000 22 11 no 0.000 0 0
1 67 GLN QE 36 no 100.0 100.0 1.937 1.937 0.000 16 10 no 0.000 0 0
1 67 GLN QG 32 no 100.0 100.0 3.988 3.988 0.000 17 5 no 0.003 0 0
1 68 TYR QB 54 no 100.0 100.0 1.604 1.604 0.000 12 5 no 0.000 0 0
1 69 LEU QB 53 no 100.0 100.0 0.830 0.830 0.000 12 5 no 0.000 0 0
1 69 LEU QD 1 no 100.0 100.0 50.922 50.922 0.000 50 18 no 0.001 0 0
1 70 GLY QA 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 71 MET QB 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 71 MET QG 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 72 LEU QB 18 no 100.0 100.0 1.750 1.750 0.000 24 14 no 0.005 0 0
1 72 LEU QD 7 no 100.0 100.0 14.455 14.455 0.000 34 19 no 0.041 0 0
1 73 PRO QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 PRO QD 35 no 100.0 100.0 1.861 1.861 0.000 16 8 no 0.024 0 0
1 73 PRO QG 219 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 74 VAL QG 10 no 100.0 100.0 33.849 33.849 0.000 30 6 no 0.006 0 0
1 75 ASP QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 76 ARG QB 176 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 76 ARG QD 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 76 ARG QG 135 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.056 0 0
1 77 PRO QB 95 no 100.0 100.0 1.582 1.582 0.000 8 2 no 0.000 0 0
1 77 PRO QD 22 no 100.0 100.0 0.802 0.802 0.000 20 7 no 0.056 0 0
1 77 PRO QG 73 no 100.0 100.0 1.163 1.163 0.000 10 4 no 0.000 0 0
1 78 VAL QG 13 no 100.0 99.6 17.555 17.621 0.066 28 16 no 0.814 0 2
1 79 GLY QA 94 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 80 MET QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 MET QG 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 81 ASP QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 83 LEU QB 72 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 83 LEU QD 6 no 100.0 100.0 9.223 9.223 0.000 34 7 no 0.005 0 0
1 84 ASN QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 84 ASN QD 77 no 100.0 100.0 1.157 1.157 0.000 9 0 no 0.000 0 0
1 85 SER QB 86 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 87 ILE QG 79 no 100.0 100.0 2.844 2.844 0.000 9 2 no 0.004 0 0
1 88 GLU QB 183 no 100.0 100.0 1.872 1.872 0.000 3 0 no 0.000 0 0
1 88 GLU QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 89 ASN QB 33 no 100.0 100.0 0.856 0.856 0.000 17 7 no 0.007 0 0
1 89 ASN QD 45 no 100.0 100.0 1.720 1.720 0.000 14 7 no 0.021 0 0
1 90 LEU QB 61 no 100.0 100.0 0.520 0.520 0.000 11 7 no 0.000 0 0
1 90 LEU QD 5 no 100.0 100.0 15.772 15.772 0.000 35 14 no 0.006 0 0
1 91 MET QB 132 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 91 MET QG 48 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.001 0 0
1 93 SER QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 94 SER QB 93 no 100.0 100.0 0.767 0.767 0.000 8 2 no 0.000 0 0
1 95 SER QB 85 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.002 0 0
1 96 LYS QB 60 no 100.0 100.0 0.516 0.516 0.000 11 2 no 0.000 0 0
1 96 LYS QD 218 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 96 LYS QE 71 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.019 0 0
1 96 LYS QG 34 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.019 0 0
1 97 GLU QB 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 97 GLU QG 117 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.224 0 0
1 98 ASP QB 131 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 99 TRP QB 23 no 100.0 100.0 0.939 0.939 0.000 20 13 no 0.008 0 0
1 100 PRO QB 142 no 100.0 100.0 0.816 0.816 0.000 5 1 no 0.000 0 0
1 100 PRO QD 175 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 100 PRO QG 70 no 100.0 100.0 1.528 1.528 0.000 10 4 no 0.000 0 0
1 101 SER QB 134 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.001 0 0
1 102 VAL QG 16 no 100.0 100.0 15.428 15.428 0.000 25 5 no 0.004 0 0
1 103 ASN QB 65 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 103 ASN QD 76 no 100.0 100.0 1.914 1.914 0.000 9 0 no 0.001 0 0
1 104 MET QB 92 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.002 0 0
1 104 MET QG 91 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 105 ASN QB 37 no 100.0 100.0 1.594 1.594 0.000 15 2 no 0.000 0 0
1 105 ASN QD 20 no 100.0 100.0 1.455 1.455 0.000 21 6 no 0.005 0 0
1 106 VAL QG 12 no 100.0 100.0 38.879 38.879 0.000 28 4 no 0.002 0 0
1 108 ASP QB 84 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 111 VAL QG 24 no 100.0 100.0 20.580 20.580 0.000 19 4 no 0.000 0 0
1 113 VAL QG 9 no 100.0 100.0 31.040 31.040 0.000 30 5 no 0.005 0 0
1 114 ILE QG 21 no 100.0 100.0 0.791 0.791 0.000 20 6 no 0.000 0 0
1 115 SER QB 56 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.008 0 0
1 116 GLU QB 98 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.040 0 0
1 116 GLU QG 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 117 LYS QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 117 LYS QG 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.064 0 0
1 118 ASN QB 97 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.003 0 0
1 119 GLU QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 GLU QG 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 120 GLU QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 120 GLU QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.034 0 0
1 121 GLU QB 46 no 0.0 0.0 0.000 0.000 0.000 14 8 no 0.008 0 0
1 121 GLU QG 66 no 100.0 100.0 1.416 1.416 0.000 10 3 no 0.033 0 0
1 122 VAL QG 83 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 123 LEU QB 55 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 123 LEU QD 17 no 100.0 100.0 13.561 13.561 0.000 24 4 no 0.006 0 0
1 124 VAL QG 11 no 100.0 100.0 23.206 23.206 0.000 29 6 no 0.000 0 0
1 125 GLU QB 140 no 100.0 100.0 0.825 0.825 0.000 5 0 no 0.000 0 0
1 125 GLU QG 115 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
1 126 CYS QB 26 no 100.0 100.0 2.337 2.337 0.000 19 5 no 0.006 0 0
1 127 ARG QB 63 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.004 0 0
1 127 ARG QD 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.036 0 0
1 127 ARG QG 82 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 128 VAL QG 15 no 100.0 100.0 8.674 8.674 0.000 25 2 no 0.002 0 0
1 129 ARG QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 129 ARG QD 149 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.130 0 0
1 129 ARG QG 148 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.116 0 0
1 130 PHE QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 131 LEU QB 51 no 100.0 100.0 0.656 0.656 0.000 12 4 no 0.001 0 0
1 131 LEU QD 44 no 100.0 0.0 0.000 0.000 0.000 14 6 no 0.000 0 0
1 132 SER QB 81 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 133 PHE QB 31 no 100.0 100.0 1.243 1.243 0.000 17 3 no 0.002 0 0
1 133 PHE QD 43 no 90.0 85.7 18.894 22.052 3.158 14 5 yes 3.418 9 12
1 134 MET QB 41 no 100.0 100.0 0.666 0.666 0.000 14 2 no 0.000 0 0
1 134 MET QG 80 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.019 0 0
1 135 GLY QA 96 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 136 VAL QG 2 no 100.0 100.0 27.699 27.699 0.000 42 10 no 0.001 0 0
1 137 GLY QA 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 138 LYS QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 138 LYS QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 139 ASP QB 59 no 100.0 100.0 0.829 0.829 0.000 11 0 no 0.000 0 0
1 140 VAL QG 14 no 100.0 100.0 11.225 11.225 0.000 26 7 no 0.008 0 0
1 141 HIS QB 58 no 100.0 100.0 1.040 1.040 0.000 11 0 no 0.001 0 0
1 143 PHE QB 64 no 100.0 100.0 1.520 1.520 0.000 10 2 no 0.017 0 0
1 145 PHE QB 28 no 100.0 100.0 0.307 0.307 0.000 18 6 no 0.000 0 0
1 147 MET QB 139 no 100.0 100.0 0.612 0.612 0.000 5 0 no 0.000 0 0
1 147 MET QG 40 no 100.0 100.0 3.140 3.140 0.000 14 2 no 0.000 0 0
1 148 ASP QB 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 151 ASN QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.008 0 0
1 152 GLN QB 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 152 GLN QG 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.053 0 0
1 153 ARG QB 190 no 100.0 100.0 0.791 0.791 0.000 2 0 no 0.000 0 0
1 153 ARG QD 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
1 153 ARG QG 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.005 0 0
1 154 PHE QB 90 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 155 GLU QB 130 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 156 CYS QB 89 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 157 HIS QB 47 no 100.0 100.0 2.265 2.265 0.000 13 0 no 0.020 0 0
1 158 VAL QG 3 no 100.0 100.0 22.718 22.718 0.000 38 8 no 0.002 0 0
1 159 PHE QB 42 no 100.0 100.0 0.642 0.642 0.000 14 4 no 0.000 0 0
1 160 TRP QB 38 no 100.0 100.0 2.058 2.058 0.000 15 6 no 0.002 0 0
1 161 CYS QB 50 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.008 0 0
1 162 GLU QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 162 GLU QG 110 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 163 PRO QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 163 PRO QD 187 no 100.0 100.0 0.722 0.722 0.000 2 0 no 0.000 0 0
1 163 PRO QG 186 no 100.0 100.0 1.097 1.097 0.000 2 0 no 0.000 0 0
1 164 ASN QB 174 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 164 ASN QD 49 no 100.0 100.0 1.510 1.510 0.000 12 3 no 0.006 0 0
1 167 ASN QB 69 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.053 0 0
1 167 ASN QD 68 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.053 0 0
1 168 VAL QG 8 no 100.0 100.0 20.443 20.443 0.000 32 10 no 0.001 0 0
1 169 SER QB 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 170 GLU QB 102 no 100.0 100.0 1.785 1.785 0.000 7 0 no 0.000 0 0
1 170 GLU QG 108 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
1 172 VAL QG 30 no 100.0 100.0 12.243 12.243 0.000 17 1 no 0.000 0 0
1 173 GLN QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 173 GLN QE 107 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 173 GLN QG 62 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 176 CYS QB 106 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.017 0 0
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