NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420846 |
2ell   |
11083 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2ell
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 225
_Stereo_assign_list.Swap_count 2
_Stereo_assign_list.Swap_percentage 0.9
_Stereo_assign_list.Deassign_count 4
_Stereo_assign_list.Deassign_percentage 1.8
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 12.631
_Stereo_assign_list.Total_e_high_states 724.718
_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 7 GLY QA 203 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 8 MET QB 172 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.051 0 0
1 8 MET QG 19 no 100.0 0.0 0.000 0.001 0.001 24 8 no 0.069 0 0
1 9 ASP QB 50 no 100.0 100.0 2.318 2.318 0.000 14 0 no 0.018 0 0
1 10 MET QG 124 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.009 0 0
1 12 ARG QD 159 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.003 0 0
1 12 ARG QG 158 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 13 ARG QB 54 no 100.0 99.9 1.337 1.337 0.001 14 5 no 0.069 0 0
1 13 ARG QD 35 no 100.0 100.0 2.300 2.300 0.000 18 10 no 0.043 0 0
1 14 ILE QG 65 no 100.0 100.0 6.468 6.468 0.000 13 3 no 0.021 0 0
1 15 HIS QB 59 no 100.0 100.0 2.804 2.804 0.000 13 1 no 0.000 0 0
1 16 LEU QB 46 no 100.0 100.0 1.057 1.057 0.000 15 7 no 0.009 0 0
1 16 LEU QD 34 no 100.0 0.0 0.000 0.000 0.000 18 8 no 0.015 0 0
1 17 GLU QB 171 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 17 GLU QG 170 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 18 LEU QB 111 no 100.0 100.0 0.927 0.927 0.000 9 0 no 0.014 0 0
1 18 LEU QD 98 no 0.0 0.0 0.000 0.002 0.002 10 2 no 0.093 0 0
1 19 ARG QB 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 19 ARG QD 223 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 20 ASN QB 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 21 ARG QB 145 no 100.0 100.0 0.675 0.675 0.000 7 2 no 0.045 0 0
1 21 ARG QD 130 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.012 0 0
1 21 ARG QG 221 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 PRO QB 53 no 100.0 100.0 1.300 1.300 0.000 14 5 no 0.011 0 0
1 23 PRO QD 51 no 100.0 99.9 1.824 1.826 0.001 14 2 no 0.085 0 0
1 23 PRO QG 157 no 100.0 99.9 3.217 3.221 0.005 6 0 no 0.100 0 0
1 26 VAL QG 4 no 100.0 100.0 49.903 49.903 0.000 33 8 no 0.027 0 0
1 27 ARG QB 156 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.003 0 0
1 27 ARG QG 210 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.013 0 0
1 28 GLU QB 114 no 100.0 100.0 1.621 1.621 0.000 9 3 no 0.008 0 0
1 28 GLU QG 82 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.010 0 0
1 29 LEU QB 40 no 100.0 99.9 0.623 0.623 0.000 16 6 no 0.051 0 0
1 29 LEU QD 14 no 100.0 100.0 8.070 8.071 0.000 26 10 no 0.051 0 0
1 30 VAL QG 81 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.081 0 0
1 32 ASP QB 220 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 33 ASN QB 219 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.006 0 0
1 34 CYS QB 80 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.021 0 0
1 35 LYS QB 155 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
1 36 SER QB 154 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.012 0 0
1 37 ASN QD 218 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 GLY QA 39 no 100.0 100.0 1.142 1.142 0.000 16 5 no 0.016 0 0
1 40 LYS QB 169 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.003 0 0
1 40 LYS QG 176 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 41 ILE QG 202 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 42 GLU QB 123 no 0.0 0.0 0.000 0.000 0.000 8 0 no 0.049 0 0
1 43 GLY QA 58 no 100.0 100.0 0.987 0.987 0.000 13 1 no 0.022 0 0
1 44 LEU QB 109 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.003 0 0
1 44 LEU QD 3 no 100.0 100.0 16.685 16.685 0.000 35 17 no 0.081 0 0
1 47 GLU QB 175 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 47 GLU QG 201 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 48 PHE QB 30 no 100.0 100.0 4.765 4.765 0.000 19 12 no 0.000 0 0
1 49 VAL QG 12 no 100.0 100.0 32.435 32.435 0.000 27 7 no 0.051 0 0
1 50 ASN QB 168 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 50 ASN QD 167 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.051 0 0
1 51 LEU QB 68 no 100.0 100.0 0.482 0.482 0.000 13 5 no 0.002 0 0
1 51 LEU QD 18 no 100.0 100.0 10.599 10.599 0.000 24 7 no 0.035 0 0
1 52 GLU QB 179 no 100.0 100.0 2.469 2.469 0.000 5 2 no 0.007 0 0
1 52 GLU QG 75 no 100.0 99.4 0.501 0.504 0.003 12 3 no 0.144 0 0
1 53 PHE QB 20 no 100.0 99.9 3.683 3.686 0.003 24 14 no 0.144 0 0
1 54 LEU QB 83 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.006 0 0
1 54 LEU QD 41 no 100.0 100.0 5.525 5.525 0.000 16 8 no 0.004 0 0
1 55 SER QB 104 no 0.0 0.0 0.000 0.000 0.000 10 4 no 0.010 0 0
1 56 LEU QB 177 no 100.0 100.0 1.235 1.235 0.000 6 5 no 0.012 0 0
1 56 LEU QD 97 no 100.0 100.0 2.694 2.694 0.000 10 2 no 0.012 0 0
1 57 ILE QG 122 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.057 0 0
1 58 ASN QD 200 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.045 0 0
1 59 VAL QG 13 no 100.0 100.0 38.191 38.191 0.000 26 7 no 0.012 0 0
1 60 GLY QA 199 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 61 LEU QB 29 no 100.0 100.0 2.971 2.971 0.000 19 8 no 0.014 0 0
1 61 LEU QD 22 no 100.0 100.0 11.798 11.798 0.000 23 7 no 0.016 0 0
1 62 ILE QG 61 no 100.0 100.0 2.369 2.369 0.000 13 2 no 0.021 0 0
1 63 SER QB 141 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 64 VAL QG 17 no 100.0 100.0 23.383 23.383 0.001 24 4 no 0.107 0 0
1 65 SER QB 153 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.013 0 0
1 66 ASN QB 92 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.027 0 0
1 66 ASN QD 38 no 100.0 100.0 1.365 1.365 0.000 16 3 no 0.038 0 0
1 67 LEU QB 88 no 100.0 100.0 2.317 2.317 0.000 11 7 no 0.002 0 0
1 67 LEU QD 87 no 100.0 100.0 6.623 6.623 0.000 11 5 no 0.009 0 0
1 68 PRO QB 198 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 68 PRO QD 16 no 100.0 100.0 1.093 1.094 0.000 25 15 no 0.081 0 0
1 68 PRO QG 115 no 100.0 100.0 1.885 1.885 0.000 9 5 no 0.009 0 0
1 69 LYS QB 144 no 100.0 100.0 2.021 2.021 0.000 7 0 no 0.006 0 0
1 69 LYS QG 140 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.009 0 0
1 70 LEU QB 116 no 100.0 100.0 1.431 1.431 0.000 9 6 no 0.000 0 0
1 70 LEU QD 24 no 100.0 100.0 17.042 17.042 0.000 21 8 no 0.004 0 0
1 71 PRO QB 113 no 100.0 100.0 1.430 1.430 0.001 9 2 no 0.037 0 0
1 71 PRO QD 45 no 100.0 100.0 1.193 1.193 0.000 15 7 no 0.026 0 0
1 71 PRO QG 71 no 100.0 100.0 3.443 3.444 0.000 13 9 no 0.033 0 0
1 72 LYS QB 129 no 100.0 100.0 1.155 1.155 0.000 8 2 no 0.000 0 0
1 72 LYS QG 79 no 100.0 100.0 1.082 1.082 0.000 12 4 no 0.005 0 0
1 73 LEU QB 209 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 73 LEU QD 9 no 100.0 100.0 16.285 16.285 0.000 28 5 no 0.012 0 0
1 74 LYS QG 197 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 LYS QB 27 no 100.0 100.0 4.706 4.706 0.000 20 9 no 0.040 0 0
1 75 LYS QD 108 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 75 LYS QE 139 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 75 LYS QG 138 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.057 0 0
1 76 LEU QB 208 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 76 LEU QD 64 no 100.0 100.0 17.904 17.904 0.000 13 3 no 0.031 0 0
1 77 GLU QB 37 no 100.0 100.0 3.648 3.648 0.000 16 0 no 0.009 0 0
1 77 GLU QG 196 no 0.0 0.0 0.000 0.000 0.000 4 0 no 0.060 0 0
1 78 LEU QB 195 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 78 LEU QD 78 no 100.0 100.0 11.891 11.891 0.000 12 4 no 0.004 0 0
1 80 GLU QB 73 no 100.0 100.0 1.753 1.753 0.000 12 0 no 0.016 0 0
1 80 GLU QG 91 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.010 0 0
1 81 ASN QB 44 no 100.0 100.0 1.855 1.855 0.000 15 5 no 0.004 0 0
1 81 ASN QD 52 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.004 0 0
1 82 ARG QB 152 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.037 0 0
1 82 ARG QG 194 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.090 0 0
1 83 ILE QG 207 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.011 0 0
1 84 PHE QB 70 no 100.0 100.0 1.352 1.352 0.000 13 6 no 0.029 0 0
1 85 GLY QA 66 no 100.0 100.0 3.281 3.281 0.000 13 4 no 0.043 0 0
1 87 LEU QB 48 no 100.0 100.0 1.794 1.794 0.000 15 9 no 0.013 0 0
1 87 LEU QD 69 no 100.0 100.0 11.653 11.653 0.000 13 6 no 0.010 0 0
1 88 ASP QB 166 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.020 0 0
1 89 MET QB 165 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.015 0 0
1 90 LEU QB 107 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.013 0 0
1 90 LEU QD 31 no 100.0 100.0 6.968 6.968 0.000 18 5 no 0.015 0 0
1 92 GLU QB 204 no 100.0 100.0 1.467 1.468 0.000 4 1 no 0.019 0 0
1 92 GLU QG 55 no 100.0 100.0 2.021 2.021 0.000 14 6 no 0.000 0 0
1 93 LYS QB 63 no 100.0 100.0 1.216 1.216 0.000 13 3 no 0.000 0 0
1 93 LYS QD 96 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.005 0 0
1 93 LYS QE 137 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.004 0 0
1 93 LYS QG 86 no 100.0 100.0 0.806 0.806 0.000 11 5 no 0.009 0 0
1 94 LEU QB 56 no 100.0 100.0 1.076 1.076 0.000 14 8 no 0.007 0 0
1 94 LEU QD 23 no 100.0 100.0 21.009 21.009 0.000 23 10 no 0.004 0 0
1 95 PRO QD 95 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.002 0 0
1 96 ASN QB 136 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.050 0 0
1 96 ASN QD 106 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.017 0 0
1 97 LEU QB 164 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 97 LEU QD 11 no 100.0 100.0 15.867 15.867 0.000 27 6 no 0.003 0 0
1 99 HIS QB 25 no 100.0 100.0 0.694 0.694 0.000 21 10 no 0.057 0 0
1 100 LEU QB 135 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 100 LEU QD 103 no 100.0 100.0 2.551 2.551 0.000 10 4 no 0.001 0 0
1 101 ASN QB 193 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 102 LEU QD 112 no 100.0 100.0 4.004 4.004 0.000 9 2 no 0.010 0 0
1 103 SER QB 102 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.006 0 0
1 104 GLY QA 121 no 100.0 100.0 1.831 1.831 0.000 8 0 no 0.030 0 0
1 105 ASN QB 28 no 100.0 100.0 1.029 1.029 0.000 19 6 no 0.000 0 0
1 105 ASN QD 49 no 100.0 0.0 0.000 0.000 0.000 14 0 no 0.004 0 0
1 106 LYS QB 101 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.002 0 0
1 106 LYS QG 192 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 107 LEU QB 143 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.007 0 0
1 107 LEU QD 2 no 100.0 100.0 46.920 46.920 0.000 35 11 no 0.016 0 0
1 110 ILE QG 36 no 100.0 100.0 6.115 6.115 0.000 17 3 no 0.022 0 0
1 111 SER QB 217 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 113 LEU QB 134 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 113 LEU QD 77 no 100.0 100.0 1.603 1.603 0.000 12 4 no 0.010 0 0
1 114 GLU QB 67 no 100.0 100.0 2.905 2.905 0.000 13 5 no 0.024 0 0
1 114 GLU QG 32 no 100.0 100.0 3.725 3.726 0.001 18 6 no 0.090 0 0
1 115 PRO QB 43 no 100.0 100.0 1.843 1.843 0.000 15 5 no 0.062 0 0
1 115 PRO QD 163 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 115 PRO QG 60 no 100.0 99.9 0.384 0.384 0.000 13 2 no 0.069 0 0
1 116 LEU QB 174 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 116 LEU QD 62 no 100.0 100.0 14.292 14.292 0.000 13 3 no 0.017 0 0
1 117 LYS QD 128 no 100.0 0.0 0.000 0.002 0.002 8 2 no 0.088 0 0
1 117 LYS QG 191 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 118 LYS QB 190 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.011 0 0
1 118 LYS QG 189 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.070 0 0
1 119 LEU QB 42 no 100.0 99.8 0.527 0.528 0.001 15 3 no 0.094 0 0
1 119 LEU QD 7 no 100.0 100.0 11.489 11.492 0.002 29 5 no 0.118 0 0
1 120 GLU QB 188 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 120 GLU QG 187 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.059 0 0
1 121 CYS QB 120 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.029 0 0
1 122 LEU QB 105 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.000 0 0
1 122 LEU QD 21 no 100.0 100.0 17.867 17.867 0.000 23 4 no 0.021 0 0
1 123 LYS QB 216 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 124 SER QB 162 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.019 0 0
1 125 LEU QB 142 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 125 LEU QD 76 no 100.0 100.0 2.903 2.903 0.000 12 4 no 0.001 0 0
1 126 ASP QB 90 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.006 0 0
1 127 LEU QB 173 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 127 LEU QD 131 no 100.0 100.0 3.441 3.441 0.000 8 3 no 0.005 0 0
1 128 PHE QB 133 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.006 0 0
1 129 ASN QD 186 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 130 CYS QB 33 no 100.0 100.0 3.230 3.230 0.000 18 8 no 0.048 0 0
1 131 GLU QB 151 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.186 0 0
1 131 GLU QG 100 no 0.0 0.0 0.000 0.003 0.003 10 4 no 0.129 0 0
1 132 VAL QG 1 no 100.0 94.5 41.997 44.427 2.430 47 14 yes 1.746 6 9
1 134 ASN QB 185 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
1 134 ASN QD 132 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.025 0 0
1 135 LEU QB 47 no 100.0 100.0 1.229 1.229 0.000 15 9 no 0.021 0 0
1 135 LEU QD 6 no 100.0 100.0 22.322 22.322 0.000 30 10 no 0.017 0 0
1 136 ASN QD 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 138 TYR QB 99 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.002 0 0
1 138 TYR QD 94 yes 75.0 64.2 2.802 4.363 1.561 10 2 yes 1.867 8 19
1 138 TYR QE 178 yes 75.0 62.9 3.849 6.120 2.272 5 2 yes 2.565 9 12
1 139 ARG QB 184 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 139 ARG QD 206 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.042 0 0
1 139 ARG QG 161 no 100.0 0.0 0.000 0.001 0.001 6 2 no 0.070 0 0
1 140 GLU QB 183 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 141 SER QB 127 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.082 0 0
1 142 VAL QG 26 no 100.0 81.7 28.138 34.442 6.304 20 6 yes 2.797 10 10
1 143 PHE QB 150 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 144 LYS QG 149 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.071 0 0
1 145 LEU QB 182 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 145 LEU QD 10 no 100.0 100.0 8.488 8.488 0.000 28 7 no 0.027 0 0
1 146 LEU QB 74 no 100.0 100.0 1.621 1.621 0.000 12 3 no 0.004 0 0
1 146 LEU QD 15 no 100.0 100.0 16.619 16.620 0.000 25 7 no 0.062 0 0
1 147 PRO QD 148 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 148 GLN QB 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 148 GLN QE 110 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.037 0 0
1 148 GLN QG 147 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.136 0 0
1 149 LEU QB 93 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.003 0 0
1 149 LEU QD 8 no 100.0 100.0 16.167 16.167 0.000 29 6 no 0.014 0 0
1 151 TYR QB 84 no 100.0 100.0 1.112 1.112 0.000 11 2 no 0.019 0 0
1 152 LEU QB 205 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 152 LEU QD 5 no 100.0 100.0 16.713 16.713 0.000 31 10 no 0.042 0 0
1 154 GLY QA 119 no 100.0 100.0 1.435 1.435 0.000 8 0 no 0.000 0 0
1 155 TYR QB 118 no 100.0 100.0 0.380 0.380 0.000 8 0 no 0.000 0 0
1 156 ASP QB 89 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.004 0 0
1 157 ARG QB 181 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.099 0 0
1 157 ARG QG 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.052 0 0
1 158 GLU QB 146 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.001 0 0
1 160 GLN QB 225 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.071 0 0
1 160 GLN QE 85 no 100.0 100.0 4.188 4.188 0.000 11 4 no 0.071 0 0
1 160 GLN QG 160 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.024 0 0
1 161 GLU QB 57 no 100.0 100.0 0.939 0.939 0.000 13 0 no 0.016 0 0
1 161 GLU QG 72 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 163 PRO QB 126 no 100.0 99.9 1.749 1.752 0.002 8 2 no 0.108 0 0
1 163 PRO QD 117 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.010 0 0
1 163 PRO QG 180 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 164 ASP QB 125 no 100.0 0.0 0.000 0.008 0.008 8 2 no 0.211 0 0
1 165 SER QB 212 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.203 0 0
1 166 ASP QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
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