NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
453591 |
2ysz   |
10237 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2ysz
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 216
_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 9.573
_Stereo_assign_list.Total_e_high_states 408.959
_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 10 PRO QD 214 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 11 LYS QD 213 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 GLU QB 172 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.010 0 0
1 14 LEU QB 171 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.085 0 0
1 14 LEU QD 109 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.023 0 0
1 15 VAL QG 54 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.073 0 0
1 16 GLN QB 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 GLN QE 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 GLN QG 108 no 0.0 0.0 0.000 0.000 0.000 6 0 no 0.031 0 0
1 17 LYS QB 80 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.035 0 0
1 17 LYS QD 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 17 LYS QE 179 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 17 LYS QG 74 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.028 0 0
1 18 PHE QB 79 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 19 ARG QB 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.011 0 0
1 19 ARG QG 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 20 VAL QG 10 no 100.0 100.0 12.062 12.062 0.000 26 5 no 0.012 0 0
1 21 GLN QB 24 no 100.0 100.0 2.273 2.273 0.000 19 10 no 0.000 0 0
1 21 GLN QE 27 no 100.0 100.0 4.735 4.735 0.000 17 11 no 0.036 0 0
1 21 GLN QG 26 no 100.0 100.0 1.914 1.914 0.000 17 7 no 0.036 0 0
1 22 TYR QB 50 no 100.0 100.0 1.688 1.688 0.000 11 5 no 0.000 0 0
1 23 LEU QB 40 no 100.0 100.0 2.537 2.537 0.000 13 6 no 0.028 0 0
1 23 LEU QD 1 no 100.0 100.0 39.172 39.172 0.000 50 15 no 0.008 0 0
1 24 GLY QA 178 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 25 MET QB 107 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 25 MET QG 169 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 26 LEU QB 81 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 26 LEU QD 25 no 100.0 0.0 0.000 0.000 0.000 18 14 no 0.004 0 0
1 27 PRO QB 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 27 PRO QD 28 no 100.0 100.0 0.956 0.956 0.000 16 8 no 0.018 0 0
1 28 VAL QG 12 no 100.0 100.0 18.980 18.980 0.000 24 5 no 0.006 0 0
1 29 ASP QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 30 ARG QB 177 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 30 ARG QD 106 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.102 0 0
1 31 PRO QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 PRO QD 43 no 100.0 100.0 2.531 2.531 0.000 12 3 no 0.037 0 0
1 31 PRO QG 83 no 100.0 100.0 1.389 1.389 0.000 7 4 no 0.000 0 0
1 32 VAL QG 15 no 100.0 99.8 14.763 14.794 0.031 23 10 no 0.706 0 1
1 33 GLY QA 168 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 34 MET QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
1 34 MET QG 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.009 0 0
1 35 ASP QB 167 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 37 LEU QB 57 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.012 0 0
1 37 LEU QD 4 no 100.0 97.8 16.136 16.496 0.360 34 6 yes 1.624 3 3
1 38 ASN QB 166 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 ASN QD 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 39 SER QB 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 41 ILE QG 60 no 100.0 100.0 1.853 1.853 0.000 9 1 no 0.000 0 0
1 42 GLU QB 163 no 100.0 100.0 2.578 2.578 0.000 4 0 no 0.000 0 0
1 42 GLU QG 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.003 0 0
1 43 ASN QB 16 no 100.0 100.0 0.367 0.367 0.000 22 7 no 0.009 0 0
1 43 ASN QD 47 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 44 LEU QB 176 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 44 LEU QD 2 no 100.0 100.0 14.323 14.323 0.000 38 14 no 0.000 0 0
1 45 MET QB 104 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 45 MET QG 21 no 100.0 100.0 1.195 1.195 0.000 19 3 no 0.032 0 0
1 48 SER QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 49 SER QB 67 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.034 0 0
1 50 LYS QB 37 no 100.0 99.9 0.536 0.536 0.000 13 3 no 0.069 0 0
1 50 LYS QD 175 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.033 0 0
1 50 LYS QE 113 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 50 LYS QG 59 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.020 0 0
1 51 GLU QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 51 GLU QG 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.004 0 0
1 52 ASP QB 102 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 53 TRP QB 29 no 100.0 100.0 1.358 1.358 0.000 16 11 no 0.018 0 0
1 54 PRO QB 174 no 100.0 100.0 0.560 0.560 0.000 4 2 no 0.000 0 0
1 54 PRO QD 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 54 PRO QG 78 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 55 SER QB 216 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 56 VAL QG 9 no 100.0 100.0 18.773 18.773 0.000 27 8 no 0.000 0 0
1 57 ASN QB 23 no 100.0 100.0 2.636 2.636 0.000 19 8 no 0.000 0 0
1 57 ASN QD 56 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 58 MET QB 73 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.002 0 0
1 58 MET QG 30 no 100.0 100.0 1.191 1.191 0.000 15 2 no 0.023 0 0
1 59 ASN QB 53 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.045 0 0
1 59 ASN QD 18 no 100.0 100.0 2.279 2.279 0.000 21 6 no 0.005 0 0
1 60 VAL QG 52 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.011 0 0
1 62 ASP QB 158 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 65 VAL QG 17 no 100.0 100.0 19.461 19.461 0.000 21 3 no 0.005 0 0
1 67 VAL QG 14 no 100.0 100.0 18.663 18.665 0.003 23 3 no 0.123 0 0
1 68 ILE QG 46 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 69 SER QB 13 no 100.0 100.0 1.500 1.500 0.000 24 11 no 0.007 0 0
1 70 GLU QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 70 GLU QG 101 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 71 LYS QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 LYS QG 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
1 72 ASN QB 58 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.098 0 0
1 72 ASN QD 114 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.098 0 0
1 73 GLU QB 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 73 GLU QG 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 75 GLU QB 22 no 100.0 100.0 1.715 1.715 0.000 19 8 no 0.026 0 0
1 75 GLU QG 215 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.005 0 0
1 76 VAL QG 66 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 77 LEU QB 77 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 77 LEU QD 35 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.019 0 0
1 78 VAL QG 8 no 100.0 100.0 23.527 23.527 0.000 28 5 no 0.011 0 0
1 79 GLU QB 100 no 100.0 100.0 0.988 0.988 0.000 6 0 no 0.003 0 0
1 79 GLU QG 65 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.003 0 0
1 80 CYS QB 32 no 100.0 100.0 1.131 1.131 0.000 15 4 no 0.006 0 0
1 81 ARG QB 99 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.017 0 0
1 81 ARG QD 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 81 ARG QG 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 82 VAL QG 20 no 100.0 100.0 12.931 12.931 0.000 20 3 no 0.012 0 0
1 83 ARG QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 83 ARG QD 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 83 ARG QG 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 PHE QB 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 85 LEU QB 72 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 85 LEU QD 6 no 100.0 100.0 12.221 12.221 0.000 32 11 no 0.001 0 0
1 86 SER QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 PHE QB 31 no 100.0 100.0 0.839 0.839 0.000 15 4 no 0.024 0 0
1 87 PHE QD 39 no 85.0 81.8 26.237 32.075 5.838 13 6 yes 3.177 24 29
1 88 MET QB 64 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.020 0 0
1 88 MET QG 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.054 0 0
1 89 GLY QA 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 90 VAL QG 3 no 100.0 100.0 21.861 21.861 0.000 36 7 no 0.004 0 0
1 91 GLY QA 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 92 LYS QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.022 0 0
1 92 LYS QG 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 93 ASP QB 51 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 94 VAL QG 11 no 100.0 100.0 24.022 24.022 0.000 25 7 no 0.011 0 0
1 95 HIS QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 97 PHE QB 110 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 99 PHE QB 45 no 100.0 100.0 1.825 1.825 0.000 12 4 no 0.018 0 0
1 100 ILE QG 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.005 0 0
1 101 MET QB 48 no 100.0 100.0 0.507 0.507 0.000 11 0 no 0.000 0 0
1 101 MET QG 36 no 100.0 100.0 0.990 0.990 0.000 13 0 no 0.000 0 0
1 102 ASP QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.004 0 0
1 105 ASN QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 105 ASN QD 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 GLN QB 63 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 106 GLN QG 62 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.004 0 0
1 107 ARG QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.029 0 0
1 107 ARG QD 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
1 107 ARG QG 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.021 0 0
1 108 PHE QB 49 no 100.0 100.0 2.758 2.758 0.000 11 2 no 0.014 0 0
1 109 GLU QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 109 GLU QG 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.023 0 0
1 110 CYS QB 44 no 100.0 100.0 1.892 1.892 0.000 12 4 no 0.005 0 0
1 111 HIS QB 33 no 100.0 100.0 1.888 1.888 0.000 14 0 no 0.000 0 0
1 112 VAL QG 7 no 100.0 100.0 18.241 18.241 0.000 30 8 no 0.004 0 0
1 113 PHE QB 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 114 TRP QB 38 no 100.0 100.0 1.065 1.065 0.000 13 5 no 0.000 0 0
1 115 CYS QB 55 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 116 GLU QB 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 116 GLU QG 94 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.014 0 0
1 117 PRO QD 194 no 100.0 100.0 0.395 0.395 0.000 2 0 no 0.000 0 0
1 117 PRO QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 118 ASN QB 71 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 118 ASN QD 42 no 100.0 100.0 0.299 0.299 0.000 12 2 no 0.010 0 0
1 121 ASN QB 93 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 121 ASN QD 92 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 122 VAL QG 5 no 100.0 100.0 15.207 15.207 0.000 34 9 no 0.003 0 0
1 123 SER QB 91 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 124 GLU QB 90 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.133 0 0
1 124 GLU QG 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 126 VAL QG 19 no 100.0 100.0 13.922 13.922 0.000 20 2 no 0.000 0 0
1 127 GLN QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 127 GLN QE 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 127 GLN QG 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 130 CYS QB 89 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 131 SER QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.017 0 0
1 133 PRO QD 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 134 SER QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 137 ILE QG 88 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 138 GLU QG 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.034 0 0
1 140 ARG QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 140 ARG QG 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.032 0 0
1 154 ASP QB 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 157 VAL QG 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 159 PRO QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 159 PRO QD 82 no 100.0 100.0 0.584 0.584 0.000 7 0 no 0.000 0 0
1 159 PRO QG 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 160 GLU QB 134 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 160 GLU QG 87 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 161 GLU QB 133 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 161 GLU QG 61 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.207 0 0
1 162 ARG QG 132 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 163 HIS QB 131 no 100.0 100.0 1.727 1.727 0.000 4 0 no 0.000 0 0
1 164 LEU QB 130 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 164 LEU QD 41 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.022 0 0
1 165 SER QB 186 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 166 LYS QB 129 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.021 0 0
1 166 LYS QD 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 166 LYS QG 128 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 167 MET QB 70 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 167 MET QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 168 GLN QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 168 GLN QE 112 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.011 0 0
1 168 GLN QG 173 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.003 0 0
1 169 GLN QB 117 no 100.0 100.0 0.800 0.800 0.000 5 0 no 0.004 0 0
1 169 GLN QG 86 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.033 0 0
1 170 ASN QB 127 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.013 0 0
1 170 ASN QD 116 no 100.0 100.0 0.759 0.759 0.000 5 0 no 0.000 0 0
1 171 GLY QA 126 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 172 TYR QB 85 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.056 0 0
1 173 GLU QB 69 no 0.0 0.0 0.000 2.241 2.241 8 2 no 0.077 0 0
1 173 GLU QG 76 no 0.0 0.0 0.000 1.084 1.084 8 4 no 0.079 0 0
1 174 ASN QB 68 no 100.0 100.0 1.703 1.703 0.000 8 1 no 0.009 0 0
1 174 ASN QD 34 no 100.0 100.0 1.139 1.139 0.000 14 3 no 0.019 0 0
1 175 PRO QD 125 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 175 PRO QG 115 no 100.0 100.0 1.804 1.804 0.000 5 0 no 0.084 0 0
1 177 TYR QB 84 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 178 LYS QB 111 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 178 LYS QD 124 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 178 LYS QE 75 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.013 0 0
1 178 LYS QG 182 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.134 0 0
1 179 PHE QB 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 180 PHE QB 122 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.024 0 0
1 181 GLU QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 181 GLU QG 121 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.039 0 0
1 182 GLN QB 120 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.153 0 0
1 182 GLN QG 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 183 MET QG 119 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.195 0 0
1 184 GLN QG 118 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
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