NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
646138 |
6r5g   |
34384 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6r5g
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 191
_Stereo_assign_list.Swap_count 36
_Stereo_assign_list.Swap_percentage 18.8
_Stereo_assign_list.Deassign_count 17
_Stereo_assign_list.Deassign_percentage 8.9
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 36.672
_Stereo_assign_list.Total_e_high_states 626.110
_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 2 PRO QB 169 yes 100.0 99.8 1.175 1.178 0.003 9 4 no 0.146 0 0
1 2 PRO QD 164 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 3 MET QB 152 no 100.0 0.0 0.000 0.000 0.000 13 4 no 0.000 0 0
1 3 MET QG 170 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 5 ASP QB 123 no 60.0 90.6 0.282 0.312 0.029 20 5 no 0.528 0 1
1 6 PRO QB 66 yes 100.0 84.2 1.088 1.292 0.204 32 19 yes 1.146 1 2
1 6 PRO QD 64 yes 100.0 97.2 1.513 1.556 0.043 32 15 no 0.528 0 1
1 6 PRO QG 112 yes 100.0 100.0 5.284 5.285 0.002 23 12 no 0.063 0 0
1 8 SER QB 166 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 9 GLU QG 88 no 100.0 99.6 2.194 2.203 0.010 26 1 no 0.215 0 0
1 10 ARG QB 49 yes 100.0 98.7 0.610 0.618 0.008 36 17 no 0.280 0 0
1 10 ARG QG 79 no 90.0 92.6 0.218 0.235 0.017 28 14 no 0.310 0 0
1 11 TRP QB 63 no 100.0 100.0 0.111 0.111 0.000 32 13 no 0.000 0 0
1 12 PHE QB 80 no 100.0 0.0 0.000 0.000 0.000 27 8 no 0.000 0 0
1 13 HIS QB 41 no 100.0 100.0 0.841 0.841 0.000 40 24 no 0.000 0 0
1 14 GLY QA 72 no 100.0 100.0 0.635 0.636 0.000 29 9 no 0.044 0 0
1 15 HIS QB 143 no 100.0 0.0 0.000 0.000 0.000 15 5 no 0.000 0 0
1 16 LEU QB 28 no 100.0 100.0 0.389 0.389 0.000 47 29 no 0.027 0 0
1 16 LEU QD 13 no 100.0 99.9 11.634 11.641 0.008 75 35 no 0.133 0 0
1 17 SER QB 107 no 60.0 35.2 0.106 0.301 0.195 24 14 no 0.878 0 4
1 18 GLY QA 74 yes 100.0 99.9 0.857 0.858 0.001 28 6 no 0.086 0 0
1 19 LYS QB 104 no 100.0 99.4 0.328 0.330 0.002 24 12 no 0.118 0 0
1 19 LYS QG 153 no 100.0 99.9 0.002 0.002 0.000 13 5 no 0.113 0 0
1 20 GLU QB 43 no 100.0 100.0 0.966 0.966 0.000 39 20 no 0.000 0 0
1 20 GLU QG 86 no 80.0 93.5 0.071 0.076 0.005 27 16 no 0.373 0 0
1 22 GLU QB 77 no 100.0 100.0 0.072 0.072 0.000 28 13 no 0.427 0 0
1 22 GLU QG 69 no 80.0 35.5 0.079 0.223 0.144 31 16 no 0.802 0 3
1 23 LYS QD 184 no 100.0 100.0 0.093 0.093 0.000 3 2 no 0.966 0 1
1 23 LYS QE 188 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 23 LYS QG 101 yes 100.0 100.0 1.116 1.116 0.000 24 10 no 0.000 0 0
1 24 LEU QB 24 no 100.0 96.3 8.445 8.767 0.322 50 33 no 0.125 0 0
1 24 LEU QD 16 no 100.0 88.6 22.228 25.078 2.850 66 31 yes 1.368 5 6
1 25 LEU QB 31 yes 100.0 100.0 2.079 2.079 0.000 45 27 no 0.000 0 0
1 25 LEU QD 1 no 100.0 97.8 33.947 34.703 0.756 116 61 yes 1.031 2 4
1 27 GLU QB 39 yes 100.0 99.7 1.960 1.967 0.006 40 20 no 0.000 0 0
1 27 GLU QG 67 no 70.0 76.5 0.257 0.336 0.079 31 14 yes 0.869 0 5
1 28 LYS QB 52 yes 100.0 99.9 1.795 1.796 0.002 36 26 no 0.074 0 0
1 28 LYS QD 109 yes 100.0 100.0 1.311 1.311 0.000 24 19 no 0.000 0 0
1 28 LYS QG 108 yes 100.0 100.0 0.946 0.947 0.000 24 15 no 0.000 0 0
1 29 GLY QA 36 no 40.0 99.9 0.010 0.010 0.000 41 26 no 0.011 0 0
1 30 LYS QB 93 yes 100.0 99.8 0.304 0.305 0.001 26 17 no 0.076 0 0
1 30 LYS QG 128 no 50.0 77.7 0.026 0.034 0.008 19 11 no 0.000 0 0
1 31 HIS QB 99 no 90.0 100.0 0.414 0.414 0.000 24 8 no 0.000 0 0
1 32 GLY QA 44 yes 100.0 99.8 2.547 2.553 0.006 38 16 no 0.234 0 0
1 33 SER QB 20 no 80.0 52.5 0.258 0.492 0.234 54 30 no 0.698 0 6
1 34 PHE QB 22 no 100.0 100.0 0.352 0.352 0.000 53 30 no 0.000 0 0
1 35 LEU QB 51 yes 100.0 99.8 0.346 0.346 0.001 36 22 no 0.060 0 0
1 35 LEU QD 2 no 100.0 98.5 17.024 17.287 0.263 105 53 no 0.419 0 0
1 36 VAL QG 3 no 100.0 98.4 24.791 25.195 0.405 98 41 no 0.214 0 0
1 37 ARG QB 37 yes 100.0 94.0 4.866 5.175 0.309 41 28 no 0.000 0 0
1 37 ARG QD 30 no 40.0 8.5 0.087 1.018 0.931 45 26 no 0.079 0 0
1 37 ARG QG 65 no 100.0 98.5 1.576 1.599 0.024 32 18 no 0.226 0 0
1 38 GLU QB 76 no 100.0 100.0 3.615 3.616 0.001 28 10 no 0.080 0 0
1 38 GLU QG 58 no 90.0 100.0 0.271 0.271 0.000 33 11 no 0.000 0 0
1 39 SER QB 53 no 100.0 83.2 1.626 1.953 0.327 35 13 no 0.000 0 0
1 40 GLN QB 175 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 40 GLN QE 118 no 100.0 96.1 2.164 2.252 0.089 22 10 no 0.878 0 1
1 40 GLN QG 117 no 100.0 99.8 0.830 0.832 0.002 22 10 no 0.125 0 0
1 41 SER QB 165 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 42 HIS QB 92 yes 100.0 99.9 0.884 0.884 0.000 26 13 no 0.055 0 0
1 43 PRO QB 136 no 60.0 51.0 0.046 0.091 0.045 18 12 no 0.385 0 0
1 43 PRO QD 106 no 60.0 44.2 0.037 0.084 0.047 24 14 no 0.385 0 0
1 43 PRO QG 150 no 100.0 100.0 0.007 0.007 0.000 14 8 no 0.125 0 0
1 44 GLY QA 158 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 45 ASP QB 73 no 100.0 91.8 0.292 0.318 0.026 29 13 no 0.013 0 0
1 46 PHE QB 59 yes 100.0 100.0 0.375 0.375 0.000 33 12 no 0.000 0 0
1 47 VAL QG 8 no 90.0 82.9 6.396 7.716 1.320 82 35 yes 1.748 2 10
1 48 LEU QB 45 yes 100.0 99.4 5.389 5.423 0.034 38 19 no 0.218 0 0
1 48 LEU QD 6 no 100.0 98.2 34.727 35.352 0.625 88 34 yes 1.206 1 1
1 49 SER QB 29 no 90.0 76.9 1.504 1.955 0.451 45 19 yes 1.213 1 3
1 50 VAL QG 15 no 100.0 94.4 29.584 31.323 1.739 67 19 no 0.237 0 0
1 51 ARG QB 21 no 100.0 99.8 2.947 2.953 0.005 54 35 no 0.000 0 0
1 51 ARG QD 26 no 90.0 100.0 0.096 0.096 0.000 49 26 no 0.000 0 0
1 51 ARG QG 40 no 100.0 0.0 0.000 0.000 0.000 40 22 no 0.000 0 0
1 53 GLY QA 35 no 100.0 99.9 2.404 2.406 0.002 41 15 no 0.089 0 0
1 54 ASP QB 119 no 40.0 49.5 0.383 0.774 0.390 22 12 no 0.836 0 6
1 55 ASP QB 141 no 80.0 90.4 0.269 0.298 0.029 15 4 no 0.451 0 0
1 56 LYS QB 122 no 100.0 97.7 0.191 0.196 0.005 21 9 no 0.170 0 0
1 56 LYS QD 176 no 50.0 8.2 0.020 0.247 0.227 5 3 no 0.925 0 2
1 56 LYS QG 125 no 50.0 55.5 0.149 0.269 0.119 20 11 no 0.451 0 0
1 57 GLY QA 140 no 60.0 38.7 0.044 0.114 0.070 16 7 no 0.515 0 1
1 58 GLU QB 157 no 90.0 85.4 0.038 0.044 0.006 11 4 no 0.254 0 0
1 58 GLU QG 163 no 80.0 71.0 0.042 0.059 0.017 10 4 no 0.376 0 0
1 59 SER QB 154 no 20.0 1.3 0.002 0.142 0.141 13 7 no 0.836 0 2
1 60 ASN QB 139 no 70.0 63.9 0.004 0.006 0.002 17 8 no 0.115 0 0
1 60 ASN QD 159 no 60.0 73.2 0.099 0.135 0.036 11 8 no 0.979 0 1
1 61 ASP QB 149 no 70.0 58.6 0.016 0.028 0.011 14 5 no 0.259 0 0
1 62 GLY QA 135 no 70.0 63.0 0.099 0.157 0.058 18 10 no 0.491 0 0
1 63 LYS QB 132 yes 100.0 98.9 1.362 1.376 0.015 18 5 no 0.342 0 0
1 63 LYS QD 178 no 70.0 88.1 0.428 0.486 0.058 4 1 no 0.539 0 1
1 64 SER QB 81 no 100.0 89.5 1.221 1.364 0.143 27 10 no 0.802 0 3
1 65 LYS QB 54 no 70.0 76.7 1.437 1.873 0.436 35 16 no 0.886 0 7
1 65 LYS QD 182 no 20.0 8.6 0.001 0.006 0.006 3 1 no 0.196 0 0
1 65 LYS QE 191 no 30.0 40.4 0.130 0.322 0.192 1 1 no 0.886 0 3
1 65 LYS QG 181 no 70.0 82.0 0.018 0.021 0.004 3 1 no 0.299 0 0
1 66 VAL QG 4 no 100.0 99.8 28.204 28.271 0.067 97 36 no 0.579 0 1
1 68 HIS QB 38 no 100.0 99.3 1.315 1.324 0.009 40 15 no 0.121 0 0
1 69 VAL QG 7 no 100.0 96.9 32.507 33.554 1.047 84 31 yes 1.420 1 1
1 70 MET QB 100 no 100.0 100.0 0.758 0.758 0.000 24 10 no 0.000 0 0
1 70 MET QG 83 no 30.0 3.2 0.011 0.346 0.335 27 12 no 0.318 0 0
1 71 ILE QG 55 yes 100.0 76.7 1.014 1.323 0.309 34 12 no 0.036 0 0
1 72 ARG QB 90 no 70.0 74.9 0.039 0.052 0.013 26 11 no 0.234 0 0
1 72 ARG QD 85 no 90.0 72.7 2.322 3.194 0.872 27 16 no 0.223 0 0
1 72 ARG QG 56 no 90.0 82.9 1.624 1.959 0.335 34 17 no 0.914 0 2
1 73 CYS QB 120 no 10.0 100.0 0.000 0.000 0.000 21 0 no 0.000 0 0
1 74 GLN QB 131 no 10.0 38.7 0.002 0.005 0.003 18 5 no 0.177 0 0
1 74 GLN QE 151 no 100.0 95.2 0.012 0.013 0.001 14 10 no 0.223 0 0
1 74 GLN QG 190 no 10.0 100.0 0.088 0.088 0.000 1 1 no 0.000 0 0
1 75 GLU QB 148 yes 80.0 72.3 0.128 0.177 0.049 14 4 no 0.470 0 0
1 75 GLU QG 168 no 80.0 77.2 0.158 0.205 0.047 9 2 no 0.470 0 0
1 76 LEU QB 147 no 100.0 99.7 1.517 1.521 0.005 14 4 no 0.075 0 0
1 76 LEU QD 95 no 100.0 98.5 8.499 8.627 0.128 25 7 no 0.739 0 2
1 77 LYS QB 68 no 100.0 99.9 0.845 0.845 0.001 31 16 no 0.084 0 0
1 77 LYS QD 116 no 100.0 100.0 0.444 0.444 0.000 22 10 no 0.000 0 0
1 77 LYS QG 134 yes 100.0 99.8 1.526 1.530 0.004 18 9 no 0.171 0 0
1 78 TYR QB 25 no 100.0 100.0 1.540 1.540 0.000 49 21 no 0.000 0 0
1 79 ASP QB 60 no 100.0 97.6 0.411 0.421 0.010 33 15 no 0.141 0 0
1 80 VAL QG 10 no 90.0 85.6 19.156 22.376 3.221 80 36 yes 2.287 8 12
1 81 GLY QA 127 yes 100.0 99.7 1.514 1.518 0.004 19 9 no 0.187 0 0
1 82 GLY QA 161 no 100.0 100.0 0.001 0.001 0.000 10 0 no 0.112 0 0
1 83 GLY QA 146 no 80.0 85.9 0.775 0.902 0.127 14 4 no 0.063 0 0
1 84 GLU QB 138 no 100.0 99.9 0.129 0.129 0.000 17 7 no 0.028 0 0
1 84 GLU QG 142 no 50.0 58.7 0.009 0.016 0.007 15 5 no 0.157 0 0
1 85 ARG QB 115 no 100.0 100.0 0.103 0.103 0.000 23 14 no 0.000 0 0
1 85 ARG QD 130 no 100.0 2.7 0.020 0.730 0.710 19 13 no 0.084 0 0
1 85 ARG QG 129 no 100.0 100.0 0.129 0.129 0.000 19 12 no 0.017 0 0
1 86 PHE QB 34 no 40.0 100.0 0.007 0.007 0.000 42 19 no 0.000 0 0
1 87 ASP QB 156 no 60.0 81.6 0.683 0.838 0.154 11 4 no 0.739 0 2
1 88 SER QB 94 no 70.0 24.2 0.084 0.345 0.262 25 7 no 0.717 0 2
1 89 LEU QB 47 yes 100.0 91.4 1.025 1.122 0.097 37 17 no 0.111 0 0
1 89 LEU QD 5 no 100.0 89.2 27.994 31.375 3.381 95 42 no 0.171 0 0
1 91 ASP QB 110 no 100.0 100.0 0.026 0.026 0.000 23 9 no 0.183 0 0
1 92 LEU QB 23 no 100.0 97.8 0.277 0.283 0.006 50 31 no 0.000 0 0
1 92 LEU QD 9 no 100.0 98.0 20.679 21.106 0.426 81 31 yes 1.787 1 1
1 93 VAL QG 14 no 100.0 98.6 30.631 31.075 0.445 69 28 no 0.164 0 0
1 94 GLU QB 173 no 100.0 100.0 0.822 0.822 0.000 7 2 no 0.000 0 0
1 94 GLU QG 121 no 60.0 80.5 0.558 0.693 0.135 21 4 yes 1.338 3 5
1 95 HIS QB 75 yes 100.0 100.0 0.134 0.134 0.000 28 10 no 0.000 0 0
1 96 TYR QB 32 no 100.0 95.1 1.872 1.969 0.097 44 22 no 0.000 0 0
1 97 LYS QB 71 yes 100.0 99.6 0.238 0.239 0.001 31 18 no 0.070 0 0
1 97 LYS QE 113 no 100.0 98.1 1.012 1.031 0.020 23 13 no 0.095 0 0
1 97 LYS QG 78 yes 90.0 93.5 1.817 1.942 0.126 28 14 yes 1.035 1 1
1 98 LYS QB 102 no 60.0 38.5 0.480 1.247 0.767 24 11 yes 1.605 5 14
1 98 LYS QD 185 yes 80.0 86.4 0.373 0.432 0.059 2 1 no 0.609 0 1
1 98 LYS QG 126 no 40.0 72.6 0.206 0.284 0.078 20 13 no 0.929 0 4
1 99 ASN QB 124 no 100.0 93.6 0.031 0.033 0.002 20 10 no 0.145 0 0
1 99 ASN QD 91 no 90.0 96.4 1.642 1.703 0.061 26 13 no 0.781 0 1
1 100 PRO QB 97 no 100.0 76.6 1.621 2.117 0.496 25 11 no 0.028 0 0
1 100 PRO QD 111 yes 100.0 100.0 0.220 0.220 0.000 23 10 no 0.000 0 0
1 101 MET QB 33 no 100.0 96.0 0.652 0.679 0.027 43 22 no 0.256 0 0
1 101 MET QG 27 no 60.0 53.1 0.338 0.637 0.299 48 29 yes 0.743 0 9
1 102 VAL QG 18 no 100.0 88.2 22.814 25.853 3.039 59 20 no 0.778 0 1
1 103 GLU QB 48 yes 100.0 99.8 0.358 0.358 0.001 36 7 no 0.041 0 0
1 103 GLU QG 42 yes 80.0 63.4 0.334 0.527 0.193 39 12 no 0.849 0 2
1 105 LEU QB 137 no 100.0 99.6 1.708 1.716 0.008 17 6 no 0.103 0 0
1 105 LEU QD 82 no 100.0 99.8 7.197 7.208 0.011 27 11 no 0.103 0 0
1 106 GLY QA 145 yes 100.0 99.5 2.908 2.924 0.016 14 4 no 0.118 0 0
1 108 VAL QG 19 no 90.0 88.4 11.624 13.149 1.525 56 26 yes 1.639 6 11
1 109 LEU QB 46 no 100.0 96.4 3.282 3.406 0.124 38 23 no 0.277 0 0
1 109 LEU QD 12 no 100.0 97.9 29.839 30.476 0.637 76 28 no 0.589 0 1
1 110 GLN QB 96 no 100.0 100.0 0.399 0.399 0.000 25 11 no 0.001 0 0
1 110 GLN QE 133 no 100.0 99.9 1.657 1.659 0.002 18 9 no 0.098 0 0
1 110 GLN QG 61 no 20.0 12.6 0.037 0.291 0.254 33 17 no 0.034 0 0
1 111 LEU QB 62 no 100.0 91.2 0.224 0.246 0.022 33 18 no 0.000 0 0
1 111 LEU QD 17 no 100.0 98.7 19.190 19.448 0.258 63 29 no 0.237 0 0
1 112 LYS QB 89 no 100.0 82.0 0.790 0.964 0.174 26 8 no 0.000 0 0
1 112 LYS QD 187 no 100.0 63.6 0.004 0.006 0.002 2 2 no 0.234 0 0
1 112 LYS QG 189 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 113 GLN QB 144 no 40.0 12.4 0.013 0.104 0.091 15 9 no 0.803 0 1
1 113 GLN QE 70 no 10.0 66.9 0.121 0.182 0.060 31 17 yes 1.284 1 1
1 114 PRO QB 84 yes 100.0 100.0 0.243 0.243 0.000 27 15 no 0.000 0 0
1 114 PRO QD 87 yes 100.0 82.2 2.491 3.029 0.539 27 18 yes 1.021 1 1
1 114 PRO QG 105 no 90.0 100.0 1.413 1.414 0.000 24 13 no 0.031 0 0
1 115 LEU QB 50 no 100.0 93.6 1.299 1.388 0.089 36 18 no 0.698 0 2
1 115 LEU QD 11 no 100.0 90.3 13.476 14.919 1.443 80 39 no 0.148 0 0
1 116 ASN QB 98 no 100.0 93.3 1.887 2.022 0.135 25 14 no 0.310 0 0
1 116 ASN QD 114 yes 100.0 99.9 0.574 0.574 0.000 23 14 no 0.037 0 0
1 119 ARG QB 160 no 90.0 85.3 0.089 0.105 0.015 10 0 no 0.393 0 0
2 1 GLU QB 177 no 70.0 26.1 0.059 0.225 0.166 4 0 no 0.913 0 2
2 1 GLU QG 180 no 100.0 100.0 0.003 0.003 0.000 3 0 no 0.174 0 0
2 2 GLN QB 162 no 60.0 22.6 0.006 0.025 0.020 10 3 no 0.440 0 0
2 2 GLN QE 186 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 2 GLN QG 174 no 90.0 70.8 0.003 0.004 0.001 7 4 no 0.115 0 0
2 4 GLU QB 171 no 100.0 0.0 0.000 0.000 0.000 7 0 no 0.000 0 0
2 4 GLU QG 172 no 90.0 90.8 0.006 0.007 0.001 7 1 no 0.164 0 0
2 8 ILE QG 103 no 100.0 98.8 1.077 1.090 0.013 24 12 no 0.183 0 0
2 9 VAL QG 57 no 100.0 99.9 10.298 10.305 0.007 33 3 no 0.120 0 0
2 10 PHE QB 167 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0
2 11 PRO QB 179 no 60.0 43.0 0.012 0.027 0.016 4 2 no 0.219 0 0
2 11 PRO QD 155 no 100.0 98.1 1.402 1.429 0.027 13 9 no 0.219 0 0
2 11 PRO QG 183 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
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