NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
535890 |
2lpc   |
18250 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lpc
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 187
_Stereo_assign_list.Swap_count 39
_Stereo_assign_list.Swap_percentage 20.9
_Stereo_assign_list.Deassign_count 17
_Stereo_assign_list.Deassign_percentage 9.1
_Stereo_assign_list.Model_count 21
_Stereo_assign_list.Total_e_low_states 23.447
_Stereo_assign_list.Total_e_high_states 360.992
_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 MET QG 183 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 2 SER QB 182 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 3 GLN QE 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 4 SER QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 5 ASN QB 70 yes 95.2 96.6 0.122 0.126 0.004 12 6 no 0.298 0 0
1 5 ASN QD 45 no 28.6 100.0 0.031 0.031 0.000 15 6 no 0.003 0 0
1 6 ARG QG 181 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 7 GLU QB 92 no 100.0 100.0 0.078 0.078 0.000 10 4 no 0.432 0 0
1 7 GLU QG 129 yes 85.7 63.4 0.116 0.183 0.067 6 1 no 0.696 0 3
1 8 LEU QB 33 yes 100.0 99.7 0.481 0.482 0.001 17 6 no 0.000 0 0
1 8 LEU QD 2 no 100.0 99.1 19.043 19.210 0.167 42 15 no 0.886 0 2
1 9 VAL QG 6 no 100.0 98.2 18.892 19.234 0.342 36 9 yes 0.968 0 11
1 10 VAL QG 26 no 76.2 15.9 0.317 1.985 1.668 18 2 no 0.267 0 0
1 11 ASP QB 98 no 100.0 0.0 0.000 0.000 0.000 9 1 no 0.000 0 0
1 12 PHE QB 89 no 100.0 0.0 0.000 0.000 0.000 10 1 no 0.000 0 0
1 13 LEU QB 42 yes 100.0 99.3 1.662 1.675 0.012 15 2 no 0.267 0 0
1 13 LEU QD 32 no 100.0 99.7 15.679 15.733 0.054 17 3 no 0.416 0 0
1 14 SER QB 143 no 81.0 51.1 0.034 0.066 0.032 5 1 no 0.449 0 0
1 15 TYR QB 138 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.034 0 0
1 17 LEU QB 48 yes 100.0 100.0 0.533 0.533 0.000 15 7 no 0.000 0 0
1 17 LEU QD 1 no 100.0 94.7 29.343 30.972 1.630 50 20 yes 1.200 5 30
1 18 SER QB 106 no 81.0 21.2 0.028 0.135 0.106 8 0 no 0.758 0 5
1 19 GLN QE 93 no 95.2 66.8 0.727 1.087 0.361 10 6 no 0.250 0 0
1 19 GLN QG 61 no 76.2 51.0 0.007 0.013 0.007 13 7 no 0.169 0 0
1 20 LYS QB 16 yes 76.2 51.5 0.403 0.783 0.380 26 9 yes 1.519 4 5
1 20 LYS QD 170 yes 95.2 95.1 1.215 1.277 0.062 2 1 no 0.969 0 1
1 20 LYS QG 27 yes 95.2 79.5 2.225 2.800 0.575 18 6 yes 1.303 4 4
1 21 GLY QA 137 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 22 TYR QB 43 no 100.0 100.0 0.000 0.000 0.000 15 3 no 0.072 0 0
1 23 SER QB 169 no 9.5 82.3 0.004 0.005 0.001 2 1 no 0.127 0 0
1 24 TRP QB 51 no 100.0 0.0 0.000 0.000 0.000 14 1 no 0.000 0 0
1 26 GLN QB 69 no 19.0 99.9 0.042 0.042 0.000 12 5 no 0.027 0 0
1 26 GLN QE 127 no 23.8 100.0 0.005 0.005 0.000 7 6 no 0.000 0 0
1 26 GLN QG 34 no 85.7 42.6 0.019 0.046 0.026 17 10 no 0.742 0 2
1 27 PHE QB 64 no 100.0 0.0 0.000 0.000 0.000 12 1 no 0.000 0 0
1 28 SER QB 87 no 42.9 96.2 0.121 0.126 0.005 10 0 no 0.277 0 0
1 30 VAL QG 158 no 100.0 100.0 2.098 2.098 0.000 3 0 no 0.000 0 0
1 31 GLU QB 159 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 31 GLU QG 187 no 4.8 100.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 33 ASN QB 81 yes 90.5 99.6 0.209 0.209 0.001 11 4 no 0.102 0 0
1 33 ASN QD 155 no 61.9 100.0 0.100 0.100 0.000 4 4 no 0.000 0 0
1 34 ARG QB 109 no 33.3 71.5 0.112 0.156 0.044 8 1 no 0.394 0 0
1 34 ARG QD 186 no 66.7 9.9 0.004 0.044 0.040 1 1 no 0.394 0 0
1 36 GLU QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 38 PRO QB 103 yes 100.0 91.4 0.181 0.198 0.017 9 5 no 0.432 0 0
1 38 PRO QD 40 no 81.0 66.4 0.093 0.140 0.047 16 7 no 0.549 0 1
1 38 PRO QG 118 no 100.0 100.0 0.067 0.067 0.000 8 4 no 0.000 0 0
1 39 GLU QB 149 yes 95.2 94.3 0.141 0.150 0.009 4 0 no 0.425 0 0
1 42 GLU QB 125 no 81.0 13.8 0.007 0.051 0.044 7 2 no 0.432 0 0
1 42 GLU QG 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 SER QB 152 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 44 GLU QB 185 no 14.3 100.0 0.001 0.001 0.000 1 1 no 0.000 0 0
1 46 VAL QG 3 no 100.0 93.7 17.600 18.787 1.186 41 15 yes 2.234 4 5
1 47 LYS QB 114 yes 100.0 100.0 0.418 0.418 0.000 8 2 no 0.000 0 0
1 47 LYS QG 161 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 48 GLN QB 31 no 95.2 77.7 0.028 0.037 0.008 17 1 no 0.370 0 0
1 48 GLN QE 153 no 38.1 98.5 0.049 0.050 0.001 4 2 no 0.104 0 0
1 48 GLN QG 184 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 50 LEU QB 52 yes 100.0 100.0 0.199 0.199 0.000 14 2 no 0.000 0 0
1 50 LEU QD 12 no 100.0 99.4 22.103 22.238 0.136 28 6 no 0.834 0 3
1 52 GLU QB 136 no 100.0 100.0 0.026 0.026 0.000 5 0 no 0.187 0 0
1 52 GLU QG 66 no 28.6 69.7 0.212 0.303 0.092 12 3 no 0.966 0 1
1 54 GLY QA 142 yes 100.0 100.0 0.218 0.218 0.000 5 1 no 0.000 0 0
1 55 ASP QB 135 no 9.5 100.0 0.001 0.001 0.000 5 0 no 0.000 0 0
1 56 GLU QB 180 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 56 GLU QG 179 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 57 PHE QB 168 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 58 GLU QB 113 yes 90.5 91.8 0.707 0.770 0.063 8 2 no 0.937 0 2
1 58 GLU QG 112 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 59 LEU QB 74 no 100.0 0.0 0.000 0.000 0.000 11 0 no 0.000 0 0
1 60 ARG QB 50 no 90.5 94.2 0.037 0.040 0.002 14 1 no 0.276 0 0
1 60 ARG QG 75 no 14.3 100.0 0.079 0.079 0.000 11 1 no 0.000 0 0
1 61 TYR QB 62 no 100.0 96.3 0.058 0.060 0.002 12 0 no 0.567 0 1
1 62 ARG QB 123 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 63 ARG QB 97 no 100.0 0.0 0.000 0.000 0.000 9 1 no 0.000 0 0
1 65 PHE QB 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 67 ASP QB 148 no 100.0 100.0 0.003 0.003 0.000 4 0 no 0.257 0 0
1 68 LEU QB 101 yes 100.0 100.0 0.296 0.296 0.000 9 2 no 0.000 0 0
1 68 LEU QD 85 no 71.4 66.5 1.014 1.525 0.512 11 6 yes 1.157 6 16
1 71 GLN QE 72 no 52.4 0.0 0.000 0.827 0.827 12 8 yes 1.394 4 23
1 71 GLN QG 25 no 100.0 100.0 0.298 0.298 0.000 19 10 no 0.000 0 0
1 72 LEU QB 117 no 42.9 19.5 0.006 0.031 0.025 8 4 no 0.000 0 0
1 72 LEU QD 71 no 85.7 82.5 2.205 2.673 0.467 12 7 yes 1.468 5 6
1 73 HIS QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 74 ILE QG 108 no 100.0 96.2 0.053 0.056 0.002 8 1 no 0.051 0 0
1 77 GLY QA 126 no 100.0 72.7 1.477 2.031 0.554 7 4 no 0.932 0 2
1 80 TYR QB 105 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 81 GLN QB 86 no 100.0 100.0 0.071 0.071 0.000 10 0 no 0.552 0 2
1 81 GLN QE 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 PHE QB 80 no 100.0 0.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 84 GLU QB 95 yes 100.0 100.0 0.101 0.101 0.000 9 0 no 0.000 0 0
1 84 GLU QG 160 no 9.5 100.0 0.005 0.005 0.000 3 2 no 0.000 0 0
1 85 GLN QB 141 yes 100.0 100.0 0.256 0.256 0.000 5 1 no 0.000 0 0
1 85 GLN QE 144 no 23.8 100.0 0.045 0.045 0.000 5 3 no 0.000 0 0
1 85 GLN QG 91 no 28.6 72.3 0.015 0.020 0.006 10 3 no 0.243 0 0
1 86 VAL QG 15 no 100.0 99.9 3.309 3.314 0.005 26 9 no 0.231 0 0
1 87 VAL QG 18 no 100.0 99.3 4.882 4.914 0.032 24 6 no 0.417 0 0
1 88 ASN QB 68 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 88 ASN QD 84 no 100.0 100.0 0.499 0.499 0.000 11 6 no 0.000 0 0
1 89 GLU QB 134 no 100.0 100.0 0.001 0.001 0.000 5 0 no 0.045 0 0
1 89 GLU QG 146 no 100.0 93.5 0.048 0.051 0.003 4 0 no 0.403 0 0
1 90 LEU QB 39 yes 100.0 100.0 0.839 0.839 0.000 16 5 no 0.011 0 0
1 90 LEU QD 8 no 100.0 91.1 7.721 8.478 0.757 31 15 no 0.504 0 1
1 91 PHE QB 77 no 100.0 0.0 0.000 0.000 0.000 11 2 no 0.000 0 0
1 92 ARG QB 73 no 33.3 99.2 0.190 0.192 0.001 11 0 no 0.089 0 0
1 93 ASP QB 107 no 100.0 0.0 0.000 0.000 0.000 8 1 no 0.000 0 0
1 94 GLY QA 140 no 100.0 0.0 0.000 0.000 0.000 5 1 no 0.000 0 0
1 95 VAL QG 14 no 100.0 97.6 15.633 16.024 0.391 27 8 yes 1.487 1 5
1 96 ASN QB 102 no 81.0 16.9 0.003 0.020 0.016 9 4 no 0.364 0 0
1 96 ASN QD 132 no 47.6 100.0 0.014 0.014 0.000 6 5 no 0.000 0 0
1 97 TRP QB 38 no 100.0 0.0 0.000 0.000 0.000 16 3 no 0.000 0 0
1 98 GLY QA 178 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 99 ARG QB 47 yes 95.2 94.6 0.555 0.586 0.031 15 7 no 0.596 0 2
1 99 ARG QG 44 no 100.0 94.7 0.019 0.020 0.001 15 6 no 0.494 0 0
1 100 ILE QG 46 yes 95.2 73.2 1.301 1.778 0.477 15 7 yes 1.412 3 4
1 101 VAL QG 5 no 100.0 97.5 13.015 13.344 0.328 36 7 no 0.487 0 0
1 103 PHE QB 37 no 100.0 99.8 1.901 1.904 0.003 16 3 no 0.245 0 0
1 104 PHE QB 58 no 100.0 0.0 0.000 0.000 0.000 13 0 no 0.000 0 0
1 105 SER QB 177 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 106 PHE QB 104 yes 100.0 100.0 0.163 0.163 0.000 8 0 no 0.000 0 0
1 107 GLY QA 94 no 100.0 0.0 0.000 0.000 0.000 9 0 no 0.000 0 0
1 108 GLY QA 124 no 100.0 0.0 0.000 0.000 0.000 7 2 no 0.000 0 0
1 110 LEU QB 36 yes 100.0 100.0 1.514 1.514 0.000 16 3 no 0.000 0 0
1 110 LEU QD 17 no 100.0 85.1 4.082 4.795 0.713 25 7 no 0.711 0 6
1 111 CYS QB 23 no 71.4 64.3 1.337 2.080 0.742 21 12 yes 0.838 0 41
1 112 VAL QG 19 no 100.0 74.5 12.497 16.764 4.267 24 10 yes 2.745 3 3
1 113 GLU QG 90 yes 100.0 96.6 0.980 1.015 0.035 10 3 no 0.487 0 0
1 115 VAL QG 13 no 100.0 91.2 7.759 8.504 0.744 27 6 yes 0.875 0 19
1 116 ASP QB 59 no 28.6 99.8 0.105 0.105 0.000 13 2 no 0.058 0 0
1 117 LYS QD 176 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 117 LYS QG 35 no 81.0 47.8 0.027 0.056 0.029 16 2 no 0.392 0 0
1 118 GLU QB 167 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 118 GLU QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 MET QB 139 no 100.0 34.6 0.019 0.054 0.035 5 1 no 0.288 0 0
1 119 MET QG 115 no 100.0 100.0 0.036 0.036 0.000 8 3 no 0.000 0 0
1 120 GLN QE 67 no 76.2 100.0 0.050 0.050 0.000 12 4 no 0.000 0 0
1 120 GLN QG 24 yes 100.0 100.0 0.237 0.237 0.000 20 8 no 0.000 0 0
1 121 VAL QG 122 no 90.5 90.9 6.977 7.680 0.702 7 1 yes 1.666 6 8
1 122 LEU QB 54 no 100.0 99.3 3.841 3.866 0.026 14 5 no 0.341 0 0
1 122 LEU QD 7 no 100.0 94.7 17.957 18.971 1.015 32 17 yes 2.006 6 17
1 123 VAL QG 9 no 100.0 99.4 26.797 26.972 0.175 30 9 no 0.503 0 1
1 124 SER QB 162 no 95.2 77.1 0.000 0.000 0.000 2 0 no 0.037 0 0
1 125 ARG QB 11 yes 90.5 71.5 0.311 0.435 0.124 29 12 no 0.688 0 5
1 125 ARG QD 29 no 90.5 95.2 0.409 0.429 0.021 18 10 no 0.598 0 1
1 125 ARG QG 41 no 76.2 91.2 0.087 0.095 0.008 16 8 no 0.602 0 1
1 126 ILE QG 21 yes 100.0 100.0 0.940 0.940 0.000 21 5 no 0.052 0 0
1 129 TRP QB 96 no 100.0 0.0 0.000 0.000 0.000 9 1 no 0.000 0 0
1 130 MET QB 111 yes 100.0 100.0 0.740 0.740 0.000 8 2 no 0.000 0 0
1 130 MET QG 88 no 76.2 71.2 0.108 0.152 0.044 10 1 no 0.432 0 0
1 133 TYR QB 121 no 100.0 100.0 0.026 0.026 0.000 7 0 no 0.000 0 0
1 134 LEU QB 20 yes 100.0 100.0 1.987 1.987 0.000 21 5 no 0.000 0 0
1 134 LEU QD 57 no 100.0 98.5 8.484 8.614 0.129 14 8 no 0.298 0 0
1 135 ASN QB 60 no 14.3 72.9 0.081 0.111 0.030 13 4 no 0.286 0 0
1 135 ASN QD 79 no 100.0 97.2 0.501 0.516 0.014 11 4 no 0.166 0 0
1 136 ASP QB 100 no 66.7 9.6 0.006 0.067 0.060 9 2 no 0.671 0 2
1 137 HIS QB 56 no 100.0 100.0 0.008 0.008 0.000 14 6 no 0.310 0 0
1 138 LEU QB 83 yes 100.0 100.0 0.216 0.216 0.000 11 6 no 0.000 0 0
1 138 LEU QD 4 no 100.0 91.9 27.472 29.893 2.420 39 13 yes 1.669 2 3
1 139 GLU QB 154 no 100.0 100.0 0.642 0.642 0.000 4 4 no 0.000 0 0
1 139 GLU QG 175 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 140 PRO QB 131 no 100.0 100.0 0.038 0.038 0.000 6 2 no 0.296 0 0
1 140 PRO QD 30 yes 100.0 100.0 0.331 0.331 0.000 18 11 no 0.000 0 0
1 140 PRO QG 119 no 100.0 0.0 0.000 0.000 0.000 8 5 no 0.000 0 0
1 141 TRP QB 82 yes 95.2 68.9 0.115 0.167 0.052 11 5 no 0.152 0 0
1 142 ILE QG 49 yes 100.0 98.1 0.456 0.465 0.009 14 0 no 0.434 0 0
1 143 GLN QB 65 no 100.0 100.0 0.056 0.056 0.000 12 3 no 0.338 0 0
1 143 GLN QE 116 no 81.0 53.2 0.097 0.182 0.085 8 4 no 0.856 0 1
1 144 GLU QB 55 yes 90.5 89.0 0.147 0.165 0.018 14 6 no 0.437 0 0
1 144 GLU QG 78 no 100.0 100.0 0.000 0.000 0.000 11 4 no 0.042 0 0
1 145 ASN QB 53 yes 100.0 82.4 0.855 1.038 0.182 14 5 yes 1.522 2 2
1 145 ASN QD 22 no 100.0 87.7 0.422 0.481 0.059 21 7 no 0.000 0 0
1 146 GLY QA 157 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 147 GLY QA 110 yes 100.0 100.0 0.851 0.851 0.000 8 2 no 0.000 0 0
1 148 TRP QB 28 yes 100.0 100.0 0.206 0.206 0.000 18 7 no 0.000 0 0
1 151 PHE QB 76 no 100.0 100.0 0.001 0.001 0.000 11 2 no 0.000 0 0
1 152 VAL QG 10 no 100.0 99.5 10.787 10.845 0.059 29 5 no 0.570 0 1
1 153 GLU QG 156 yes 100.0 93.0 0.203 0.218 0.015 3 0 no 0.365 0 0
1 154 LEU QB 99 no 100.0 100.0 0.000 0.000 0.000 9 2 no 0.066 0 0
1 154 LEU QD 120 yes 100.0 100.0 4.933 4.933 0.001 7 0 no 0.112 0 0
1 155 TYR QB 63 no 100.0 0.0 0.000 0.000 0.000 12 1 no 0.000 0 0
1 156 GLY QA 133 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 158 ASN QD 174 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 162 GLU QG 173 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 167 GLN QB 130 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 167 GLN QE 171 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 169 ARG QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 170 LEU QD 172 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
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