NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
544895 |
2lha   |
17838 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lha
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 185
_Stereo_assign_list.Swap_count 54
_Stereo_assign_list.Swap_percentage 29.2
_Stereo_assign_list.Deassign_count 89
_Stereo_assign_list.Deassign_percentage 48.1
_Stereo_assign_list.Model_count 10
_Stereo_assign_list.Total_e_low_states 713.611
_Stereo_assign_list.Total_e_high_states 1192.180
_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 GLU QB 100 yes 100.0 55.5 1.334 2.404 1.070 3 1 yes 1.850 4 6
1 1 GLU QG 148 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 2 LYS QB 147 no 70.0 4.4 0.927 21.284 20.358 2 1 yes 4.213 20 20
1 2 LYS QE 130 no 60.0 0.5 0.586 109.434 108.848 2 0 yes 11.988 17 20
1 2 LYS QG 176 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 3 LEU QB 175 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 4 GLY QA 5 no 100.0 61.6 6.897 11.195 4.298 11 4 yes 2.379 13 22
1 5 ASP QB 22 yes 100.0 78.0 1.668 2.137 0.469 7 2 no 0.466 0 0
1 6 ILE QG 174 yes 100.0 100.0 1.821 1.821 0.000 1 0 no 0.000 0 0
1 7 CYS QB 56 no 50.0 87.6 0.226 0.258 0.032 4 0 no 0.319 0 0
1 8 PHE QB 55 yes 100.0 94.6 3.207 3.390 0.182 4 0 no 0.697 0 2
1 9 SER QB 26 yes 100.0 76.6 3.598 4.694 1.096 6 2 yes 1.066 1 7
1 10 LEU QB 36 no 80.0 25.7 0.105 0.409 0.304 5 1 yes 0.811 0 6
1 11 ARG QB 107 yes 80.0 12.7 0.230 1.816 1.586 3 2 yes 1.626 3 10
1 11 ARG QD 173 no 90.0 38.1 3.506 9.215 5.709 1 0 yes 3.937 10 10
1 11 ARG QG 146 no 100.0 72.3 1.605 2.219 0.614 2 1 yes 1.730 2 6
1 12 TYR QB 86 no 100.0 100.0 0.367 0.367 0.000 3 0 no 0.000 0 0
1 14 PRO QB 85 yes 100.0 71.3 2.536 3.558 1.022 3 0 yes 1.656 3 9
1 14 PRO QD 145 no 100.0 35.8 0.504 1.410 0.906 2 1 no 0.495 0 0
1 18 LYS QB 144 yes 100.0 97.7 0.918 0.939 0.022 2 1 no 0.276 0 0
1 18 LYS QE 172 no 100.0 100.0 0.002 0.002 0.000 1 0 no 0.120 0 0
1 18 LYS QG 15 no 100.0 74.6 2.658 3.564 0.906 8 2 yes 1.153 1 10
1 23 ILE QG 62 yes 100.0 67.3 5.287 7.852 2.565 4 1 yes 1.398 6 16
1 25 GLU QB 99 yes 100.0 62.7 3.785 6.040 2.254 3 1 yes 1.962 9 10
1 25 GLU QG 185 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 27 LYS QB 7 no 100.0 82.4 9.475 11.497 2.022 10 5 yes 1.508 9 17
1 27 LYS QD 8 yes 90.0 13.8 2.186 15.888 13.702 10 10 yes 4.036 20 22
1 27 LYS QE 29 yes 100.0 47.4 7.918 16.698 8.779 6 3 yes 3.234 19 25
1 27 LYS QG 24 no 100.0 50.3 0.096 0.191 0.095 7 7 no 0.347 0 0
1 28 ASN QB 6 no 70.0 6.5 3.315 50.660 47.345 11 5 yes 7.933 24 32
1 28 ASN QD 54 no 90.0 91.2 0.980 1.075 0.095 4 0 no 0.734 0 2
1 29 LEU QB 143 no 100.0 100.0 0.243 0.243 0.000 2 1 no 0.000 0 0
1 30 LYS QD 63 no 60.0 16.9 0.964 5.689 4.725 4 2 yes 3.359 12 20
1 30 LYS QG 184 no 90.0 50.5 3.738 7.403 3.665 1 1 yes 2.182 5 6
1 31 LYS QB 98 no 90.0 93.1 0.327 0.351 0.024 3 1 no 0.243 0 0
1 31 LYS QD 97 no 100.0 62.7 10.308 16.432 6.124 3 1 yes 3.370 11 13
1 31 LYS QE 151 no 50.0 25.1 3.429 13.677 10.248 2 2 yes 3.331 13 14
1 31 LYS QG 106 no 60.0 35.0 1.528 4.370 2.842 3 2 yes 3.097 5 9
1 32 MET QB 84 yes 100.0 33.4 35.609 106.605 70.996 3 0 yes 6.586 30 30
1 32 MET QG 53 no 40.0 13.0 1.845 14.143 12.298 4 0 yes 4.278 17 19
1 33 ASP QB 83 no 100.0 100.0 0.031 0.031 0.000 3 0 no 0.396 0 0
1 35 GLY QA 171 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 36 GLY QA 96 no 90.0 29.8 0.007 0.024 0.017 3 1 no 0.361 0 0
1 37 LEU QB 129 no 80.0 100.0 0.022 0.022 0.000 2 0 no 0.000 0 0
1 38 SER QB 52 no 100.0 96.9 0.919 0.948 0.029 4 0 no 0.520 0 1
1 39 ASP QB 82 no 100.0 88.7 1.560 1.758 0.198 3 0 no 0.634 0 3
1 40 PRO QB 13 no 100.0 75.6 8.279 10.947 2.668 8 1 yes 1.718 10 21
1 40 PRO QG 170 yes 90.0 95.4 0.615 0.645 0.030 1 0 no 0.545 0 1
1 41 TYR QB 81 yes 100.0 95.2 1.753 1.840 0.088 3 0 no 0.639 0 1
1 43 LYS QB 169 no 80.0 100.0 0.044 0.044 0.000 1 0 no 0.000 0 0
1 43 LYS QE 142 no 100.0 75.6 0.564 0.745 0.182 2 1 yes 1.216 1 2
1 43 LYS QG 141 yes 80.0 69.5 0.576 0.829 0.253 2 1 no 0.892 0 3
1 44 ILE QG 95 no 90.0 95.4 2.108 2.210 0.102 3 1 no 0.390 0 0
1 45 HIS QB 18 yes 100.0 91.4 7.259 7.941 0.682 7 0 yes 1.040 1 9
1 46 LEU QB 4 yes 100.0 63.1 6.579 10.433 3.854 11 3 yes 1.690 14 24
1 47 MET QB 94 no 100.0 100.0 0.026 0.026 0.000 3 1 no 0.478 0 0
1 47 MET QG 93 no 50.0 52.9 0.503 0.951 0.448 3 1 yes 1.588 4 5
1 48 GLN QB 128 no 100.0 57.6 3.218 5.587 2.369 2 0 yes 2.471 5 14
1 48 GLN QE 127 yes 100.0 81.2 3.932 4.844 0.911 2 0 yes 1.809 3 6
1 49 ASN QB 35 yes 100.0 76.0 1.862 2.450 0.587 5 1 yes 1.177 1 9
1 50 GLY QA 10 no 90.0 0.8 0.006 0.699 0.694 9 2 no 0.966 0 8
1 51 LYS QB 126 no 90.0 87.3 1.449 1.660 0.210 2 0 yes 1.218 1 2
1 51 LYS QD 183 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 51 LYS QE 105 no 70.0 99.1 0.514 0.518 0.004 3 2 no 0.167 0 0
1 51 LYS QG 168 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 52 ARG QD 167 yes 80.0 65.1 0.186 0.287 0.100 1 0 no 0.696 0 1
1 53 LEU QB 21 yes 90.0 67.7 4.224 6.240 2.016 7 2 yes 1.653 3 7
1 54 LYS QB 11 no 100.0 59.3 5.165 8.703 3.539 9 5 yes 3.305 9 10
1 54 LYS QD 44 no 100.0 0.0 0.000 0.000 0.000 5 4 no 0.000 0 0
1 54 LYS QE 42 yes 90.0 20.8 7.556 36.394 28.838 5 2 yes 6.910 11 15
1 54 LYS QG 92 no 40.0 39.0 0.208 0.535 0.326 3 1 yes 1.748 1 1
1 55 LYS QB 125 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 55 LYS QG 91 yes 80.0 24.9 6.356 25.522 19.166 3 1 yes 4.767 20 23
1 56 LYS QD 140 no 60.0 61.3 0.977 1.594 0.617 2 1 yes 1.446 1 3
1 57 LYS QB 124 no 90.0 100.0 0.210 0.210 0.000 2 0 no 0.000 0 0
1 57 LYS QG 166 yes 100.0 100.0 0.226 0.226 0.000 1 0 no 0.000 0 0
1 60 ILE QG 80 no 90.0 90.7 0.013 0.014 0.001 3 0 no 0.381 0 0
1 61 LYS QE 123 no 90.0 58.2 3.431 5.898 2.466 2 0 yes 2.660 9 10
1 61 LYS QG 122 yes 100.0 26.9 4.978 18.490 13.511 2 0 yes 4.449 10 13
1 62 LYS QB 79 yes 100.0 99.9 0.809 0.810 0.001 3 0 no 0.054 0 0
1 62 LYS QE 165 no 100.0 100.0 0.006 0.006 0.000 1 0 no 0.159 0 0
1 62 LYS QG 164 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 63 ASN QB 32 no 10.0 33.4 0.000 0.000 0.000 5 0 no 0.045 0 0
1 65 LEU QB 163 no 100.0 100.0 0.128 0.128 0.000 1 0 no 0.000 0 0
1 66 ASN QB 34 yes 90.0 60.7 7.498 12.344 4.847 5 1 yes 2.926 6 10
1 66 ASN QD 90 no 70.0 7.7 0.878 11.449 10.571 3 1 yes 3.149 9 11
1 67 PRO QB 51 no 100.0 97.4 6.450 6.619 0.170 4 0 no 0.662 0 2
1 67 PRO QG 89 no 100.0 74.6 5.255 7.047 1.792 3 1 yes 1.305 2 10
1 68 TYR QB 78 no 90.0 99.2 0.239 0.241 0.002 3 0 no 0.140 0 0
1 69 TYR QB 77 no 90.0 41.2 2.808 6.811 4.004 3 0 yes 1.973 17 20
1 70 ASN QB 76 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 71 GLU QB 12 no 100.0 54.5 16.350 30.000 13.650 8 1 yes 2.344 29 33
1 71 GLU QG 121 no 40.0 29.7 0.069 0.232 0.163 2 0 yes 1.020 1 2
1 72 SER QB 31 yes 80.0 48.0 0.205 0.428 0.223 5 0 no 0.513 0 1
1 73 PHE QB 75 no 10.0 100.0 0.010 0.010 0.000 3 0 no 0.000 0 0
1 74 SER QB 74 yes 90.0 97.4 0.195 0.200 0.005 3 0 no 0.212 0 0
1 75 PHE QB 50 yes 100.0 100.0 1.305 1.305 0.000 4 0 no 0.039 0 0
1 76 GLU QB 73 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 76 GLU QG 162 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 78 PRO QB 61 no 70.0 50.4 0.056 0.110 0.055 4 1 no 0.504 0 1
1 78 PRO QD 16 no 100.0 48.3 10.352 21.423 11.071 8 3 yes 3.411 19 21
1 78 PRO QG 150 no 100.0 66.3 4.618 6.965 2.347 2 2 yes 1.562 7 8
1 79 PHE QB 49 yes 100.0 100.0 0.246 0.246 0.000 4 0 no 0.000 0 0
1 80 GLU QB 161 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 80 GLU QG 139 yes 80.0 12.3 0.330 2.677 2.347 2 1 yes 2.588 7 9
1 81 GLN QB 138 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 82 ILE QG 120 no 100.0 75.4 3.802 5.042 1.239 2 0 yes 2.365 3 6
1 83 GLN QB 182 no 20.0 100.0 0.048 0.048 0.000 1 1 no 0.000 0 0
1 83 GLN QE 137 yes 100.0 20.9 2.816 13.472 10.656 2 1 yes 3.930 15 18
1 84 LYS QB 119 no 70.0 78.2 0.080 0.102 0.022 2 0 no 0.497 0 0
1 84 LYS QD 160 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 84 LYS QE 159 no 100.0 100.0 0.002 0.002 0.000 1 0 no 0.148 0 0
1 84 LYS QG 72 no 80.0 23.5 0.073 0.313 0.239 3 0 yes 1.109 1 2
1 86 GLN QG 136 no 80.0 69.6 3.331 4.783 1.452 2 1 yes 1.332 2 5
1 92 LEU QB 30 no 70.0 9.6 0.837 8.742 7.904 5 0 yes 3.225 20 20
1 94 TYR QB 118 no 100.0 98.6 2.154 2.184 0.030 2 0 no 0.330 0 0
1 95 ASP QB 135 no 100.0 100.0 0.024 0.024 0.000 2 1 no 0.488 0 0
1 97 ILE QG 71 yes 100.0 100.0 1.398 1.399 0.000 3 0 no 0.062 0 0
1 98 GLY QA 70 yes 100.0 94.0 0.975 1.037 0.062 3 0 no 0.467 0 0
1 99 LYS QB 104 no 90.0 25.1 0.035 0.138 0.103 3 2 no 0.510 0 2
1 99 LYS QD 103 yes 100.0 82.2 2.952 3.590 0.638 3 2 yes 1.685 1 7
1 99 LYS QE 181 no 30.0 19.4 0.055 0.282 0.227 1 1 no 0.120 0 0
1 99 LYS QG 180 no 100.0 100.0 0.890 0.890 0.000 1 1 no 0.000 0 0
1 100 ASN QB 41 no 20.0 48.1 0.022 0.046 0.024 5 2 no 0.488 0 0
1 100 ASN QD 158 no 100.0 100.0 0.041 0.041 0.000 1 0 no 0.000 0 0
1 101 ASP QB 60 no 10.0 38.8 0.109 0.282 0.172 4 1 yes 1.678 1 1
1 103 ILE QG 69 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 104 GLY QA 28 yes 100.0 90.8 0.356 0.392 0.036 6 3 no 0.339 0 0
1 105 LYS QB 2 no 100.0 78.1 4.513 5.782 1.269 13 7 yes 1.547 4 12
1 105 LYS QD 149 no 60.0 27.0 0.284 1.051 0.768 2 2 yes 1.116 1 7
1 105 LYS QE 102 yes 100.0 92.4 0.150 0.163 0.012 3 2 no 0.263 0 0
1 105 LYS QG 20 no 90.0 57.7 0.077 0.134 0.057 7 2 no 0.680 0 3
1 107 PHE QB 40 yes 100.0 53.9 3.216 5.970 2.754 5 2 yes 2.536 7 12
1 110 TYR QB 43 no 80.0 33.3 5.893 17.693 11.800 5 3 yes 4.426 20 23
1 111 ASN QB 157 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 112 SER QB 179 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 114 GLY QA 39 no 100.0 49.5 10.361 20.943 10.582 5 2 yes 3.308 19 20
1 116 GLU QB 19 no 100.0 100.0 0.345 0.345 0.000 7 2 no 0.000 0 0
1 116 GLU QG 33 yes 100.0 56.7 1.673 2.953 1.280 5 1 yes 1.344 8 10
1 117 LEU QB 48 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 ARG QB 47 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 118 ARG QD 59 no 100.0 46.2 3.940 8.530 4.591 4 1 yes 2.586 6 12
1 118 ARG QG 64 no 90.0 56.8 7.803 13.731 5.928 4 3 yes 2.294 12 19
1 119 HIS QB 156 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 120 TRP QB 117 no 30.0 100.0 0.002 0.002 0.000 2 0 no 0.000 0 0
1 121 SER QB 27 no 70.0 50.6 11.773 23.272 11.499 6 3 yes 4.080 21 27
1 122 ASP QB 58 yes 100.0 87.2 1.401 1.606 0.205 4 1 no 0.845 0 2
1 123 MET QB 25 yes 100.0 46.0 2.385 5.185 2.800 6 2 yes 2.549 9 10
1 124 LEU QB 57 no 100.0 73.5 6.382 8.684 2.301 4 1 yes 1.796 7 19
1 126 ASN QB 46 yes 90.0 45.6 5.259 11.538 6.280 4 0 yes 2.841 10 17
1 126 ASN QD 116 no 100.0 45.0 15.463 34.358 18.896 2 0 yes 4.941 16 18
1 127 PRO QD 178 no 100.0 94.1 1.263 1.342 0.079 1 1 no 0.225 0 0
1 127 PRO QG 155 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 128 ARG QB 115 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 128 ARG QD 114 yes 100.0 65.8 6.206 9.433 3.227 2 0 yes 2.906 8 10
1 128 ARG QG 113 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 129 ARG QB 38 no 100.0 69.6 16.047 23.058 7.011 5 2 yes 2.927 10 10
1 129 ARG QG 134 no 70.0 12.4 1.544 12.485 10.940 2 1 yes 4.046 13 17
1 131 ILE QG 68 no 70.0 6.6 0.403 6.109 5.706 3 0 yes 2.798 10 10
1 133 GLN QB 3 yes 100.0 60.1 15.455 25.720 10.266 11 1 yes 1.868 29 35
1 133 GLN QE 154 yes 100.0 76.6 2.499 3.263 0.764 1 0 yes 2.505 1 2
1 133 GLN QG 67 no 100.0 100.0 0.066 0.066 0.000 3 0 no 0.569 0 1
1 134 TRP QB 112 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 135 HIS QB 133 yes 100.0 89.8 4.925 5.485 0.560 2 1 no 0.519 0 1
1 137 LEU QB 1 no 100.0 63.7 14.449 22.701 8.252 18 5 yes 1.538 11 39
1 138 GLN QB 153 no 40.0 100.0 0.008 0.008 0.000 1 0 no 0.000 0 0
1 138 GLN QE 177 no 70.0 6.2 2.511 40.706 38.195 1 1 yes 6.147 10 10
1 140 GLU QB 37 no 80.0 39.0 1.228 3.146 1.918 5 2 yes 1.727 6 16
1 140 GLU QG 132 no 90.0 97.0 0.044 0.046 0.001 2 1 no 0.302 0 0
1 141 GLU QB 111 no 100.0 100.0 0.060 0.060 0.000 2 0 no 0.000 0 0
1 141 GLU QG 110 yes 100.0 85.7 4.401 5.137 0.737 2 0 yes 1.711 3 7
1 142 GLU QB 9 no 50.0 4.8 0.081 1.701 1.620 9 2 yes 1.185 1 10
1 142 GLU QG 152 yes 100.0 68.8 5.519 8.018 2.499 1 0 yes 2.243 9 10
1 144 ASP QB 66 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 146 MET QB 65 no 100.0 98.9 0.133 0.135 0.002 3 0 no 0.123 0 0
1 146 MET QG 14 yes 100.0 64.4 28.841 44.797 15.956 8 2 yes 3.738 27 33
1 147 LEU QB 109 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 150 LYS QB 131 yes 100.0 99.1 1.418 1.431 0.013 2 1 no 0.365 0 0
1 150 LYS QD 108 no 40.0 6.1 0.120 1.953 1.833 2 0 yes 2.019 7 9
1 150 LYS QE 88 no 40.0 1.5 0.022 1.535 1.513 3 1 yes 1.650 6 12
1 150 LYS QG 17 no 60.0 10.4 1.640 15.771 14.131 8 5 yes 3.411 19 26
1 151 LYS QB 23 no 70.0 5.9 0.092 1.555 1.462 7 6 yes 1.199 5 15
1 151 LYS QD 45 yes 100.0 30.5 0.212 0.694 0.482 5 5 no 0.288 0 0
1 151 LYS QE 101 yes 100.0 61.6 11.080 17.981 6.900 3 2 yes 2.388 12 20
1 151 LYS QG 87 no 60.0 8.3 0.487 5.850 5.363 3 1 yes 2.830 10 15
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