NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
510223 |
2l5e   |
17270 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2l5e
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 181
_Stereo_assign_list.Swap_count 29
_Stereo_assign_list.Swap_percentage 16.0
_Stereo_assign_list.Deassign_count 24
_Stereo_assign_list.Deassign_percentage 13.3
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 19.708
_Stereo_assign_list.Total_e_high_states 254.147
_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 177 no 15.0 99.7 0.004 0.004 0.000 1 0 no 0.016 0 0
1 3 LEU QB 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 3 LEU QD 136 no 10.0 89.5 0.007 0.007 0.001 2 0 no 0.124 0 0
1 4 GLY QA 176 no 55.0 12.4 0.044 0.355 0.311 1 0 no 0.873 0 9
1 5 SER QB 112 yes 90.0 86.2 1.292 1.499 0.207 3 0 no 0.973 0 5
1 6 GLU QB 60 no 100.0 63.8 1.486 2.330 0.844 6 1 yes 1.696 8 9
1 6 GLU QG 89 no 80.0 87.7 3.696 4.212 0.516 4 0 yes 1.371 4 8
1 7 VAL QG 94 no 100.0 100.0 5.354 5.354 0.000 4 1 no 0.023 0 0
1 9 ASN QB 24 no 100.0 99.8 0.254 0.254 0.001 9 3 no 0.080 0 0
1 9 ASN QD 27 no 100.0 99.3 2.366 2.383 0.018 9 6 no 0.554 0 1
1 10 PRO QB 93 no 85.0 100.0 0.021 0.021 0.000 4 1 no 0.000 0 0
1 10 PRO QD 181 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 10 PRO QG 175 no 100.0 99.1 2.668 2.692 0.024 1 0 no 0.230 0 0
1 11 SER QB 115 no 85.0 94.6 2.811 2.973 0.162 3 1 no 1.000 0 4
1 12 LYS QB 45 no 85.0 7.0 0.004 0.058 0.054 7 5 no 0.662 0 2
1 12 LYS QD 44 no 55.0 9.1 0.051 0.560 0.509 7 3 no 0.662 0 4
1 12 LYS QE 114 no 65.0 42.5 0.638 1.502 0.864 3 1 yes 1.390 7 14
1 12 LYS QG 174 no 80.0 56.8 0.009 0.016 0.007 1 0 no 0.310 0 0
1 13 PRO QB 111 no 85.0 90.7 1.575 1.737 0.162 3 0 no 0.943 0 5
1 13 PRO QD 92 no 70.0 85.5 0.134 0.157 0.023 4 1 no 0.371 0 0
1 14 GLY QA 88 no 95.0 100.0 1.162 1.162 0.000 4 0 no 0.047 0 0
1 15 ARG QB 110 no 80.0 100.0 0.304 0.304 0.000 3 0 no 0.028 0 0
1 15 ARG QG 135 yes 85.0 76.8 0.206 0.268 0.062 2 0 no 0.788 0 2
1 15 ARG QH2 173 yes 100.0 100.0 0.384 0.384 0.000 1 0 no 0.015 0 0
1 16 LYS QB 98 yes 80.0 53.1 0.608 1.145 0.537 4 3 yes 1.132 2 10
1 18 ASN QB 31 no 55.0 72.5 0.047 0.065 0.018 8 2 no 0.765 0 1
1 18 ASN QD 172 yes 80.0 68.4 0.628 0.918 0.290 1 0 yes 1.442 3 4
1 19 GLN QB 171 no 5.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 19 GLN QE 57 yes 95.0 91.2 0.146 0.160 0.014 6 0 no 0.443 0 0
1 20 LEU QB 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 LEU QD 5 yes 95.0 95.9 17.823 18.581 0.758 17 0 yes 2.045 4 7
1 21 GLN QB 96 no 100.0 100.0 4.046 4.046 0.000 4 2 no 0.063 0 0
1 21 GLN QG 144 no 100.0 99.9 1.598 1.599 0.001 2 2 no 0.074 0 0
1 22 TYR QB 43 yes 100.0 99.3 0.177 0.178 0.001 7 1 no 0.075 0 0
1 23 MET QB 142 no 100.0 0.0 0.000 0.000 0.000 2 1 no 0.000 0 0
1 23 MET QG 170 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 24 GLN QB 141 yes 80.0 57.9 0.258 0.445 0.187 2 1 yes 1.094 3 4
1 24 GLN QE 12 no 100.0 97.7 1.208 1.236 0.028 11 4 no 0.544 0 1
1 24 GLN QG 116 no 80.0 85.8 0.467 0.545 0.078 3 2 no 0.925 0 2
1 25 ASN QB 95 no 100.0 99.9 1.507 1.508 0.001 4 2 no 0.055 0 0
1 25 ASN QD 26 no 100.0 90.5 0.222 0.245 0.023 9 4 no 0.681 0 1
1 26 VAL QG 3 no 100.0 99.2 18.242 18.396 0.154 20 4 no 0.190 0 0
1 27 VAL QG 8 yes 100.0 100.0 11.069 11.070 0.001 13 1 no 0.123 0 0
1 28 VAL QG 7 no 95.0 94.7 7.136 7.537 0.401 14 0 yes 1.512 4 6
1 29 LYS QB 91 no 65.0 5.9 0.002 0.033 0.031 4 1 no 0.334 0 0
1 29 LYS QG 134 no 75.0 81.8 1.304 1.594 0.290 2 0 yes 1.206 3 6
1 31 LEU QB 86 no 100.0 86.6 0.006 0.007 0.001 4 0 no 0.183 0 0
1 31 LEU QD 56 no 100.0 100.0 11.601 11.604 0.003 6 0 no 0.087 0 0
1 32 TRP QB 14 no 100.0 100.0 0.847 0.847 0.000 10 0 no 0.033 0 0
1 33 LYS QB 133 no 100.0 100.0 1.919 1.919 0.000 2 0 no 0.000 0 0
1 33 LYS QD 180 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 33 LYS QE 179 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 33 LYS QG 22 no 50.0 15.8 0.175 1.108 0.933 9 2 yes 1.723 11 17
1 34 HIS QB 109 no 100.0 100.0 1.255 1.255 0.000 3 0 no 0.000 0 0
1 35 GLN QB 178 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 35 GLN QE 74 no 100.0 100.0 0.803 0.803 0.000 5 3 no 0.040 0 0
1 36 PHE QB 85 no 5.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 TRP QB 21 yes 100.0 99.9 1.504 1.506 0.001 9 2 no 0.059 0 0
1 39 PRO QG 169 no 100.0 100.0 1.833 1.833 0.000 1 0 no 0.023 0 0
1 40 PHE QB 55 yes 75.0 88.1 0.355 0.403 0.048 6 0 no 0.733 0 1
1 41 TYR QB 132 no 65.0 90.4 0.098 0.108 0.010 2 0 no 0.337 0 0
1 42 GLN QB 131 no 100.0 99.9 0.099 0.099 0.000 2 0 no 0.021 0 0
1 42 GLN QE 168 yes 100.0 100.0 0.758 0.758 0.000 1 0 no 0.039 0 0
1 42 GLN QG 130 no 95.0 99.6 1.503 1.509 0.006 2 0 no 0.333 0 0
1 43 PRO QB 67 no 100.0 99.8 0.292 0.292 0.001 5 0 no 0.071 0 0
1 43 PRO QD 108 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 43 PRO QG 167 no 30.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 44 VAL QG 2 yes 100.0 67.2 6.101 9.078 2.977 20 4 yes 2.038 15 16
1 45 ASP QB 16 no 95.0 85.0 1.038 1.221 0.183 10 1 yes 1.567 1 3
1 47 ILE QG 84 yes 75.0 79.9 0.255 0.319 0.064 4 0 no 0.686 0 2
1 48 LYS QB 42 no 80.0 31.0 0.171 0.551 0.380 7 1 yes 1.201 3 5
1 49 LEU QD 129 no 55.0 81.1 0.169 0.208 0.039 2 0 no 0.630 0 2
1 50 ASN QB 20 no 100.0 98.3 0.584 0.595 0.010 9 2 no 0.206 0 0
1 50 ASN QD 143 no 100.0 100.0 0.612 0.612 0.000 2 2 no 0.061 0 0
1 51 LEU QB 72 no 100.0 96.5 0.454 0.470 0.016 5 2 no 0.000 0 0
1 51 LEU QD 10 no 45.0 5.2 0.113 2.191 2.078 12 1 yes 1.485 6 30
1 52 PRO QB 166 no 80.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 52 PRO QD 128 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 52 PRO QG 165 no 100.0 100.0 2.063 2.063 0.000 1 0 no 0.019 0 0
1 53 ASP QB 70 no 50.0 35.9 0.006 0.016 0.010 5 1 no 0.312 0 0
1 54 TYR QB 41 yes 100.0 100.0 0.110 0.110 0.000 7 1 no 0.000 0 0
1 55 HIS QB 66 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 56 LYS QB 113 no 100.0 99.7 2.150 2.156 0.006 3 1 no 0.312 0 0
1 56 LYS QG 83 no 60.0 24.1 0.053 0.219 0.167 4 0 no 0.966 0 6
1 58 ILE QG 82 no 100.0 99.9 2.828 2.830 0.002 4 0 no 0.079 0 0
1 59 LYS QB 62 no 85.0 87.4 0.213 0.244 0.031 6 3 no 0.659 0 1
1 59 LYS QG 164 no 70.0 46.3 0.019 0.041 0.022 1 0 no 0.665 0 1
1 60 ASN QB 107 no 100.0 78.6 0.000 0.000 0.000 3 0 no 0.065 0 0
1 60 ASN QD 61 no 35.0 16.1 0.012 0.073 0.061 6 3 no 0.659 0 1
1 61 PRO QB 36 no 100.0 100.0 0.648 0.648 0.000 7 0 no 0.040 0 0
1 61 PRO QD 163 no 90.0 96.5 0.009 0.010 0.000 1 0 no 0.266 0 0
1 62 MET QB 106 no 90.0 98.4 0.835 0.848 0.013 3 0 no 0.475 0 0
1 62 MET QG 140 yes 80.0 76.6 1.273 1.663 0.389 2 1 no 0.740 0 3
1 63 ASP QB 40 no 85.0 92.9 1.039 1.119 0.080 7 1 no 0.851 0 1
1 64 MET QB 69 no 100.0 100.0 0.007 0.007 0.000 5 1 no 0.330 0 0
1 64 MET QG 139 yes 100.0 100.0 0.100 0.100 0.000 2 1 no 0.006 0 0
1 65 GLY QA 13 no 10.0 100.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 68 LYS QB 105 no 95.0 100.0 0.046 0.046 0.000 3 0 no 0.000 0 0
1 68 LYS QG 162 no 100.0 100.0 0.033 0.033 0.000 1 0 no 0.673 0 1
1 69 LYS QG 104 no 45.0 22.6 0.032 0.140 0.108 3 0 no 0.768 0 6
1 70 ARG QB 127 no 100.0 99.7 0.417 0.418 0.001 2 0 no 0.102 0 0
1 70 ARG QG 161 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 71 LEU QB 29 no 100.0 100.0 2.052 2.052 0.000 8 1 no 0.049 0 0
1 71 LEU QD 126 no 100.0 100.0 1.870 1.870 0.000 2 0 no 0.008 0 0
1 72 GLU QB 160 no 95.0 99.6 0.000 0.000 0.000 1 0 no 0.036 0 0
1 72 GLU QG 159 no 10.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 73 ASN QB 19 yes 100.0 100.0 0.812 0.812 0.000 9 2 no 0.053 0 0
1 73 ASN QD 23 no 100.0 99.8 0.383 0.384 0.001 9 3 no 0.063 0 0
1 74 ASN QB 25 no 90.0 82.3 0.307 0.373 0.066 9 4 no 0.594 0 1
1 74 ASN QD 32 no 95.0 63.3 1.297 2.049 0.752 8 6 yes 1.278 2 5
1 75 TYR QB 39 no 85.0 50.7 0.476 0.938 0.462 7 1 yes 1.510 4 7
1 76 TYR QB 103 no 55.0 96.7 0.139 0.144 0.005 3 0 no 0.291 0 0
1 77 TRP QB 81 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 78 SER QB 15 yes 80.0 80.6 1.260 1.564 0.303 10 1 yes 1.390 3 6
1 81 GLU QB 38 no 100.0 92.9 3.210 3.454 0.244 7 1 no 0.165 0 0
1 82 CYS QB 35 yes 100.0 99.9 1.175 1.176 0.001 7 0 no 0.113 0 0
1 83 MET QB 125 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 MET QG 158 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 84 GLN QB 124 no 55.0 29.1 0.171 0.587 0.416 2 0 yes 1.122 3 10
1 84 GLN QE 157 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 85 ASP QB 68 yes 75.0 41.7 0.701 1.682 0.981 5 1 yes 1.456 4 10
1 86 PHE QB 59 no 100.0 100.0 0.026 0.026 0.000 6 1 yes 1.316 5 13
1 87 ASN QB 90 no 100.0 100.0 1.623 1.623 0.000 4 1 no 0.048 0 0
1 87 ASN QD 17 no 100.0 99.7 1.025 1.028 0.003 9 1 no 0.111 0 0
1 89 MET QB 156 no 100.0 100.0 0.001 0.001 0.000 1 0 no 0.113 0 0
1 90 PHE QB 123 no 100.0 100.0 1.261 1.261 0.000 2 0 no 0.000 0 0
1 92 ASN QB 34 no 50.0 99.7 0.700 0.702 0.002 7 0 no 0.197 0 0
1 92 ASN QD 102 no 70.0 100.0 0.149 0.149 0.000 3 0 no 0.000 0 0
1 93 CYS QB 54 no 85.0 96.0 0.228 0.237 0.009 6 0 no 0.425 0 0
1 94 TYR QB 53 no 100.0 100.0 0.000 0.000 0.000 6 0 no 0.013 0 0
1 95 ILE QG 122 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 TYR QB 121 no 100.0 99.7 1.040 1.043 0.003 2 0 no 0.103 0 0
1 97 ASN QB 120 no 100.0 100.0 0.076 0.076 0.000 2 0 no 0.000 0 0
1 97 ASN QD 155 no 25.0 96.4 0.059 0.061 0.002 1 0 no 0.158 0 0
1 98 LYS QB 154 no 85.0 89.6 0.156 0.174 0.018 1 0 no 0.449 0 0
1 99 PRO QB 80 no 65.0 47.8 0.012 0.025 0.013 4 0 no 0.179 0 0
1 99 PRO QD 153 no 100.0 100.0 0.227 0.227 0.000 1 0 no 0.000 0 0
1 99 PRO QG 152 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 101 ASP QB 52 no 90.0 70.6 0.008 0.012 0.003 6 0 no 0.299 0 0
1 102 ASP QB 65 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.090 0 0
1 103 ILE QG 51 no 100.0 99.0 0.377 0.381 0.004 6 0 no 0.145 0 0
1 104 VAL QG 4 yes 100.0 99.6 8.776 8.814 0.038 17 0 no 0.224 0 0
1 105 LEU QB 50 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 105 LEU QD 58 no 100.0 99.8 10.189 10.205 0.016 6 1 no 0.445 0 0
1 106 MET QB 79 yes 90.0 93.7 1.168 1.246 0.078 4 0 no 0.943 0 2
1 106 MET QG 151 no 100.0 100.0 0.003 0.003 0.000 1 0 no 0.240 0 0
1 108 GLN QB 30 no 75.0 92.3 0.231 0.250 0.019 8 2 no 0.487 0 0
1 108 GLN QE 97 no 70.0 97.2 0.507 0.522 0.015 4 3 no 0.445 0 0
1 110 LEU QB 28 no 100.0 99.3 0.541 0.545 0.004 8 0 no 0.100 0 0
1 110 LEU QD 9 no 100.0 100.0 10.304 10.304 0.000 12 0 no 0.055 0 0
1 111 GLU QB 119 no 90.0 85.5 0.003 0.004 0.001 2 0 no 0.204 0 0
1 112 LYS QB 150 yes 95.0 98.2 0.944 0.962 0.017 1 0 no 0.583 0 1
1 112 LYS QG 149 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 113 ILE QG 64 no 80.0 96.6 0.273 0.283 0.010 5 0 no 0.313 0 0
1 114 PHE QB 49 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 115 LEU QB 48 no 100.0 100.0 0.179 0.179 0.000 6 0 no 0.000 0 0
1 115 LEU QD 78 yes 100.0 100.0 0.444 0.444 0.000 4 0 no 0.000 0 0
1 116 GLN QB 11 no 100.0 99.5 3.081 3.097 0.016 11 1 no 0.168 0 0
1 117 LYS QB 77 yes 100.0 99.9 2.009 2.011 0.002 4 0 no 0.115 0 0
1 117 LYS QD 148 no 85.0 86.6 1.928 2.226 0.298 1 0 yes 1.773 2 3
1 117 LYS QE 118 no 40.0 31.4 0.068 0.216 0.148 2 0 yes 1.039 1 3
1 118 VAL QG 1 no 100.0 99.9 6.058 6.067 0.008 24 1 no 0.094 0 0
1 120 GLN QB 63 yes 100.0 100.0 2.260 2.261 0.001 5 0 no 0.103 0 0
1 120 GLN QE 147 no 85.0 99.5 0.264 0.265 0.001 1 0 no 0.153 0 0
1 120 GLN QG 76 no 75.0 62.8 0.097 0.155 0.058 4 0 no 0.521 0 2
1 121 MET QB 33 no 95.0 97.2 0.308 0.317 0.009 7 0 no 0.418 0 0
1 121 MET QG 101 no 80.0 73.4 0.088 0.120 0.032 3 0 no 0.626 0 4
1 122 PRO QB 100 no 100.0 99.9 0.852 0.852 0.001 3 0 no 0.081 0 0
1 122 PRO QG 146 no 100.0 99.4 1.776 1.788 0.011 1 0 no 0.213 0 0
1 123 GLN QB 71 no 55.0 48.0 0.146 0.304 0.158 5 2 no 0.860 0 4
1 123 GLN QE 73 no 100.0 85.7 1.332 1.553 0.222 5 3 no 0.860 0 4
1 123 GLN QG 138 no 55.0 48.8 0.184 0.378 0.194 2 1 no 0.810 0 4
1 124 GLU QB 47 no 100.0 99.1 2.888 2.913 0.025 6 0 no 0.272 0 0
1 124 GLU QG 75 yes 85.0 94.2 0.605 0.642 0.037 4 0 no 0.603 0 1
1 125 GLU QB 145 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 125 GLU QG 117 no 35.0 29.0 0.076 0.262 0.186 2 0 yes 1.443 2 4
1 126 VAL QG 46 no 100.0 99.9 4.173 4.176 0.002 6 0 no 0.191 0 0
1 127 GLU QB 37 no 100.0 99.7 0.841 0.844 0.003 7 1 no 0.093 0 0
1 127 GLU QG 18 no 45.0 9.7 0.025 0.255 0.231 9 2 no 0.879 0 8
1 128 LEU QB 99 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 128 LEU QD 6 no 100.0 97.8 15.604 15.960 0.356 16 6 yes 1.212 2 4
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