NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562156 |
2m72   |
19169 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2m72
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 187
_Stereo_assign_list.Swap_count 8
_Stereo_assign_list.Swap_percentage 4.3
_Stereo_assign_list.Deassign_count 15
_Stereo_assign_list.Deassign_percentage 8.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 114.236
_Stereo_assign_list.Total_e_high_states 603.931
_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 4 ASN QD 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 TYR QB 77 no 55.0 61.7 0.014 0.022 0.009 9 4 no 0.179 0 0
1 6 TYR QD 38 no 55.0 15.2 4.944 32.568 27.624 13 6 yes 3.166 93 106
1 6 TYR QE 44 no 55.0 9.0 2.426 26.996 24.570 12 4 yes 4.169 89 100
1 8 GLN QB 162 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 9 LEU QB 156 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 9 LEU QD 13 no 100.0 71.3 4.521 6.344 1.824 22 6 yes 2.105 11 11
1 10 PRO QB 99 no 100.0 91.8 0.341 0.372 0.031 7 2 no 0.289 0 0
1 10 PRO QD 119 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 10 PRO QG 111 no 5.0 1.0 0.000 0.004 0.004 6 0 no 0.150 0 0
1 12 VAL QG 6 no 100.0 99.5 3.689 3.708 0.019 28 11 no 0.168 0 0
1 14 LEU QB 45 no 30.0 99.9 0.201 0.201 0.000 12 6 no 0.035 0 0
1 14 LEU QD 4 no 100.0 94.5 0.612 0.647 0.035 30 12 no 0.265 0 0
1 15 LYS QD 41 no 20.0 66.0 0.151 0.228 0.078 12 3 no 0.445 0 0
1 15 LYS QG 72 no 65.0 73.7 0.041 0.056 0.015 9 2 no 0.389 0 0
1 16 ASN QB 32 no 85.0 23.2 0.010 0.043 0.033 14 9 no 0.307 0 0
1 16 ASN QD 81 no 35.0 62.0 0.015 0.024 0.009 9 8 no 0.283 0 0
1 17 ILE QG 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 18 GLU QB 129 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 19 GLY QA 104 no 100.0 7.0 0.001 0.014 0.013 7 3 no 0.200 0 0
1 20 LYS QB 46 no 90.0 97.3 0.389 0.400 0.011 11 3 no 0.200 0 0
1 20 LYS QG 96 no 100.0 100.0 0.005 0.005 0.000 7 1 no 0.246 0 0
1 22 VAL QG 7 no 100.0 97.4 3.833 3.934 0.101 26 9 no 0.319 0 0
1 23 GLN QB 53 no 100.0 99.9 2.536 2.538 0.002 10 0 no 0.140 0 0
1 23 GLN QE 168 no 100.0 100.0 0.036 0.036 0.000 3 1 no 0.287 0 0
1 23 GLN QG 15 no 100.0 98.8 2.415 2.445 0.030 22 7 no 0.358 0 0
1 25 ASN QB 56 no 60.0 22.5 0.002 0.011 0.009 10 3 no 0.337 0 0
1 25 ASN QD 140 no 100.0 0.0 0.000 0.000 0.000 5 3 no 0.000 0 0
1 26 LYS QB 167 yes 95.0 22.2 0.629 2.831 2.203 3 1 no 0.000 0 0
1 26 LYS QD 155 no 100.0 50.9 8.111 15.935 7.824 4 2 no 0.054 0 0
1 26 LYS QG 51 yes 100.0 37.5 2.786 7.422 4.637 11 6 no 0.320 0 0
1 27 LEU QB 137 yes 95.0 49.4 3.982 8.063 4.082 5 2 no 0.066 0 0
1 27 LEU QD 22 no 95.0 25.4 1.963 7.737 5.774 16 3 yes 3.315 11 11
1 28 GLU QB 186 no 35.0 84.6 0.171 0.202 0.031 1 0 no 0.568 0 1
1 29 ASN QB 128 no 25.0 99.4 0.169 0.170 0.001 5 0 no 0.104 0 0
1 31 GLY QA 166 no 100.0 100.0 0.001 0.001 0.000 3 1 no 0.085 0 0
1 32 LYS QB 165 no 100.0 0.0 0.000 0.000 0.000 3 1 no 0.000 0 0
1 32 LYS QD 103 no 100.0 96.3 1.056 1.096 0.040 7 3 no 0.311 0 0
1 33 PRO QB 134 no 100.0 100.0 0.004 0.004 0.000 5 1 no 0.130 0 0
1 33 PRO QD 139 no 35.0 87.3 0.034 0.039 0.005 5 3 no 0.192 0 0
1 34 MET QG 110 no 55.0 99.8 0.252 0.252 0.001 6 0 no 0.073 0 0
1 36 ILE QG 69 no 100.0 92.1 0.177 0.192 0.015 9 1 no 0.251 0 0
1 37 SER QB 31 no 100.0 89.7 0.363 0.404 0.041 14 9 no 0.336 0 0
1 38 PHE QB 47 no 20.0 100.0 0.000 0.000 0.000 11 4 no 0.000 0 0
1 38 PHE QD 48 no 95.0 95.3 2.758 2.895 0.137 11 5 yes 1.037 1 3
1 38 PHE QE 102 no 95.0 96.5 7.839 8.121 0.282 7 3 yes 2.360 1 1
1 39 PHE QB 115 no 95.0 9.7 0.000 0.004 0.003 6 1 no 0.144 0 0
1 39 PHE QD 92 yes 100.0 100.0 8.065 8.065 0.000 8 2 no 0.000 0 0
1 39 PHE QE 101 yes 100.0 99.9 8.897 8.906 0.008 7 3 no 0.207 0 0
1 42 ASN QB 154 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.072 0 0
1 42 ASN QD 180 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 43 CYS QB 109 no 25.0 99.7 0.100 0.100 0.000 6 0 no 0.066 0 0
1 45 PRO QB 170 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 45 PRO QD 91 no 15.0 71.6 0.097 0.135 0.038 8 2 no 0.332 0 0
1 46 CYS QB 178 no 10.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 47 LEU QB 126 no 85.0 88.4 0.151 0.170 0.020 6 4 no 0.310 0 0
1 47 LEU QD 17 no 50.0 90.2 0.517 0.573 0.056 20 8 no 0.336 0 0
1 48 ARG QB 98 no 50.0 75.4 0.064 0.085 0.021 7 2 no 0.189 0 0
1 48 ARG QD 58 no 55.0 59.4 0.131 0.221 0.090 10 4 no 0.381 0 0
1 49 GLU QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 49 GLU QG 118 no 100.0 0.8 0.000 0.046 0.045 6 2 no 0.462 0 0
1 50 LEU QB 50 no 100.0 8.0 0.728 9.055 8.327 11 6 yes 2.807 28 28
1 50 LEU QD 2 no 100.0 90.6 6.880 7.594 0.713 32 18 yes 1.277 8 14
1 53 ILE QG 133 no 100.0 100.0 0.004 0.004 0.000 5 1 no 0.116 0 0
1 54 GLN QB 149 no 10.0 5.1 0.000 0.001 0.001 4 0 no 0.117 0 0
1 54 GLN QE 148 no 10.0 100.0 0.004 0.004 0.000 4 0 no 0.000 0 0
1 55 GLU QG 68 no 80.0 96.5 0.057 0.059 0.002 9 1 no 0.123 0 0
1 56 VAL QG 10 no 100.0 99.9 4.624 4.627 0.004 23 2 no 0.222 0 0
1 57 TYR QB 67 no 70.0 100.0 0.002 0.002 0.000 9 1 no 0.000 0 0
1 57 TYR QD 49 no 100.0 92.1 22.283 24.205 1.921 11 6 yes 1.855 14 14
1 57 TYR QE 28 no 100.0 91.9 58.772 63.970 5.198 15 10 yes 2.237 28 28
1 59 ASP QB 95 no 100.0 0.0 0.000 0.002 0.002 7 0 no 0.079 0 0
1 60 TRP QB 71 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0
1 61 GLN QB 85 no 40.0 26.4 0.002 0.007 0.005 8 0 no 0.125 0 0
1 61 GLN QE 107 no 5.0 93.0 0.010 0.011 0.001 7 5 no 0.094 0 0
1 61 GLN QG 26 no 100.0 91.8 0.366 0.398 0.033 15 9 no 0.386 0 0
1 62 ASP QB 84 no 30.0 79.0 0.147 0.186 0.039 8 0 no 0.383 0 0
1 63 GLU QB 132 no 100.0 0.0 0.000 0.024 0.024 5 1 no 0.366 0 0
1 63 GLU QG 176 no 5.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 GLY QA 153 no 95.0 100.0 0.207 0.207 0.000 4 1 no 0.000 0 0
1 66 VAL QG 12 no 100.0 99.8 10.327 10.349 0.021 23 7 no 0.280 0 0
1 67 ARG QB 54 no 90.0 99.8 0.438 0.439 0.001 10 2 no 0.094 0 0
1 67 ARG QD 185 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 68 LEU QB 27 no 100.0 99.0 2.384 2.409 0.025 15 10 no 0.293 0 0
1 68 LEU QD 1 no 85.0 16.9 0.164 0.967 0.803 37 20 yes 1.018 1 24
1 69 ILE QG 138 no 5.0 87.2 0.001 0.002 0.000 5 3 no 0.040 0 0
1 71 VAL QG 5 no 100.0 96.5 1.799 1.864 0.065 30 13 no 0.966 0 1
1 72 SER QB 131 no 65.0 80.7 0.002 0.003 0.000 5 1 no 0.083 0 0
1 74 ASP QB 127 no 35.0 95.3 0.115 0.121 0.006 5 0 no 0.223 0 0
1 75 GLU QB 130 no 15.0 52.2 0.039 0.075 0.036 5 1 no 0.252 0 0
1 75 GLU QG 108 no 80.0 99.5 0.666 0.670 0.003 6 0 no 0.142 0 0
1 76 GLY QA 152 no 95.0 91.1 0.372 0.408 0.036 4 1 no 0.252 0 0
1 77 GLN QB 175 no 100.0 100.0 0.007 0.007 0.000 2 0 no 0.132 0 0
1 78 ASN QB 57 no 100.0 61.3 0.007 0.012 0.005 10 4 no 0.210 0 0
1 78 ASN QD 125 no 100.0 4.2 0.001 0.019 0.019 6 4 no 0.610 0 1
1 80 GLN QB 147 no 100.0 0.0 0.000 0.007 0.007 4 0 no 0.115 0 0
1 81 LYS QG 136 no 80.0 82.7 0.052 0.062 0.011 5 2 no 0.333 0 0
1 82 VAL QG 37 no 100.0 92.5 1.950 2.109 0.159 13 6 no 0.394 0 0
1 83 LYS QB 164 no 100.0 98.4 1.723 1.751 0.028 3 1 no 0.394 0 0
1 83 LYS QG 66 no 100.0 93.1 2.140 2.299 0.158 9 0 no 0.532 0 1
1 84 PRO QB 124 no 100.0 100.0 0.042 0.042 0.000 6 4 no 0.000 0 0
1 84 PRO QD 36 no 100.0 0.0 0.000 0.053 0.053 13 6 no 0.301 0 0
1 84 PRO QG 90 no 5.0 33.4 0.006 0.019 0.012 8 2 no 0.131 0 0
1 85 LEU QB 94 no 100.0 0.0 0.000 0.010 0.010 8 3 no 0.113 0 0
1 85 LEU QD 19 yes 100.0 83.1 9.342 11.245 1.903 19 6 yes 1.823 7 13
1 89 ASN QB 89 no 90.0 51.6 0.007 0.013 0.006 8 2 no 0.195 0 0
1 89 ASN QD 106 no 40.0 98.3 0.040 0.040 0.001 7 4 no 0.103 0 0
1 91 TRP QB 70 no 0.0 0.0 0.000 4.297 4.297 9 2 no 0.000 0 0
1 92 GLU QB 151 no 70.0 98.5 1.176 1.193 0.017 4 1 no 0.213 0 0
1 93 TYR QB 123 no 100.0 0.0 0.000 0.000 0.000 6 3 no 0.000 0 0
1 93 TYR QD 33 no 70.0 77.1 11.912 15.446 3.534 14 10 yes 3.668 45 75
1 93 TYR QE 52 no 70.0 62.1 9.161 14.747 5.586 11 9 yes 2.094 58 76
1 94 GLU QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 94 GLU QG 34 no 25.0 48.3 0.047 0.098 0.051 13 4 no 0.506 0 1
1 95 VAL QG 20 yes 100.0 90.6 6.614 7.302 0.688 17 2 yes 1.182 5 14
1 96 LEU QB 62 no 100.0 89.8 0.050 0.056 0.006 10 5 no 0.479 0 0
1 96 LEU QD 9 no 100.0 99.9 7.137 7.144 0.007 24 11 no 0.171 0 0
1 97 LEU QB 80 no 40.0 94.7 0.221 0.233 0.012 9 5 no 0.313 0 0
1 97 LEU QD 16 no 100.0 99.3 5.498 5.535 0.037 20 6 no 0.389 0 0
1 98 ASP QB 122 no 100.0 100.0 0.020 0.020 0.000 6 3 no 0.265 0 0
1 100 ASN QB 76 no 15.0 80.4 0.105 0.131 0.026 9 4 no 0.496 0 0
1 100 ASN QD 159 no 50.0 100.0 0.001 0.001 0.000 4 4 no 0.000 0 0
1 102 ASP QB 135 no 15.0 62.7 0.003 0.005 0.002 5 2 no 0.154 0 0
1 103 PHE QB 64 no 15.0 100.0 0.000 0.000 0.000 10 7 no 0.000 0 0
1 103 PHE QD 24 no 100.0 100.0 17.511 17.513 0.003 16 9 no 0.121 0 0
1 103 PHE QE 30 no 100.0 99.9 15.921 15.936 0.015 14 7 no 0.251 0 0
1 104 LYS QB 88 no 20.0 92.2 0.373 0.404 0.031 8 2 no 0.398 0 0
1 105 ARG QB 43 no 65.0 97.2 0.315 0.324 0.009 12 4 no 0.230 0 0
1 105 ARG QD 105 no 5.0 100.0 0.042 0.042 0.000 7 4 no 0.000 0 0
1 105 ARG QG 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 107 MET QG 73 no 85.0 99.8 0.409 0.410 0.001 9 3 no 0.085 0 0
1 108 ASN QB 61 no 95.0 99.7 2.321 2.328 0.007 10 5 no 0.139 0 0
1 108 ASN QD 158 no 100.0 0.0 0.000 0.001 0.001 4 4 no 0.074 0 0
1 109 VAL QG 3 no 100.0 100.0 2.151 2.151 0.000 31 11 no 0.048 0 0
1 110 SER QB 163 no 35.0 91.1 0.108 0.119 0.011 3 1 no 0.290 0 0
1 111 LEU QB 79 no 65.0 97.5 0.245 0.251 0.006 9 5 no 0.290 0 0
1 111 LEU QD 25 no 90.0 92.1 0.183 0.199 0.016 15 5 no 0.170 0 0
1 113 PRO QB 184 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 113 PRO QD 187 no 100.0 100.0 0.014 0.014 0.000 1 1 no 0.170 0 0
1 113 PRO QG 169 no 100.0 97.4 0.554 0.569 0.015 3 2 no 0.172 0 0
1 115 VAL QG 18 no 100.0 98.6 2.279 2.311 0.032 20 9 no 0.299 0 0
1 116 PHE QB 87 no 100.0 100.0 0.001 0.001 0.000 8 2 no 0.117 0 0
1 116 PHE QD 42 no 100.0 100.0 18.235 18.238 0.003 12 4 no 0.131 0 0
1 116 PHE QE 63 no 100.0 100.0 18.866 18.869 0.003 10 6 no 0.133 0 0
1 117 ILE QG 86 no 40.0 94.9 0.009 0.010 0.001 8 1 no 0.067 0 0
1 118 VAL QG 8 no 100.0 99.8 4.669 4.677 0.008 25 4 no 0.212 0 0
1 119 ASP QB 75 no 100.0 100.0 0.000 0.000 0.000 9 4 no 0.086 0 0
1 120 GLY QA 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 121 ASN QB 60 no 25.0 56.4 0.007 0.012 0.005 10 5 no 0.107 0 0
1 121 ASN QD 157 no 90.0 99.4 0.177 0.178 0.001 4 4 no 0.068 0 0
1 122 GLY QA 100 no 60.0 99.4 0.056 0.056 0.000 7 3 no 0.063 0 0
1 123 LYS QB 114 no 65.0 99.8 0.491 0.492 0.001 6 1 no 0.072 0 0
1 123 LYS QG 144 no 35.0 43.5 0.001 0.002 0.001 4 0 no 0.086 0 0
1 124 ILE QG 143 no 50.0 90.6 0.018 0.020 0.002 4 0 no 0.194 0 0
1 125 VAL QG 121 no 5.0 98.1 0.000 0.000 0.000 6 3 no 0.003 0 0
1 126 TYR QB 40 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 126 TYR QD 29 no 100.0 100.0 32.929 32.931 0.002 14 6 no 0.092 0 0
1 126 TYR QE 39 no 100.0 99.9 43.579 43.605 0.027 13 7 no 0.268 0 0
1 127 ASN QB 23 no 95.0 84.4 0.060 0.071 0.011 16 4 no 0.285 0 0
1 128 HIS QB 78 no 50.0 100.0 0.098 0.098 0.000 9 5 no 0.000 0 0
1 130 GLY QA 173 no 80.0 100.0 0.006 0.006 0.000 2 0 no 0.000 0 0
1 131 TYR QB 120 no 100.0 0.0 0.000 0.000 0.000 6 3 no 0.000 0 0
1 131 TYR QD 74 no 100.0 99.8 7.655 7.673 0.019 9 4 no 0.172 0 0
1 131 TYR QE 35 no 100.0 99.9 52.729 52.808 0.079 13 5 no 0.462 0 0
1 134 GLY QA 183 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 135 GLY QA 83 yes 95.0 92.3 0.156 0.169 0.013 8 0 no 0.363 0 0
1 136 GLU QB 82 no 50.0 97.8 1.342 1.371 0.030 8 0 no 0.303 0 0
1 138 GLU QG 55 no 100.0 98.8 2.738 2.771 0.032 10 3 no 0.264 0 0
1 139 LEU QB 117 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 139 LEU QD 14 no 100.0 99.9 1.993 1.995 0.002 22 7 no 0.092 0 0
1 140 ILE QG 182 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 141 LYS QE 93 no 95.0 99.5 1.842 1.852 0.010 8 3 no 0.240 0 0
1 141 LYS QG 97 no 60.0 99.8 0.326 0.327 0.001 7 2 no 0.109 0 0
1 142 LYS QB 181 no 100.0 100.0 0.001 0.001 0.000 1 0 no 0.158 0 0
1 142 LYS QG 113 no 45.0 88.6 0.270 0.304 0.035 6 1 no 0.410 0 0
1 143 VAL QG 21 no 100.0 99.4 4.287 4.311 0.024 16 1 no 0.346 0 0
1 144 ARG QD 161 no 10.0 99.8 0.012 0.012 0.000 3 0 no 0.022 0 0
1 144 ARG QG 65 no 75.0 98.0 0.830 0.846 0.017 9 0 no 0.421 0 0
1 145 GLU QB 142 no 15.0 23.9 0.002 0.009 0.007 4 0 no 0.126 0 0
1 145 GLU QG 116 no 40.0 94.3 0.761 0.807 0.046 6 2 no 0.410 0 0
1 146 LEU QB 59 no 100.0 100.0 0.004 0.004 0.000 10 5 no 0.174 0 0
1 146 LEU QD 11 no 100.0 99.8 7.339 7.352 0.013 23 7 no 0.180 0 0
1 147 VAL QG 112 no 100.0 99.7 3.617 3.629 0.012 6 1 no 0.257 0 0
1 148 LYS QG 141 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.141 0 0
1 149 GLU QB 160 no 20.0 28.6 0.006 0.020 0.014 3 0 no 0.248 0 0
1 150 GLY QA 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 156 HIS QB 171 no 10.0 75.6 0.001 0.001 0.000 2 0 no 0.072 0 0
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