NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
538505 |
2lrt   |
18394 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lrt
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 187
_Stereo_assign_list.Swap_count 9
_Stereo_assign_list.Swap_percentage 4.8
_Stereo_assign_list.Deassign_count 11
_Stereo_assign_list.Deassign_percentage 5.9
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 71.693
_Stereo_assign_list.Total_e_high_states 700.660
_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 GLU QB 169 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 5 ILE QG 156 no 50.0 99.9 0.267 0.267 0.000 5 0 no 0.052 0 0
1 6 PRO QB 160 no 25.0 96.5 0.047 0.048 0.002 5 4 no 0.101 0 0
1 6 PRO QD 97 no 100.0 99.2 0.004 0.004 0.000 10 4 no 0.200 0 0
1 6 PRO QG 155 no 55.0 99.3 0.418 0.421 0.003 5 0 no 0.137 0 0
1 7 GLU QB 178 no 10.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 ASP QB 184 no 50.0 98.2 0.042 0.043 0.001 1 0 no 0.083 0 0
1 9 LYS QB 168 no 45.0 76.9 0.019 0.025 0.006 3 0 no 0.223 0 0
1 10 ILE QG 154 no 30.0 94.1 0.055 0.059 0.003 5 0 no 0.224 0 0
1 11 LYS QB 162 no 0.0 0.0 0.000 0.020 0.020 4 0 no 0.504 0 1
1 11 LYS QG 177 no 20.0 88.6 0.014 0.016 0.002 2 0 no 0.100 0 0
1 12 GLU QB 139 no 60.0 99.0 0.210 0.212 0.002 6 0 no 0.118 0 0
1 15 ILE QG 102 no 10.0 76.4 0.011 0.014 0.003 9 0 no 0.138 0 0
1 16 ILE QG 130 no 95.0 61.7 1.686 2.731 1.045 7 2 no 0.229 0 0
1 17 ASP QB 145 no 40.0 99.9 0.255 0.255 0.000 6 2 no 0.055 0 0
1 18 ILE QG 90 no 25.0 98.4 0.648 0.659 0.011 10 0 no 0.143 0 0
1 19 GLN QB 18 no 25.0 67.7 0.010 0.015 0.005 19 8 no 0.245 0 0
1 19 GLN QE 83 no 30.0 99.4 0.141 0.142 0.001 11 6 no 0.085 0 0
1 20 LEU QB 138 no 100.0 100.0 0.014 0.014 0.000 6 0 no 0.238 0 0
1 21 LYS QB 46 yes 100.0 99.8 0.157 0.158 0.000 14 2 no 0.066 0 0
1 21 LYS QG 45 no 65.0 96.4 0.121 0.126 0.004 14 1 no 0.139 0 0
1 22 ASP QB 39 no 65.0 99.7 0.226 0.227 0.001 15 4 no 0.089 0 0
1 23 LEU QB 73 no 95.0 80.6 0.168 0.208 0.040 11 0 no 0.293 0 0
1 24 LYS QB 110 no 100.0 73.7 0.013 0.017 0.005 9 4 no 0.166 0 0
1 24 LYS QE 187 no 10.0 61.4 0.003 0.005 0.002 1 1 no 0.191 0 0
1 24 LYS QG 71 no 85.0 97.5 0.480 0.493 0.012 12 5 no 0.265 0 0
1 25 GLY QA 121 no 100.0 100.0 0.000 0.000 0.000 8 3 no 0.036 0 0
1 26 ASN QB 109 no 95.0 96.5 0.838 0.868 0.030 9 4 no 0.238 0 0
1 26 ASN QD 35 no 100.0 85.1 0.015 0.017 0.003 17 12 no 0.238 0 0
1 28 ARG QB 34 no 90.0 4.2 0.031 0.747 0.715 17 12 no 0.133 0 0
1 28 ARG QD 114 no 100.0 99.5 2.228 2.239 0.011 9 5 no 0.168 0 0
1 28 ARG QG 144 no 95.0 37.6 0.348 0.926 0.578 6 2 no 0.264 0 0
1 29 SER QB 16 no 85.0 95.7 0.113 0.118 0.005 19 6 no 0.245 0 0
1 32 ASP QB 91 no 100.0 99.9 1.217 1.218 0.001 10 1 no 0.136 0 0
1 33 LEU QB 95 no 25.0 96.4 0.523 0.542 0.019 10 2 no 0.282 0 0
1 34 LYS QB 77 no 45.0 87.0 0.016 0.019 0.002 11 3 no 0.093 0 0
1 34 LYS QD 186 no 100.0 100.0 0.000 0.000 0.000 1 1 no 0.014 0 0
1 35 GLY QA 129 no 100.0 0.0 0.000 0.005 0.005 7 2 no 0.213 0 0
1 36 LYS QB 107 no 90.0 91.2 0.240 0.263 0.023 9 3 no 0.349 0 0
1 36 LYS QG 60 no 55.0 95.6 0.197 0.206 0.009 13 2 no 0.184 0 0
1 37 VAL QG 23 no 85.0 96.5 0.464 0.481 0.017 18 1 no 0.242 0 0
1 38 VAL QG 2 no 100.0 100.0 2.705 2.706 0.001 30 11 no 0.136 0 0
1 39 LEU QB 146 no 100.0 100.0 0.030 0.030 0.000 6 3 no 0.258 0 0
1 40 ILE QG 89 no 100.0 4.5 0.001 0.019 0.019 10 0 no 0.413 0 0
1 41 ASP QB 29 no 10.0 61.9 0.017 0.028 0.011 17 0 no 0.151 0 0
1 42 PHE QB 36 no 100.0 89.3 0.043 0.049 0.005 16 4 no 0.211 0 0
1 42 PHE QD 106 no 95.0 95.6 5.180 5.416 0.236 9 2 yes 1.604 2 3
1 42 PHE QE 149 no 95.0 93.1 5.382 5.779 0.397 6 4 yes 1.966 1 1
1 44 VAL QG 44 no 100.0 98.6 5.185 5.260 0.074 15 9 no 0.336 0 0
1 45 TYR QB 164 no 100.0 0.0 0.000 0.000 0.000 4 1 no 0.000 0 0
1 45 TYR QD 128 no 100.0 100.0 26.269 26.269 0.000 7 2 no 0.017 0 0
1 45 TYR QE 20 no 100.0 100.0 43.108 43.126 0.018 19 10 no 0.181 0 0
1 46 ASN QB 63 no 15.0 77.9 0.135 0.174 0.038 13 8 no 0.246 0 0
1 46 ASN QD 150 no 100.0 6.1 0.001 0.009 0.008 6 6 no 0.181 0 0
1 47 ASN QB 33 no 60.0 91.4 0.197 0.215 0.019 17 9 no 0.165 0 0
1 47 ASN QD 133 no 75.0 3.7 0.002 0.042 0.041 7 5 no 0.282 0 0
1 49 MET QB 105 no 35.0 98.8 0.024 0.025 0.000 9 2 no 0.076 0 0
1 49 MET QG 174 no 100.0 0.0 0.000 0.000 0.000 3 2 no 0.000 0 0
1 50 SER QB 120 no 85.0 99.5 0.526 0.528 0.002 8 2 no 0.077 0 0
1 53 HIS QB 64 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 54 ASN QB 50 no 100.0 10.5 0.000 0.004 0.004 14 4 no 0.122 0 0
1 54 ASN QD 82 no 40.0 92.2 0.004 0.005 0.000 11 6 no 0.087 0 0
1 55 LEU QB 101 no 100.0 99.5 0.009 0.009 0.000 9 0 no 0.121 0 0
1 57 LEU QB 88 no 100.0 100.0 0.000 0.000 0.000 10 0 no 0.026 0 0
1 58 ARG QB 11 no 100.0 99.5 0.820 0.824 0.004 20 0 no 0.146 0 0
1 58 ARG QD 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 58 ARG QG 27 no 100.0 99.5 3.196 3.212 0.015 18 5 no 0.237 0 0
1 59 GLU QB 37 no 100.0 87.5 0.413 0.473 0.059 15 0 no 0.249 0 0
1 59 GLU QG 137 no 100.0 99.6 1.046 1.050 0.004 6 0 no 0.284 0 0
1 60 LEU QB 113 yes 100.0 100.0 0.124 0.124 0.000 9 5 no 0.000 0 0
1 61 TYR QB 24 no 100.0 100.0 0.011 0.011 0.000 18 2 no 0.142 0 0
1 61 TYR QD 42 no 100.0 100.0 15.565 15.567 0.002 15 8 no 0.110 0 0
1 61 TYR QE 62 no 100.0 100.0 38.740 38.741 0.001 13 7 no 0.064 0 0
1 62 ASN QB 70 no 90.0 98.7 0.501 0.507 0.007 12 4 no 0.152 0 0
1 62 ASN QD 84 no 75.0 98.9 0.196 0.198 0.002 11 7 no 0.100 0 0
1 63 LYS QB 48 no 95.0 15.0 0.001 0.004 0.003 14 3 no 0.111 0 0
1 63 LYS QD 185 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 63 LYS QG 75 no 100.0 0.0 0.000 0.000 0.000 11 2 no 0.036 0 0
1 64 TYR QB 28 no 100.0 97.2 1.957 2.013 0.056 18 7 no 0.084 0 0
1 64 TYR QD 47 yes 100.0 100.0 34.683 34.683 0.000 14 3 no 0.035 0 0
1 64 TYR QE 21 yes 100.0 100.0 52.017 52.035 0.019 19 13 no 0.303 0 0
1 66 SER QB 179 no 95.0 100.0 0.518 0.519 0.000 2 1 no 0.059 0 0
1 67 GLN QB 41 no 100.0 97.2 0.042 0.043 0.001 15 6 no 0.098 0 0
1 67 GLN QE 96 no 85.0 76.9 0.005 0.007 0.002 10 3 no 0.332 0 0
1 68 GLY QA 66 no 100.0 0.6 0.000 0.001 0.001 12 2 no 0.100 0 0
1 69 PHE QB 7 no 40.0 80.9 0.007 0.009 0.002 23 6 no 0.063 0 0
1 69 PHE QD 14 no 100.0 100.0 34.870 34.870 0.000 19 5 no 0.045 0 0
1 69 PHE QE 30 no 100.0 100.0 13.045 13.046 0.000 17 4 no 0.057 0 0
1 70 GLU QB 132 no 15.0 83.7 0.005 0.006 0.001 7 4 no 0.093 0 0
1 70 GLU QG 173 no 30.0 97.6 0.035 0.036 0.001 3 2 no 0.074 0 0
1 71 ILE QG 157 no 5.0 93.4 0.004 0.005 0.000 5 1 no 0.053 0 0
1 72 TYR QB 79 no 95.0 90.8 0.011 0.012 0.001 11 4 no 0.000 0 0
1 72 TYR QD 8 no 95.0 95.1 48.929 51.450 2.521 23 11 yes 3.284 9 13
1 72 TYR QE 15 no 95.0 94.2 27.155 28.833 1.678 19 6 yes 2.155 12 12
1 73 GLN QB 61 no 60.0 98.2 0.135 0.137 0.002 13 3 no 0.119 0 0
1 73 GLN QE 69 no 15.0 97.0 0.034 0.035 0.001 12 4 no 0.131 0 0
1 74 ILE QG 57 no 15.0 11.1 0.104 0.939 0.835 14 8 no 0.051 0 0
1 75 SER QB 10 no 85.0 99.6 0.322 0.324 0.001 21 6 no 0.126 0 0
1 76 LEU QB 112 no 95.0 99.4 1.033 1.039 0.006 9 5 no 0.124 0 0
1 77 ASP QB 143 no 70.0 92.8 0.049 0.053 0.004 6 2 no 0.182 0 0
1 79 ASP QB 104 no 100.0 99.9 1.248 1.250 0.002 9 2 no 0.110 0 0
1 80 GLU QB 153 no 100.0 0.0 0.000 0.005 0.005 5 0 no 0.137 0 0
1 82 PHE QB 123 no 30.0 100.0 0.004 0.004 0.000 8 4 no 0.000 0 0
1 82 PHE QD 98 no 100.0 99.9 27.673 27.697 0.024 10 5 no 0.246 0 0
1 83 TRP QB 49 no 65.0 99.4 0.358 0.360 0.002 14 4 no 0.128 0 0
1 84 LYS QB 22 no 80.0 99.2 0.752 0.758 0.006 18 0 no 0.246 0 0
1 84 LYS QG 117 no 65.0 99.7 0.247 0.248 0.001 8 0 no 0.064 0 0
1 86 SER QB 54 no 15.0 88.1 0.068 0.077 0.009 14 7 no 0.200 0 0
1 88 ASP QB 100 no 85.0 2.2 0.000 0.016 0.016 9 0 no 0.251 0 0
1 89 ASN QB 78 no 50.0 50.2 0.001 0.001 0.001 11 4 no 0.059 0 0
1 89 ASN QD 167 no 100.0 0.0 0.000 0.001 0.001 4 4 no 0.059 0 0
1 90 LEU QB 125 no 70.0 85.6 0.061 0.071 0.010 7 0 no 0.243 0 0
1 91 PRO QB 172 no 95.0 83.1 0.000 0.000 0.000 3 2 no 0.053 0 0
1 91 PRO QD 87 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.005 0 0
1 91 PRO QG 141 no 100.0 97.2 0.069 0.071 0.002 6 1 no 0.379 0 0
1 92 TRP QB 65 no 100.0 0.0 0.000 0.001 0.001 12 2 no 0.129 0 0
1 93 VAL QG 19 no 100.0 94.2 5.134 5.447 0.314 19 9 no 0.000 0 0
1 94 CYS QB 59 no 5.0 4.4 0.000 0.004 0.004 13 2 no 0.270 0 0
1 95 VAL QG 1 no 75.0 39.8 0.007 0.017 0.010 31 10 no 0.168 0 0
1 96 ARG QB 111 no 95.0 100.0 0.104 0.104 0.000 9 5 no 0.000 0 0
1 96 ARG QD 124 no 15.0 95.0 0.044 0.046 0.002 8 7 no 0.134 0 0
1 96 ARG QG 118 no 35.0 98.1 0.034 0.035 0.001 8 1 no 0.115 0 0
1 97 ASP QB 58 no 100.0 0.0 0.000 0.000 0.000 13 2 no 0.000 0 0
1 99 ASN QB 81 no 100.0 62.4 6.353 10.178 3.825 11 5 yes 3.623 1 1
1 99 ASN QD 148 no 50.0 60.0 0.001 0.002 0.001 6 4 no 0.089 0 0
1 100 GLY QA 68 no 100.0 79.8 0.000 0.000 0.000 12 4 no 0.051 0 0
1 102 TYR QB 142 no 95.0 75.2 0.004 0.005 0.001 6 2 no 0.000 0 0
1 102 TYR QD 131 yes 95.0 89.4 9.541 10.669 1.128 7 3 yes 3.118 2 3
1 102 TYR QE 183 no 5.0 45.1 0.001 0.001 0.001 1 0 no 0.114 0 0
1 103 SER QB 67 no 0.0 0.0 0.000 0.000 0.000 12 4 no 0.044 0 0
1 104 SER QB 103 no 100.0 94.9 0.912 0.961 0.049 9 1 no 0.000 0 0
1 105 TYR QB 76 no 100.0 0.0 0.000 0.000 0.000 11 3 no 0.000 0 0
1 105 TYR QD 53 yes 95.0 92.7 46.562 50.233 3.671 14 7 yes 4.193 4 7
1 105 TYR QE 170 yes 95.0 94.9 1.502 1.582 0.080 3 1 yes 1.066 1 1
1 106 ILE QG 32 no 25.0 0.0 0.000 29.273 29.273 17 8 no 0.087 0 0
1 108 LEU QB 94 no 100.0 100.0 0.363 0.363 0.000 10 2 no 0.000 0 0
1 109 TYR QB 80 no 100.0 98.8 1.561 1.580 0.019 11 5 no 0.255 0 0
1 109 TYR QD 56 yes 100.0 99.5 24.470 24.594 0.124 14 8 no 0.082 0 0
1 109 TYR QE 52 yes 100.0 96.0 90.927 94.761 3.834 14 7 yes 1.447 2 2
1 110 ASN QB 147 no 80.0 76.9 0.003 0.004 0.001 6 4 no 0.085 0 0
1 110 ASN QD 134 no 100.0 98.3 1.892 1.924 0.032 7 6 no 0.321 0 0
1 111 VAL QG 6 no 100.0 78.1 2.635 3.374 0.739 25 9 no 0.321 0 0
1 113 ASN QB 122 no 25.0 99.5 0.002 0.002 0.000 8 4 no 0.013 0 0
1 113 ASN QD 166 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 114 LEU QB 158 no 100.0 100.0 0.003 0.003 0.000 5 2 no 0.152 0 0
1 115 PRO QB 26 no 75.0 99.6 0.401 0.403 0.002 18 5 no 0.074 0 0
1 115 PRO QD 116 no 100.0 0.0 0.000 0.000 0.000 9 7 no 0.076 0 0
1 115 PRO QG 136 no 60.0 99.5 0.217 0.218 0.001 6 0 no 0.072 0 0
1 117 VAL QG 9 no 100.0 95.4 0.505 0.529 0.024 22 3 no 0.362 0 0
1 118 PHE QB 13 no 60.0 80.5 0.018 0.023 0.004 19 3 no 0.114 0 0
1 118 PHE QD 12 no 85.0 49.6 14.870 29.998 15.128 20 10 yes 3.557 33 37
1 118 PHE QE 171 no 85.0 64.5 2.404 3.728 1.324 3 2 yes 2.661 3 3
1 119 LEU QB 119 no 70.0 53.7 0.059 0.110 0.051 8 2 no 0.275 0 0
1 120 VAL QG 5 no 50.0 70.4 0.052 0.074 0.022 25 5 no 0.238 0 0
1 121 ASN QB 40 no 80.0 98.9 1.564 1.582 0.017 15 6 no 0.222 0 0
1 121 ASN QD 55 no 20.0 99.3 0.293 0.295 0.002 14 8 no 0.141 0 0
1 123 ASN QB 17 no 75.0 15.6 0.004 0.023 0.019 19 7 no 0.284 0 0
1 123 ASN QD 159 no 30.0 100.0 0.001 0.001 0.000 5 4 no 0.000 0 0
1 124 ASN QB 4 no 95.0 99.6 2.024 2.031 0.007 27 9 no 0.168 0 0
1 124 ASN QD 3 no 100.0 83.6 0.040 0.048 0.008 29 10 no 0.324 0 0
1 125 GLU QB 43 no 85.0 99.6 0.531 0.533 0.002 15 9 no 0.141 0 0
1 126 LEU QB 93 no 45.0 99.2 0.089 0.090 0.001 10 2 no 0.088 0 0
1 127 SER QB 38 no 35.0 46.2 0.049 0.107 0.058 15 4 no 0.275 0 0
1 129 ARG QB 31 no 20.0 70.3 1.053 1.498 0.445 17 8 no 0.169 0 0
1 129 ARG QD 72 no 45.0 21.9 0.683 3.115 2.431 12 7 no 0.233 0 0
1 130 GLY QA 25 no 95.0 73.2 0.017 0.023 0.006 18 5 no 0.289 0 0
1 131 GLU QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 131 GLU QG 175 no 30.0 99.9 0.072 0.072 0.000 2 0 no 0.035 0 0
1 132 ASN QB 51 no 35.0 89.8 0.113 0.126 0.013 14 5 no 0.190 0 0
1 132 ASN QD 115 no 95.0 98.2 0.267 0.272 0.005 9 6 no 0.211 0 0
1 133 ILE QG 92 no 95.0 95.8 0.267 0.279 0.012 10 2 no 0.345 0 0
1 134 LYS QG 163 no 45.0 95.6 0.173 0.181 0.008 4 1 no 0.201 0 0
1 135 ASP QB 140 no 60.0 98.9 0.540 0.546 0.006 6 1 no 0.165 0 0
1 136 LEU QB 86 no 95.0 28.6 0.008 0.029 0.020 10 0 no 0.219 0 0
1 137 ASP QB 126 no 100.0 99.0 0.981 0.991 0.010 7 1 no 0.133 0 0
1 138 GLU QG 152 no 25.0 25.3 0.012 0.046 0.034 5 0 no 0.327 0 0
1 140 ILE QG 85 no 100.0 98.0 0.541 0.552 0.011 10 0 no 0.140 0 0
1 141 LYS QB 74 no 100.0 89.4 0.101 0.113 0.012 11 2 no 0.447 0 0
1 141 LYS QD 165 no 30.0 89.2 0.095 0.106 0.011 4 2 no 0.303 0 0
1 141 LYS QE 182 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.031 0 0
1 141 LYS QG 108 no 10.0 88.4 0.017 0.019 0.002 9 4 no 0.146 0 0
1 142 LYS QB 181 no 55.0 60.9 0.135 0.221 0.087 1 0 no 0.486 0 0
1 142 LYS QG 127 no 40.0 99.7 0.508 0.509 0.001 7 2 no 0.120 0 0
1 143 LEU QB 99 no 100.0 99.6 2.040 2.049 0.009 9 0 no 0.105 0 0
1 144 LEU QB 135 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.182 0 0
1 145 GLU QG 151 no 10.0 82.5 0.035 0.043 0.008 5 0 no 0.206 0 0
1 152 HIS QB 180 no 15.0 94.7 0.018 0.019 0.001 1 0 no 0.121 0 0
stop_
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