NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437608 |
2k36   |
15740 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2k36
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 188
_Stereo_assign_list.Swap_count 10
_Stereo_assign_list.Swap_percentage 5.3
_Stereo_assign_list.Deassign_count 49
_Stereo_assign_list.Deassign_percentage 26.1
_Stereo_assign_list.Model_count 15
_Stereo_assign_list.Total_e_low_states 173.969
_Stereo_assign_list.Total_e_high_states 1429.319
_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 8 GLU QB 133 no 100.0 64.4 2.920 4.535 1.615 4 0 yes 1.577 12 14
1 8 GLU QG 90 no 86.7 64.5 0.668 1.035 0.367 10 0 yes 0.851 0 10
1 9 ASP QB 172 no 13.3 85.3 0.081 0.094 0.014 2 1 no 0.278 0 0
1 11 VAL QG 13 no 100.0 97.7 20.568 21.055 0.487 31 6 no 0.553 0 5
1 12 PHE QB 43 no 66.7 7.7 0.043 0.562 0.519 20 2 yes 0.636 0 15
1 12 PHE QD 117 no 100.0 66.4 7.200 10.851 3.650 6 3 yes 1.840 15 15
1 12 PHE QE 114 no 100.0 99.1 28.446 28.703 0.257 6 1 no 0.565 0 6
1 13 TYR QB 42 no 100.0 72.5 0.126 0.174 0.048 20 1 no 0.236 0 0
1 14 PHE QB 58 no 100.0 74.6 0.254 0.341 0.086 18 7 no 0.409 0 0
1 14 PHE QD 102 yes 100.0 98.1 36.226 36.945 0.719 8 4 yes 0.878 0 15
1 14 PHE QE 139 yes 100.0 99.6 40.563 40.741 0.178 4 2 no 0.546 0 2
1 15 VAL QG 2 no 100.0 98.6 37.781 38.314 0.533 58 19 no 0.565 0 6
1 16 ASP QB 66 no 100.0 91.4 0.935 1.023 0.088 17 6 no 0.387 0 0
1 17 ASP QB 63 no 100.0 98.1 5.017 5.113 0.095 17 5 no 0.409 0 0
1 18 ASP QB 72 no 100.0 99.8 1.046 1.048 0.002 15 0 no 0.103 0 0
1 19 LYS QB 27 no 100.0 91.4 5.701 6.238 0.537 25 4 yes 0.659 0 15
1 19 LYS QD 188 no 73.3 17.7 0.073 0.411 0.339 1 1 no 0.399 0 0
1 19 LYS QG 145 no 100.0 98.9 2.750 2.781 0.031 3 0 no 0.247 0 0
1 20 ILE QG 109 no 100.0 97.3 0.477 0.491 0.013 7 2 no 0.434 0 0
1 21 CYS QB 45 no 100.0 81.7 0.448 0.549 0.100 20 3 no 0.360 0 0
1 22 SER QB 54 no 100.0 96.0 0.435 0.453 0.018 18 0 no 0.144 0 0
1 23 ARG QB 71 no 100.0 66.9 1.789 2.673 0.883 16 7 yes 0.958 0 16
1 23 ARG QD 187 no 80.0 33.0 0.070 0.212 0.142 1 1 no 0.479 0 0
1 23 ARG QG 110 no 100.0 100.0 0.066 0.066 0.000 7 3 no 0.000 0 0
1 24 ASP QB 84 no 100.0 78.4 3.141 4.009 0.868 13 6 yes 0.722 0 15
1 25 SER QB 56 no 100.0 99.8 1.242 1.243 0.002 18 5 no 0.079 0 0
1 26 ILE QG 22 no 100.0 48.4 0.803 1.659 0.857 27 5 yes 0.786 0 17
1 27 ILE QG 81 no 100.0 98.3 2.645 2.691 0.046 13 0 no 0.259 0 0
1 28 ASP QB 108 no 80.0 96.3 1.290 1.340 0.050 7 2 no 0.612 0 1
1 29 LEU QB 20 no 100.0 85.9 2.425 2.822 0.397 28 5 yes 0.608 0 15
1 29 LEU QD 6 no 100.0 99.7 28.617 28.689 0.072 38 17 no 0.231 0 0
1 30 ILE QG 46 no 100.0 92.1 1.671 1.815 0.144 20 5 no 0.406 0 0
1 31 ASP QB 69 no 100.0 75.3 3.710 4.923 1.214 16 3 yes 1.185 15 15
1 32 GLU QB 128 no 100.0 99.2 1.699 1.713 0.014 5 3 no 0.155 0 0
1 32 GLU QG 38 no 100.0 25.0 13.975 55.809 41.834 22 7 no 0.546 0 2
1 33 TYR QB 32 no 100.0 87.0 4.174 4.800 0.626 24 9 yes 0.657 0 18
1 33 TYR QD 118 no 100.0 98.6 25.706 26.059 0.354 6 4 no 0.605 0 5
1 33 TYR QE 111 no 100.0 99.6 33.856 34.000 0.143 7 5 no 0.283 0 0
1 34 ILE QG 155 no 100.0 87.0 3.530 4.059 0.529 3 2 no 0.074 0 0
1 36 TRP QB 75 no 100.0 90.1 3.174 3.522 0.348 15 1 yes 0.735 0 12
1 37 ARG QB 137 no 53.3 32.3 0.183 0.567 0.384 4 1 no 0.399 0 0
1 37 ARG QG 132 no 100.0 98.7 1.678 1.701 0.023 4 0 no 0.420 0 0
1 38 ASN QB 165 no 100.0 100.0 0.153 0.153 0.000 2 0 no 0.000 0 0
1 38 ASN QD 107 no 93.3 100.0 0.343 0.343 0.000 7 2 no 0.021 0 0
1 39 HIS QB 119 no 86.7 90.0 0.929 1.032 0.103 5 0 no 0.574 0 1
1 40 VAL QG 9 no 100.0 98.0 20.506 20.927 0.421 34 5 yes 0.610 0 8
1 41 ILE QG 23 no 100.0 98.4 2.669 2.713 0.044 26 2 no 0.184 0 0
1 42 VAL QG 4 no 100.0 98.0 6.974 7.118 0.144 41 8 no 0.445 0 0
1 43 PHE QB 51 no 100.0 87.6 3.574 4.079 0.505 19 4 yes 1.087 1 7
1 43 PHE QD 154 no 100.0 99.6 9.394 9.430 0.036 3 2 no 0.142 0 0
1 43 PHE QE 153 no 100.0 99.8 24.246 24.291 0.046 3 2 no 0.445 0 0
1 44 ASN QB 18 no 100.0 66.4 0.854 1.286 0.432 29 15 no 0.295 0 0
1 44 ASN QD 41 no 100.0 93.9 4.127 4.395 0.268 21 15 no 0.181 0 0
1 45 LYS QB 48 no 100.0 98.3 1.882 1.914 0.032 20 8 no 0.139 0 0
1 45 LYS QD 186 no 80.0 25.3 0.115 0.455 0.340 1 1 no 0.499 0 0
1 45 LYS QG 36 no 100.0 82.9 2.756 3.326 0.570 23 11 yes 0.681 0 16
1 46 ASP QB 93 no 100.0 91.8 0.694 0.755 0.062 10 2 no 0.277 0 0
1 47 ILE QG 122 no 100.0 96.4 7.462 7.738 0.277 5 2 no 0.474 0 0
1 49 SER QB 74 no 100.0 94.1 0.318 0.337 0.020 15 1 no 0.158 0 0
1 50 CYS QB 62 no 100.0 81.5 0.831 1.020 0.189 17 5 no 0.387 0 0
1 51 GLY QA 73 no 100.0 95.9 0.009 0.010 0.000 15 1 no 0.167 0 0
1 52 ARG QB 65 no 100.0 93.8 1.191 1.269 0.078 17 6 no 0.256 0 0
1 52 ARG QD 175 no 93.3 68.1 0.303 0.445 0.142 2 2 no 0.479 0 0
1 52 ARG QG 79 no 100.0 85.7 1.014 1.184 0.170 14 4 no 0.479 0 0
1 53 LEU QB 16 no 100.0 25.4 0.223 0.878 0.655 30 9 no 0.454 0 0
1 53 LEU QD 8 no 100.0 92.9 23.404 25.201 1.798 35 21 yes 0.931 0 45
1 54 TYR QB 83 no 100.0 78.3 0.526 0.672 0.146 13 2 no 0.386 0 0
1 55 LYS QB 152 no 100.0 92.1 1.042 1.132 0.090 3 2 no 0.454 0 0
1 55 LYS QD 136 no 100.0 85.0 2.361 2.777 0.417 4 1 no 0.499 0 0
1 55 LYS QE 157 no 100.0 66.6 1.013 1.520 0.507 3 3 no 0.531 0 1
1 55 LYS QG 57 no 100.0 84.1 3.696 4.393 0.698 18 6 no 0.531 0 1
1 56 GLU QB 164 no 60.0 75.8 0.048 0.064 0.015 2 0 no 0.296 0 0
1 57 LEU QB 14 no 100.0 94.2 2.201 2.337 0.136 31 8 no 0.416 0 0
1 57 LEU QD 1 no 100.0 86.0 53.611 62.317 8.706 64 19 yes 0.622 0 15
1 58 MET QB 144 no 100.0 100.0 1.422 1.422 0.000 3 0 no 0.065 0 0
1 58 MET QG 24 no 100.0 66.0 1.015 1.537 0.523 26 4 yes 0.729 0 14
1 59 LYS QB 105 no 100.0 87.6 3.570 4.076 0.506 7 0 yes 0.891 0 15
1 59 LYS QD 181 no 100.0 96.6 2.641 2.735 0.094 1 0 no 0.373 0 0
1 59 LYS QE 87 no 66.7 30.9 0.169 0.547 0.378 12 7 yes 0.708 0 14
1 59 LYS QG 30 no 100.0 94.6 1.913 2.022 0.109 24 4 no 0.349 0 0
1 60 PHE QB 26 no 100.0 87.8 4.144 4.719 0.576 25 3 no 0.217 0 0
1 60 PHE QD 95 yes 100.0 100.0 42.508 42.518 0.009 10 5 no 0.171 0 0
1 60 PHE QE 151 yes 100.0 99.9 9.242 9.250 0.008 3 2 no 0.115 0 0
1 61 ASP QB 91 no 100.0 87.9 1.424 1.620 0.197 10 1 no 0.791 0 1
1 62 ASP QB 104 no 100.0 97.6 2.093 2.143 0.050 7 0 no 0.258 0 0
1 63 VAL QG 3 no 100.0 98.9 27.864 28.178 0.314 41 8 no 0.493 0 0
1 65 ILE QG 86 no 100.0 85.0 0.139 0.164 0.025 12 2 no 0.143 0 0
1 66 ARG QB 131 no 100.0 94.8 5.280 5.569 0.290 4 0 yes 0.636 0 8
1 67 TYR QB 17 yes 100.0 65.6 1.420 2.165 0.745 29 5 yes 1.115 12 15
1 67 TYR QD 112 yes 100.0 92.3 29.833 32.308 2.475 7 6 yes 0.747 0 30
1 67 TYR QE 174 yes 100.0 98.8 28.791 29.133 0.342 2 2 yes 0.643 0 11
1 68 TYR QB 127 no 100.0 100.0 0.797 0.797 0.000 5 3 no 0.000 0 0
1 68 TYR QD 150 yes 100.0 97.8 20.429 20.879 0.449 3 2 no 0.585 0 3
1 68 TYR QE 113 yes 100.0 99.7 58.717 58.907 0.191 6 0 no 0.457 0 0
1 69 GLY QA 44 no 100.0 96.8 2.816 2.910 0.093 20 3 no 0.265 0 0
1 70 ILE QG 52 no 100.0 98.2 0.367 0.374 0.007 19 5 no 0.065 0 0
1 71 ASP QB 61 no 100.0 77.5 1.169 1.509 0.340 17 5 yes 0.611 0 8
1 72 LYS QB 149 no 100.0 98.3 1.944 1.978 0.034 3 1 no 0.326 0 0
1 72 LYS QE 148 no 100.0 95.9 3.422 3.566 0.145 3 1 no 0.557 0 1
1 72 LYS QG 77 no 100.0 93.8 2.149 2.291 0.142 14 3 no 0.417 0 0
1 73 ILE QG 34 no 100.0 67.2 4.910 7.302 2.392 23 4 yes 0.952 0 15
1 74 ASN QB 67 no 100.0 96.9 4.762 4.915 0.153 17 9 no 0.276 0 0
1 74 ASN QD 7 no 100.0 89.5 2.095 2.342 0.247 36 15 no 0.475 0 0
1 75 GLU QB 163 no 100.0 98.3 2.636 2.683 0.046 2 0 no 0.333 0 0
1 75 GLU QG 162 no 100.0 95.3 2.132 2.237 0.105 2 0 no 0.475 0 0
1 76 ILE QG 171 no 100.0 94.9 2.034 2.143 0.109 2 1 no 0.490 0 0
1 77 VAL QG 5 no 100.0 97.6 20.570 21.077 0.507 40 2 yes 0.652 0 15
1 78 GLU QB 130 no 100.0 92.8 5.697 6.142 0.445 4 0 yes 0.724 0 15
1 78 GLU QG 82 no 100.0 84.7 0.818 0.966 0.148 13 1 no 0.416 0 0
1 80 MET QB 116 no 93.3 47.7 0.584 1.224 0.640 6 2 yes 0.932 0 14
1 80 MET QG 143 no 100.0 100.0 1.557 1.557 0.000 3 0 no 0.000 0 0
1 82 GLU QB 135 no 100.0 96.5 5.968 6.181 0.214 4 1 no 0.756 0 3
1 83 GLY QA 85 no 100.0 99.7 0.063 0.063 0.000 12 0 no 0.040 0 0
1 85 HIS QB 147 no 86.7 98.8 2.163 2.189 0.026 3 1 no 0.269 0 0
1 86 TYR QB 161 no 53.3 2.6 0.016 0.623 0.607 2 0 yes 1.207 2 12
1 86 TYR QD 126 no 100.0 98.2 46.900 47.776 0.876 5 3 yes 0.890 0 14
1 86 TYR QE 160 no 100.0 87.5 20.622 23.562 2.940 2 0 yes 1.549 17 30
1 87 ILE QG 180 no 46.7 100.0 0.162 0.162 0.000 1 0 no 0.027 0 0
1 89 PHE QB 185 no 73.3 62.7 0.533 0.851 0.317 1 1 no 0.000 0 0
1 89 PHE QD 184 no 73.3 69.0 0.587 0.851 0.264 1 1 yes 1.104 11 11
1 91 LYS QB 98 no 100.0 99.4 3.066 3.084 0.018 8 1 no 0.193 0 0
1 92 VAL QG 138 no 60.0 86.8 0.232 0.267 0.035 4 2 no 0.339 0 0
1 94 ASP QB 170 no 100.0 65.6 0.690 1.052 0.362 2 1 no 0.862 0 1
1 95 GLN QB 33 no 93.3 38.7 0.861 2.228 1.367 24 15 no 0.372 0 0
1 95 GLN QE 37 no 100.0 82.8 10.064 12.160 2.095 23 12 yes 0.874 0 15
1 95 GLN QG 169 no 100.0 96.3 2.975 3.090 0.115 2 1 no 0.562 0 3
1 96 GLU QB 78 no 100.0 53.2 16.527 31.056 14.530 14 4 no 0.167 0 0
1 96 GLU QG 125 no 100.0 56.3 18.825 33.429 14.604 5 3 yes 0.691 0 11
1 97 SER QB 121 no 60.0 43.4 0.210 0.485 0.274 5 1 yes 0.728 0 13
1 98 LEU QB 39 no 86.7 83.7 0.224 0.268 0.044 21 5 no 0.501 0 1
1 98 LEU QD 168 no 93.3 99.5 2.059 2.071 0.011 2 1 no 0.305 0 0
1 99 PHE QB 60 no 80.0 9.8 0.022 0.227 0.205 17 5 no 0.493 0 0
1 99 PHE QD 124 no 100.0 99.7 21.320 21.375 0.055 5 3 no 0.501 0 1
1 99 PHE QE 89 no 100.0 90.0 26.838 29.820 2.982 11 7 yes 0.822 0 33
1 103 GLY QA 19 no 100.0 93.3 0.774 0.829 0.055 28 0 no 0.225 0 0
1 104 ILE QG 115 no 100.0 64.3 13.540 21.044 7.504 6 2 no 0.452 0 0
1 105 CYS QB 55 no 40.0 22.7 0.178 0.784 0.606 18 1 yes 0.932 0 9
1 107 LYS QB 179 no 40.0 100.0 0.009 0.009 0.000 1 0 no 0.006 0 0
1 108 ILE QG 97 no 100.0 100.0 0.075 0.075 0.000 8 0 no 0.000 0 0
1 110 GLU QB 183 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 110 GLU QG 99 no 100.0 88.0 2.642 3.003 0.361 8 2 no 0.399 0 0
1 111 HIS QB 35 no 100.0 99.3 0.194 0.196 0.001 23 6 no 0.076 0 0
1 112 TRP QB 70 no 100.0 59.5 0.100 0.168 0.068 16 4 no 0.389 0 0
1 113 GLY QA 25 no 100.0 85.4 1.364 1.597 0.233 26 7 no 0.514 0 1
1 114 TYR QB 120 no 100.0 98.7 0.433 0.439 0.006 5 1 no 0.140 0 0
1 114 TYR QD 178 no 100.0 100.0 0.073 0.073 0.000 1 0 no 0.396 0 0
1 114 TYR QE 159 no 80.0 28.8 0.760 2.640 1.880 2 0 yes 2.465 5 18
1 115 LYS QB 88 no 100.0 66.9 0.426 0.636 0.210 11 5 no 0.406 0 0
1 115 LYS QG 101 no 93.3 56.7 0.280 0.494 0.214 8 3 no 0.581 0 2
1 116 LYS QB 123 no 100.0 80.7 0.389 0.481 0.093 5 3 no 0.334 0 0
1 116 LYS QG 182 no 86.7 49.9 0.119 0.238 0.119 1 1 no 0.581 0 2
1 117 ILE QG 50 no 100.0 99.5 0.994 0.998 0.005 19 3 no 0.103 0 0
1 118 SER QB 142 no 93.3 64.7 0.510 0.787 0.277 3 0 no 0.962 0 5
1 120 SER QB 177 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 126 GLY QA 103 no 26.7 43.4 0.002 0.004 0.002 7 0 no 0.128 0 0
1 131 LEU QB 140 no 33.3 100.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 131 LEU QD 76 no 100.0 96.8 9.580 9.892 0.313 15 2 no 0.604 0 6
1 132 MET QB 96 no 100.0 77.6 2.954 3.804 0.851 9 1 yes 0.836 0 21
1 132 MET QG 176 no 80.0 100.0 0.026 0.026 0.000 1 0 no 0.000 0 0
1 134 ASP QB 156 no 93.3 39.9 0.062 0.155 0.093 3 3 no 0.791 0 1
1 135 ASP QB 49 no 100.0 99.0 1.871 1.891 0.020 20 9 no 0.234 0 0
1 136 ASN QB 11 no 100.0 81.0 4.835 5.971 1.135 33 13 yes 0.802 0 30
1 136 ASN QD 92 no 100.0 90.2 1.386 1.537 0.151 10 2 no 0.463 0 0
1 137 ILE QG 106 no 53.3 26.3 0.015 0.057 0.042 7 1 no 0.327 0 0
1 138 ASN QB 47 no 100.0 63.6 3.750 5.899 2.148 20 8 yes 1.188 14 20
1 138 ASN QD 68 no 100.0 94.5 3.420 3.619 0.200 17 10 no 0.210 0 0
1 139 ILE QG 146 no 66.7 0.2 0.000 0.031 0.031 3 1 no 0.167 0 0
1 140 LEU QB 53 no 100.0 66.0 0.400 0.606 0.206 19 6 no 0.312 0 0
1 140 LEU QD 10 no 100.0 91.1 47.143 51.763 4.620 33 13 no 0.507 0 1
1 141 ILE QG 59 no 100.0 83.6 0.691 0.827 0.136 17 4 no 0.282 0 0
1 142 LEU QB 12 no 100.0 77.5 1.172 1.512 0.340 32 5 no 0.459 0 0
1 142 LEU QD 40 no 100.0 91.3 29.410 32.199 2.790 21 6 yes 1.364 15 41
1 143 PHE QB 21 no 100.0 55.9 1.847 3.302 1.455 27 3 yes 0.701 0 14
1 143 PHE QD 167 yes 100.0 100.0 22.066 22.066 0.000 2 1 no 0.033 0 0
1 144 LEU QB 28 no 100.0 98.6 5.342 5.418 0.076 25 10 no 0.270 0 0
1 144 LEU QD 29 no 100.0 72.6 34.077 46.967 12.891 25 12 no 0.431 0 0
1 145 GLU QB 31 no 100.0 84.9 6.646 7.832 1.186 24 7 yes 1.237 1 16
1 145 GLU QG 64 no 100.0 90.8 6.359 7.001 0.643 17 6 no 0.809 0 1
1 146 LYS QB 166 no 100.0 97.3 1.643 1.688 0.045 2 1 no 0.410 0 0
1 146 LYS QG 94 no 100.0 72.6 1.511 2.080 0.569 10 3 yes 0.878 0 12
1 147 LYS QB 158 no 100.0 94.5 2.216 2.345 0.128 2 0 no 0.358 0 0
1 147 LYS QD 134 no 100.0 95.8 6.169 6.442 0.272 4 1 no 0.632 0 6
1 147 LYS QE 80 no 100.0 81.6 1.888 2.315 0.427 14 5 yes 0.723 0 9
1 147 LYS QG 100 no 100.0 98.3 7.614 7.749 0.135 8 3 no 0.267 0 0
1 148 LEU QB 129 no 100.0 97.8 8.014 8.193 0.179 4 0 no 0.497 0 0
1 148 LEU QD 15 no 100.0 97.8 30.240 30.918 0.678 30 4 yes 0.637 0 12
1 149 ASN QB 173 no 100.0 54.1 0.132 0.244 0.112 2 2 no 0.301 0 0
1 149 ASN QD 141 no 100.0 95.4 0.343 0.360 0.017 3 0 no 0.275 0 0
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