NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
623426 |
5noc   |
34122 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_5noc
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 188
_Stereo_assign_list.Swap_count 28
_Stereo_assign_list.Swap_percentage 14.9
_Stereo_assign_list.Deassign_count 29
_Stereo_assign_list.Deassign_percentage 15.4
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 19.884
_Stereo_assign_list.Total_e_high_states 259.167
_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 17 LYS QB 124 no 85.0 79.5 0.427 0.536 0.110 12 3 no 0.863 0 3
1 18 ASP QB 128 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
1 20 VAL QG 66 no 100.0 99.3 6.360 6.405 0.045 22 11 no 0.838 0 1
1 21 LEU QB 80 no 100.0 97.1 2.174 2.239 0.065 19 9 no 0.599 0 4
1 21 LEU QD 30 no 100.0 55.9 1.941 3.473 1.531 33 18 yes 1.819 4 12
1 22 LYS QB 182 no 100.0 100.0 0.000 0.000 0.000 3 1 no 0.057 0 0
1 23 GLU QG 126 no 35.0 50.1 0.066 0.131 0.065 12 5 no 0.599 0 4
1 24 ARG QB 172 no 100.0 100.0 0.011 0.011 0.000 4 0 no 0.285 0 0
1 24 ARG QD 60 no 90.0 80.3 1.285 1.601 0.316 23 11 no 0.848 0 3
1 24 ARG QG 164 no 100.0 100.0 0.000 0.000 0.000 7 2 no 0.087 0 0
1 24 ARG QH1 166 no 100.0 100.0 0.000 0.000 0.000 6 5 no 0.038 0 0
1 25 GLU QB 38 no 100.0 100.0 0.756 0.756 0.000 30 10 no 0.000 0 0
1 25 GLU QG 28 no 100.0 99.4 2.611 2.626 0.015 33 14 no 0.282 0 0
1 26 SER QB 156 no 100.0 0.0 0.000 0.000 0.000 8 5 no 0.000 0 0
1 27 TYR QB 65 no 100.0 0.0 0.000 0.000 0.000 22 11 no 0.000 0 0
1 27 TYR QD 123 no 100.0 100.0 1.504 1.504 0.000 12 3 no 0.000 0 0
1 27 TYR QE 58 no 100.0 98.1 3.569 3.639 0.070 23 10 no 0.469 0 0
1 28 LEU QB 100 no 100.0 100.0 0.568 0.568 0.000 16 10 no 0.000 0 0
1 28 LEU QD 12 no 100.0 100.0 8.145 8.145 0.000 45 33 no 0.000 0 0
1 29 GLN QB 32 no 100.0 100.0 1.162 1.162 0.000 32 15 no 0.000 0 0
1 29 GLN QE 8 no 45.0 36.0 0.010 0.027 0.018 49 27 no 0.395 0 0
1 29 GLN QG 10 yes 100.0 100.0 0.156 0.156 0.000 45 22 no 0.000 0 0
1 30 ASN QB 72 yes 100.0 100.0 0.500 0.500 0.000 21 10 no 0.000 0 0
1 30 ASN QD 79 no 100.0 0.0 0.000 0.000 0.000 19 9 no 0.000 0 0
1 31 TYR QB 114 no 100.0 100.0 0.011 0.011 0.000 14 8 no 0.469 0 0
1 31 TYR QD 62 no 100.0 100.0 6.295 6.295 0.000 23 12 no 0.098 0 0
1 31 TYR QE 86 no 100.0 99.9 3.591 3.595 0.004 18 9 no 0.164 0 0
1 32 PHE QB 50 no 95.0 96.1 1.541 1.603 0.062 26 11 no 0.587 0 2
1 32 PHE QD 90 no 100.0 100.0 4.113 4.113 0.000 17 7 no 0.000 0 0
1 32 PHE QE 46 no 100.0 99.8 10.069 10.094 0.024 28 20 no 0.669 0 1
1 33 GLY QA 168 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 36 VAL QG 4 no 100.0 99.7 9.915 9.940 0.025 64 38 no 0.372 0 0
1 37 ASN QB 136 no 100.0 100.0 0.000 0.000 0.000 11 6 no 0.055 0 0
1 37 ASN QD 6 yes 95.0 75.3 0.163 0.217 0.054 61 36 no 0.750 0 2
1 38 ILE QG 84 no 90.0 36.2 0.031 0.087 0.055 19 10 no 0.436 0 0
1 39 LYS QB 94 no 100.0 100.0 0.206 0.206 0.000 17 10 no 0.000 0 0
1 39 LYS QD 98 no 10.0 100.0 0.012 0.012 0.000 16 7 no 0.009 0 0
1 39 LYS QE 102 no 40.0 50.8 0.426 0.839 0.413 16 11 yes 1.290 5 9
1 39 LYS QG 132 yes 75.0 32.7 0.122 0.373 0.251 11 4 no 0.603 0 4
1 40 ARG QB 42 no 100.0 45.6 0.219 0.480 0.261 28 18 no 0.000 0 0
1 40 ARG QD 52 yes 90.0 55.7 0.785 1.410 0.625 26 17 yes 1.093 1 4
1 40 ARG QG 186 no 55.0 100.0 0.223 0.223 0.000 1 0 no 0.000 0 0
1 41 GLN QB 130 yes 100.0 100.0 0.508 0.508 0.000 12 8 no 0.000 0 0
1 41 GLN QE 44 no 20.0 95.6 0.070 0.073 0.003 28 19 no 0.279 0 0
1 41 GLN QG 170 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 42 LYS QB 140 no 75.0 9.2 0.049 0.533 0.484 10 2 yes 1.483 4 6
1 43 LYS QB 180 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 43 LYS QG 179 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 44 LYS QB 54 yes 95.0 96.7 0.178 0.184 0.006 25 14 no 0.279 0 0
1 44 LYS QD 188 no 10.0 99.3 0.162 0.163 0.001 1 1 no 0.155 0 0
1 44 LYS QG 162 no 45.0 26.7 0.019 0.073 0.053 7 1 yes 1.017 1 1
1 45 GLY QA 96 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.000 0 0
1 46 LYS QB 34 no 100.0 0.0 0.000 0.000 0.000 31 16 no 0.000 0 0
1 46 LYS QD 146 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0
1 46 LYS QE 178 yes 100.0 100.0 0.140 0.140 0.000 3 0 no 0.000 0 0
1 46 LYS QG 150 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 47 ILE QG 88 no 100.0 94.0 4.478 4.763 0.285 18 10 no 0.712 0 3
1 48 GLU QB 36 no 100.0 0.0 0.000 0.000 0.000 31 23 no 0.000 0 0
1 48 GLU QG 40 yes 100.0 78.1 2.284 2.925 0.641 29 19 yes 1.694 6 10
1 49 ILE QG 24 yes 100.0 78.7 1.015 1.291 0.275 35 19 no 0.230 0 0
1 50 GLU QB 68 no 100.0 66.2 0.038 0.058 0.019 22 16 no 0.090 0 0
1 50 GLU QG 22 no 95.0 99.5 0.192 0.192 0.001 36 21 no 0.211 0 0
1 51 PHE QB 48 no 95.0 86.3 0.148 0.172 0.023 27 10 no 0.684 0 1
1 51 PHE QD 26 no 65.0 85.4 0.054 0.063 0.009 35 28 no 0.367 0 0
1 51 PHE QE 16 no 25.0 45.4 0.169 0.371 0.203 41 33 no 0.665 0 9
1 52 PHE QB 108 no 100.0 0.0 0.000 0.000 0.000 15 8 no 0.000 0 0
1 52 PHE QD 110 no 90.0 99.3 3.703 3.728 0.025 15 12 no 0.669 0 1
1 54 ASN QB 155 no 100.0 0.0 0.000 0.000 0.000 8 5 no 0.000 0 0
1 54 ASN QD 112 no 100.0 0.0 0.000 0.000 0.000 14 7 no 0.000 0 0
1 55 GLU QB 161 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
1 55 GLU QG 145 no 100.0 100.0 0.000 0.000 0.000 9 2 no 0.000 0 0
1 56 ASP QB 76 yes 100.0 90.7 1.614 1.780 0.166 19 1 yes 1.103 1 6
1 57 LEU QB 93 no 35.0 100.0 0.000 0.000 0.000 17 10 no 0.000 0 0
1 57 LEU QD 2 no 100.0 92.7 7.847 8.465 0.619 82 38 yes 1.074 4 14
1 58 ASP QB 134 no 5.0 100.0 0.003 0.003 0.000 11 5 no 0.000 0 0
1 59 ARG QB 106 no 100.0 0.0 0.000 0.000 0.000 15 7 no 0.000 0 0
1 59 ARG QD 74 no 25.0 99.6 0.030 0.030 0.000 20 10 no 0.052 0 0
1 59 ARG QG 104 no 80.0 69.9 0.040 0.058 0.017 15 5 no 0.445 0 0
1 60 ILE QG 152 yes 95.0 99.0 0.267 0.269 0.003 8 3 no 0.230 0 0
1 61 LEU QB 70 yes 100.0 100.0 0.335 0.335 0.000 21 8 no 0.000 0 0
1 61 LEU QD 20 no 100.0 99.8 13.079 13.109 0.030 37 13 no 0.253 0 0
1 62 GLU QG 120 no 100.0 0.0 0.000 0.000 0.000 13 7 no 0.000 0 0
1 63 LEU QB 57 no 100.0 92.5 3.091 3.340 0.249 23 10 yes 1.038 1 8
1 63 LEU QD 14 no 100.0 83.1 2.815 3.388 0.573 43 23 yes 1.083 1 18
1 64 LEU QB 83 no 100.0 95.0 0.191 0.201 0.010 19 10 no 0.370 0 0
1 64 LEU QD 18 no 100.0 99.9 4.034 4.038 0.004 40 24 no 0.266 0 0
1 65 SER QB 138 no 50.0 7.0 0.049 0.698 0.649 11 7 yes 1.562 5 12
1 66 GLU QB 118 no 100.0 43.9 0.261 0.594 0.333 13 6 no 0.163 0 0
1 66 GLU QG 116 no 100.0 100.0 0.000 0.000 0.000 14 12 no 0.050 0 0
1 67 ARG QB 142 yes 95.0 59.0 0.584 0.989 0.405 9 1 yes 1.239 3 7
1 67 ARG QD 177 no 25.0 27.1 0.130 0.481 0.351 3 0 yes 2.419 2 5
1 67 ARG QG 184 no 100.0 100.0 1.516 1.516 0.000 2 0 no 0.054 0 0
1 68 GLU QB 160 no 90.0 87.6 1.351 1.542 0.191 7 1 yes 1.373 2 2
1 68 GLU QG 148 no 60.0 42.8 0.227 0.531 0.304 9 6 no 0.962 0 7
2 17 LYS QB 122 no 85.0 79.6 0.427 0.537 0.109 12 3 no 0.860 0 3
2 18 ASP QB 127 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.000 0 0
2 20 VAL QG 64 no 100.0 99.3 6.358 6.404 0.045 22 11 no 0.838 0 1
2 21 LEU QB 78 no 100.0 97.2 2.175 2.238 0.063 19 9 no 0.593 0 4
2 21 LEU QD 29 no 100.0 55.9 1.945 3.481 1.536 33 18 yes 1.820 4 12
2 22 LYS QB 181 no 100.0 100.0 0.000 0.000 0.000 3 1 no 0.051 0 0
2 23 GLU QG 125 no 35.0 51.7 0.068 0.131 0.063 12 5 no 0.593 0 4
2 24 ARG QB 171 no 100.0 100.0 0.011 0.011 0.000 4 0 no 0.288 0 0
2 24 ARG QD 59 no 95.0 80.2 1.277 1.593 0.315 23 11 no 0.816 0 4
2 24 ARG QG 163 no 100.0 100.0 0.000 0.000 0.000 7 2 no 0.091 0 0
2 24 ARG QH1 165 no 100.0 100.0 0.000 0.000 0.000 6 5 no 0.045 0 0
2 25 GLU QB 37 no 100.0 100.0 0.758 0.758 0.000 30 10 no 0.000 0 0
2 25 GLU QG 27 no 100.0 99.4 2.610 2.625 0.015 33 14 no 0.285 0 0
2 26 SER QB 154 no 100.0 0.0 0.000 0.000 0.000 8 5 no 0.000 0 0
2 27 TYR QB 63 no 100.0 0.0 0.000 0.000 0.000 22 11 no 0.000 0 0
2 27 TYR QD 121 no 100.0 100.0 1.503 1.503 0.000 12 3 no 0.000 0 0
2 27 TYR QE 56 no 100.0 98.1 3.569 3.639 0.070 23 10 no 0.471 0 0
2 28 LEU QB 99 no 100.0 100.0 0.570 0.570 0.000 16 10 no 0.000 0 0
2 28 LEU QD 11 no 100.0 100.0 8.169 8.169 0.000 45 33 no 0.000 0 0
2 29 GLN QB 31 no 100.0 100.0 1.164 1.164 0.000 32 15 no 0.000 0 0
2 29 GLN QE 7 no 45.0 36.8 0.010 0.028 0.018 49 27 no 0.399 0 0
2 29 GLN QG 9 yes 100.0 100.0 0.156 0.156 0.000 45 22 no 0.000 0 0
2 30 ASN QB 71 yes 100.0 100.0 0.500 0.500 0.000 21 10 no 0.000 0 0
2 30 ASN QD 77 no 100.0 0.0 0.000 0.000 0.000 19 9 no 0.000 0 0
2 31 TYR QB 113 no 100.0 100.0 0.012 0.012 0.000 14 8 no 0.471 0 0
2 31 TYR QD 61 no 100.0 100.0 6.274 6.274 0.000 23 12 no 0.095 0 0
2 31 TYR QE 85 no 100.0 99.9 3.591 3.595 0.004 18 9 no 0.166 0 0
2 32 PHE QB 49 no 95.0 96.1 1.542 1.605 0.062 26 11 no 0.587 0 2
2 32 PHE QD 89 no 100.0 100.0 4.116 4.116 0.000 17 7 no 0.000 0 0
2 32 PHE QE 45 no 100.0 99.8 10.060 10.084 0.024 28 20 no 0.670 0 1
2 33 GLY QA 167 no 100.0 0.0 0.000 0.000 0.000 5 0 no 0.000 0 0
2 36 VAL QG 3 no 100.0 99.7 9.906 9.931 0.025 64 38 no 0.370 0 0
2 37 ASN QB 135 no 100.0 100.0 0.000 0.000 0.000 11 6 no 0.054 0 0
2 37 ASN QD 5 yes 95.0 74.8 0.162 0.216 0.054 61 36 no 0.758 0 2
2 38 ILE QG 82 no 90.0 35.7 0.032 0.090 0.058 19 10 no 0.445 0 0
2 39 LYS QB 92 no 100.0 100.0 0.206 0.206 0.000 17 10 no 0.000 0 0
2 39 LYS QD 97 no 10.0 100.0 0.013 0.013 0.000 16 7 no 0.011 0 0
2 39 LYS QE 101 no 40.0 50.4 0.421 0.835 0.414 16 11 yes 1.283 5 9
2 39 LYS QG 131 yes 75.0 32.5 0.121 0.372 0.251 11 4 no 0.601 0 4
2 40 ARG QB 41 no 100.0 45.5 0.219 0.481 0.262 28 18 no 0.000 0 0
2 40 ARG QD 51 yes 90.0 55.4 0.780 1.408 0.628 26 17 yes 1.094 1 4
2 40 ARG QG 185 no 55.0 100.0 0.223 0.223 0.000 1 0 no 0.000 0 0
2 41 GLN QB 129 yes 100.0 100.0 0.514 0.514 0.000 12 8 no 0.000 0 0
2 41 GLN QE 43 no 20.0 95.3 0.069 0.073 0.003 28 19 no 0.272 0 0
2 41 GLN QG 169 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
2 42 LYS QB 139 no 75.0 9.1 0.048 0.531 0.483 10 2 yes 1.482 4 6
2 43 LYS QB 176 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 43 LYS QG 175 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 44 LYS QB 53 yes 95.0 96.8 0.178 0.184 0.006 25 14 no 0.272 0 0
2 44 LYS QD 187 no 10.0 99.1 0.164 0.166 0.002 1 1 no 0.175 0 0
2 44 LYS QG 159 no 45.0 25.9 0.019 0.072 0.053 7 1 yes 1.020 1 1
2 45 GLY QA 95 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.000 0 0
2 46 LYS QB 33 no 100.0 0.0 0.000 0.000 0.000 31 16 no 0.000 0 0
2 46 LYS QD 144 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0
2 46 LYS QE 174 yes 100.0 100.0 0.140 0.140 0.000 3 0 no 0.000 0 0
2 46 LYS QG 149 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
2 47 ILE QG 87 no 100.0 94.1 4.493 4.774 0.281 18 10 no 0.683 0 12
2 48 GLU QB 35 no 100.0 0.0 0.000 0.000 0.000 31 23 no 0.000 0 0
2 48 GLU QG 39 yes 100.0 78.2 2.291 2.930 0.639 29 19 yes 1.685 6 10
2 49 ILE QG 23 yes 100.0 78.7 1.015 1.291 0.275 35 19 no 0.231 0 0
2 50 GLU QB 67 no 100.0 66.2 0.038 0.058 0.020 22 16 no 0.088 0 0
2 50 GLU QG 21 no 95.0 99.5 0.192 0.193 0.001 36 21 no 0.212 0 0
2 51 PHE QB 47 no 95.0 86.3 0.148 0.172 0.024 27 10 no 0.686 0 1
2 51 PHE QD 25 no 65.0 86.0 0.054 0.063 0.009 35 28 no 0.362 0 0
2 51 PHE QE 15 no 25.0 44.9 0.167 0.372 0.205 41 33 yes 0.644 0 10
2 52 PHE QB 107 no 100.0 0.0 0.000 0.000 0.000 15 8 no 0.000 0 0
2 52 PHE QD 109 no 90.0 99.3 3.711 3.736 0.025 15 12 no 0.670 0 1
2 54 ASN QB 153 no 100.0 0.0 0.000 0.000 0.000 8 5 no 0.000 0 0
2 54 ASN QD 111 no 100.0 0.0 0.000 0.000 0.000 14 7 no 0.000 0 0
2 55 GLU QB 158 no 100.0 0.0 0.000 0.000 0.000 7 1 no 0.000 0 0
2 55 GLU QG 143 no 100.0 0.0 0.000 0.000 0.000 9 2 no 0.000 0 0
2 56 ASP QB 75 yes 100.0 90.8 1.606 1.767 0.162 19 1 yes 1.103 1 5
2 57 LEU QB 91 no 40.0 100.0 0.000 0.000 0.000 17 10 no 0.000 0 0
2 57 LEU QD 1 no 100.0 92.7 7.833 8.447 0.615 82 38 yes 1.052 4 14
2 58 ASP QB 133 no 5.0 100.0 0.003 0.003 0.000 11 5 no 0.000 0 0
2 59 ARG QB 105 no 100.0 0.0 0.000 0.000 0.000 15 7 no 0.000 0 0
2 59 ARG QD 73 no 25.0 99.6 0.030 0.030 0.000 20 10 no 0.052 0 0
2 59 ARG QG 103 no 80.0 67.9 0.038 0.056 0.018 15 5 no 0.436 0 0
2 60 ILE QG 151 yes 95.0 99.0 0.266 0.269 0.003 8 3 no 0.231 0 0
2 61 LEU QB 69 yes 100.0 100.0 0.333 0.333 0.000 21 8 no 0.000 0 0
2 61 LEU QD 19 no 100.0 99.8 13.100 13.130 0.030 37 13 no 0.254 0 0
2 62 GLU QG 119 no 100.0 0.0 0.000 0.000 0.000 13 7 no 0.000 0 0
2 63 LEU QB 55 no 100.0 92.5 3.094 3.344 0.250 23 10 yes 1.041 1 8
2 63 LEU QD 13 no 100.0 83.0 2.817 3.392 0.575 43 23 yes 1.081 1 19
2 64 LEU QB 81 no 100.0 95.0 0.192 0.202 0.010 19 10 no 0.372 0 0
2 64 LEU QD 17 no 100.0 99.9 4.035 4.038 0.003 40 24 no 0.251 0 0
2 65 SER QB 137 no 50.0 7.3 0.051 0.698 0.647 11 7 yes 1.562 5 12
2 66 GLU QB 117 no 100.0 44.3 0.262 0.592 0.330 13 6 no 0.166 0 0
2 66 GLU QG 115 no 100.0 100.0 0.000 0.000 0.000 14 12 no 0.048 0 0
2 67 ARG QB 141 yes 95.0 59.0 0.585 0.991 0.406 9 1 yes 1.246 3 7
2 67 ARG QD 173 no 25.0 27.1 0.131 0.482 0.351 3 0 yes 2.423 2 5
2 67 ARG QG 183 no 100.0 100.0 1.510 1.510 0.000 2 0 no 0.056 0 0
2 68 GLU QB 157 no 90.0 87.7 1.351 1.541 0.190 7 1 yes 1.369 2 2
2 68 GLU QG 147 no 60.0 42.0 0.222 0.528 0.306 9 6 no 0.960 0 7
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