NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
417354 |
2dmm   |
11102 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2dmm
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 180
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 0
_Stereo_assign_list.Deassign_percentage 0.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 0.072
_Stereo_assign_list.Total_e_high_states 543.751
_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 11 ASN QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 12 LEU QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 12 LEU QD 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.039 0 0
1 13 LYS QG 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.091 0 0
1 14 ARG QB 97 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 14 ARG QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 15 TYR QB 54 no 100.0 100.0 1.879 1.879 0.000 13 1 no 0.041 0 0
1 16 LEU QB 110 no 100.0 100.0 0.773 0.773 0.000 7 2 no 0.061 0 0
1 16 LEU QD 80 no 100.0 0.0 0.000 0.001 0.001 10 2 no 0.087 0 0
1 17 LYS QB 180 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.041 0 0
1 17 LYS QE 122 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.069 0 0
1 17 LYS QG 96 no 100.0 0.0 0.000 0.002 0.002 8 0 no 0.144 0 0
1 18 SER QB 50 no 100.0 0.0 0.000 0.001 0.001 14 4 no 0.048 0 0
1 19 GLU QB 72 no 100.0 100.0 1.547 1.547 0.000 11 5 no 0.026 0 0
1 19 GLU QG 28 no 100.0 99.9 0.849 0.850 0.001 18 8 no 0.114 0 0
1 20 PRO QB 158 no 100.0 100.0 0.335 0.335 0.000 3 0 no 0.005 0 0
1 20 PRO QD 73 no 100.0 100.0 1.489 1.489 0.000 11 7 no 0.055 0 0
1 21 ILE QG 65 no 100.0 99.9 0.683 0.683 0.001 12 5 no 0.065 0 0
1 22 PRO QB 132 no 100.0 100.0 1.251 1.251 0.000 6 2 no 0.019 0 0
1 22 PRO QD 22 no 100.0 99.8 2.167 2.171 0.004 20 9 no 0.094 0 0
1 23 GLU QB 148 no 100.0 100.0 0.188 0.188 0.000 4 0 no 0.011 0 0
1 23 GLU QG 95 no 100.0 100.0 0.576 0.576 0.000 8 0 no 0.000 0 0
1 24 SER QB 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.013 0 0
1 25 ASN QB 156 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 25 ASN QD 18 no 100.0 0.0 0.000 0.000 0.000 24 12 no 0.021 0 0
1 26 ASP QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 GLY QA 105 no 100.0 0.0 0.000 0.000 0.000 8 8 no 0.000 0 0
1 28 PRO QB 94 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.009 0 0
1 28 PRO QD 83 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.016 0 0
1 28 PRO QG 84 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.024 0 0
1 29 VAL QG 5 no 100.0 100.0 44.992 44.992 0.000 45 10 no 0.042 0 0
1 30 LYS QB 33 no 100.0 99.7 2.348 2.355 0.007 16 3 no 0.099 0 0
1 30 LYS QD 120 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 30 LYS QE 119 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.013 0 0
1 31 VAL QG 14 no 100.0 100.0 14.173 14.173 0.000 29 11 no 0.043 0 0
1 32 VAL QG 4 no 100.0 100.0 49.985 49.986 0.000 45 9 no 0.046 0 0
1 33 VAL QG 2 no 100.0 100.0 48.919 48.919 0.000 50 20 no 0.045 0 0
1 35 GLU QB 58 no 100.0 100.0 0.432 0.432 0.000 13 3 no 0.015 0 0
1 35 GLU QG 27 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.061 0 0
1 36 ASN QB 118 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.018 0 0
1 36 ASN QD 23 no 0.0 0.0 0.000 0.000 0.000 20 10 no 0.028 0 0
1 37 PHE QB 57 no 100.0 100.0 1.049 1.049 0.000 13 3 no 0.048 0 0
1 39 GLU QB 37 no 100.0 100.0 4.309 4.309 0.000 16 4 no 0.014 0 0
1 39 GLU QG 101 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 40 ILE QG 19 no 100.0 100.0 2.251 2.251 0.000 21 8 no 0.002 0 0
1 41 VAL QG 3 no 100.0 100.0 30.598 30.598 0.000 47 9 no 0.014 0 0
1 42 ASN QB 68 no 100.0 100.0 1.690 1.690 0.000 11 2 no 0.025 0 0
1 42 ASN QD 154 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 43 ASN QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 ASN QD 155 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 44 GLU QG 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.021 0 0
1 45 ASN QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 LYS QB 77 no 100.0 100.0 3.110 3.110 0.000 10 1 no 0.040 0 0
1 46 LYS QE 134 no 100.0 0.0 0.000 0.000 0.000 6 6 no 0.006 0 0
1 46 LYS QG 85 no 100.0 0.0 0.000 0.000 0.000 10 10 no 0.006 0 0
1 47 ASP QB 63 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.096 0 0
1 48 VAL QG 12 no 100.0 100.0 28.048 28.048 0.000 30 5 no 0.039 0 0
1 49 LEU QB 13 no 100.0 100.0 1.016 1.016 0.000 29 11 no 0.000 0 0
1 49 LEU QD 9 no 100.0 100.0 23.648 23.648 0.000 38 12 no 0.003 0 0
1 50 ILE QG 20 no 100.0 100.0 2.678 2.678 0.000 20 4 no 0.006 0 0
1 51 GLU QB 62 no 100.0 0.0 0.000 0.001 0.001 12 2 no 0.133 0 0
1 51 GLU QG 81 no 100.0 100.0 1.303 1.303 0.001 10 3 no 0.096 0 0
1 52 PHE QB 38 no 100.0 100.0 0.676 0.676 0.000 16 5 no 0.019 0 0
1 53 TYR QB 93 no 100.0 100.0 2.175 2.175 0.000 8 0 no 0.016 0 0
1 55 PRO QB 106 no 100.0 100.0 2.539 2.539 0.000 7 1 no 0.006 0 0
1 55 PRO QD 76 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 55 PRO QG 43 no 100.0 100.0 3.518 3.518 0.000 15 1 no 0.012 0 0
1 56 TRP QB 86 no 100.0 100.0 1.771 1.771 0.000 9 2 no 0.000 0 0
1 57 CYS QB 75 no 100.0 0.0 0.000 0.006 0.006 10 0 no 0.178 0 0
1 58 GLY QA 79 no 100.0 100.0 2.973 2.973 0.000 10 2 no 0.034 0 0
1 59 HIS QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 60 CYS QB 117 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.037 0 0
1 61 LYS QG 153 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.034 0 0
1 62 ASN QB 78 no 100.0 100.0 2.185 2.185 0.000 10 2 no 0.004 0 0
1 62 ASN QD 178 no 100.0 100.0 1.670 1.670 0.000 2 1 no 0.004 0 0
1 63 LEU QB 59 no 100.0 100.0 0.975 0.975 0.000 13 6 no 0.027 0 0
1 63 LEU QD 6 no 100.0 100.0 26.546 26.547 0.000 45 12 no 0.041 0 0
1 64 GLU QB 109 no 100.0 100.0 0.755 0.755 0.000 7 2 no 0.006 0 0
1 64 GLU QG 70 no 100.0 100.0 4.274 4.275 0.001 11 3 no 0.087 0 0
1 65 PRO QB 157 no 100.0 100.0 0.765 0.765 0.000 3 0 no 0.027 0 0
1 65 PRO QD 71 no 100.0 100.0 1.570 1.570 0.000 11 4 no 0.000 0 0
1 65 PRO QG 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 LYS QB 51 no 100.0 100.0 1.098 1.098 0.000 14 5 no 0.001 0 0
1 66 LYS QG 116 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.042 0 0
1 67 TYR QB 17 no 100.0 100.0 3.961 3.962 0.001 25 11 no 0.082 0 0
1 68 LYS QB 115 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.029 0 0
1 68 LYS QD 136 no 100.0 100.0 0.581 0.581 0.000 5 0 no 0.020 0 0
1 68 LYS QG 49 no 100.0 100.0 0.618 0.618 0.000 14 4 no 0.071 0 0
1 69 GLU QB 41 no 100.0 100.0 5.376 5.376 0.000 16 6 no 0.023 0 0
1 69 GLU QG 92 no 0.0 0.0 0.000 0.004 0.004 8 0 no 0.158 0 0
1 70 LEU QB 40 no 100.0 100.0 2.450 2.450 0.000 16 6 no 0.020 0 0
1 70 LEU QD 1 no 100.0 100.0 26.198 26.198 0.000 51 20 no 0.037 0 0
1 72 GLU QB 124 no 100.0 100.0 1.197 1.197 0.000 6 1 no 0.026 0 0
1 72 GLU QG 44 no 100.0 100.0 3.235 3.235 0.000 15 2 no 0.011 0 0
1 73 LYS QB 56 no 100.0 100.0 0.502 0.502 0.000 13 3 no 0.017 0 0
1 73 LYS QG 30 no 100.0 100.0 1.261 1.261 0.000 17 6 no 0.001 0 0
1 74 LEU QB 131 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 74 LEU QD 36 no 100.0 100.0 4.575 4.575 0.000 16 4 no 0.021 0 0
1 75 SER QB 172 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.119 0 0
1 76 LYS QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 76 LYS QG 171 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.156 0 0
1 77 ASP QB 48 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.046 0 0
1 78 PRO QD 52 no 100.0 100.0 1.401 1.401 0.000 14 6 no 0.027 0 0
1 78 PRO QG 108 no 100.0 100.0 1.041 1.041 0.000 7 2 no 0.037 0 0
1 79 ASN QB 130 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.033 0 0
1 79 ASN QD 104 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.002 0 0
1 80 ILE QG 35 no 100.0 100.0 2.070 2.070 0.000 16 4 no 0.033 0 0
1 81 VAL QG 15 no 100.0 100.0 44.765 44.765 0.000 25 5 no 0.008 0 0
1 82 ILE QG 69 no 100.0 100.0 3.044 3.044 0.000 11 3 no 0.000 0 0
1 84 LYS QB 53 no 100.0 100.0 0.419 0.419 0.000 13 1 no 0.002 0 0
1 84 LYS QD 179 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.042 0 0
1 84 LYS QE 103 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.006 0 0
1 84 LYS QG 129 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 85 MET QB 128 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.011 0 0
1 85 MET QG 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 86 ASP QB 133 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 90 ASN QD 21 no 100.0 0.0 0.000 0.000 0.000 20 8 no 0.002 0 0
1 91 ASP QB 16 no 100.0 100.0 2.791 2.792 0.000 25 7 no 0.041 0 0
1 92 VAL QG 11 no 100.0 100.0 25.568 25.568 0.000 35 10 no 0.005 0 0
1 93 PRO QB 135 no 100.0 100.0 0.353 0.353 0.000 5 0 no 0.015 0 0
1 93 PRO QD 82 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.008 0 0
1 93 PRO QG 127 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 94 SER QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 PRO QB 159 no 15.0 100.0 0.031 0.031 0.000 3 1 no 0.012 0 0
1 95 PRO QD 143 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 95 PRO QG 87 no 100.0 100.0 0.739 0.739 0.000 9 5 no 0.000 0 0
1 96 TYR QB 67 no 100.0 100.0 1.280 1.280 0.000 11 2 no 0.014 0 0
1 97 GLU QG 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 98 VAL QG 10 no 100.0 100.0 16.461 16.461 0.000 36 5 no 0.024 0 0
1 99 ARG QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 ARG QD 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.012 0 0
1 100 GLY QA 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.051 0 0
1 101 PHE QB 113 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.117 0 0
1 102 PRO QB 126 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.005 0 0
1 104 ILE QG 45 no 100.0 99.9 1.737 1.738 0.001 15 5 no 0.133 0 0
1 105 TYR QB 42 no 100.0 100.0 2.540 2.540 0.000 15 1 no 0.017 0 0
1 106 PHE QB 25 no 100.0 99.9 1.598 1.600 0.002 18 5 no 0.144 0 0
1 107 SER QB 102 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.035 0 0
1 108 PRO QB 39 no 100.0 99.6 2.883 2.895 0.012 16 6 no 0.145 0 0
1 108 PRO QD 24 no 100.0 99.9 1.626 1.628 0.002 19 8 no 0.112 0 0
1 110 ASN QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 110 ASN QD 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 111 LYS QB 31 no 100.0 100.0 3.956 3.957 0.000 17 8 no 0.067 0 0
1 111 LYS QD 152 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 111 LYS QG 100 no 100.0 99.3 0.772 0.778 0.006 8 2 no 0.124 0 0
1 112 LYS QE 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.018 0 0
1 112 LYS QG 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.072 0 0
1 113 LEU QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 114 ASN QB 151 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.012 0 0
1 114 ASN QD 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.052 0 0
1 115 PRO QB 98 no 100.0 100.0 3.193 3.194 0.000 8 1 no 0.023 0 0
1 115 PRO QD 64 no 95.0 99.9 0.275 0.275 0.000 12 4 no 0.056 0 0
1 115 PRO QG 107 no 100.0 100.0 0.744 0.744 0.000 7 2 no 0.016 0 0
1 116 LYS QB 125 no 0.0 0.0 0.000 0.000 0.000 6 2 no 0.013 0 0
1 116 LYS QG 99 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.072 0 0
1 117 LYS QB 112 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.005 0 0
1 118 TYR QB 55 no 100.0 100.0 1.212 1.212 0.000 13 3 no 0.024 0 0
1 119 GLU QG 91 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.005 0 0
1 120 GLY QA 111 no 100.0 100.0 0.660 0.660 0.000 6 0 no 0.010 0 0
1 122 ARG QB 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.015 0 0
1 122 ARG QG 90 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.028 0 0
1 123 GLU QB 66 no 100.0 100.0 2.070 2.070 0.000 11 0 no 0.000 0 0
1 123 GLU QG 89 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.001 0 0
1 124 LEU QB 26 no 100.0 100.0 2.257 2.257 0.000 18 6 no 0.010 0 0
1 124 LEU QD 7 no 100.0 100.0 17.506 17.506 0.000 41 15 no 0.008 0 0
1 125 SER QB 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 126 ASP QB 88 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 127 PHE QB 46 no 100.0 100.0 0.977 0.977 0.000 15 8 no 0.038 0 0
1 128 ILE QG 29 no 100.0 100.0 4.745 4.746 0.001 17 3 no 0.099 0 0
1 130 TYR QB 32 no 100.0 99.8 0.552 0.553 0.001 16 1 no 0.097 0 0
1 131 LEU QB 34 no 100.0 100.0 2.340 2.340 0.000 16 4 no 0.003 0 0
1 131 LEU QD 8 no 100.0 100.0 12.972 12.972 0.000 39 14 no 0.017 0 0
1 132 GLN QB 61 no 100.0 100.0 2.055 2.055 0.000 12 0 no 0.000 0 0
1 132 GLN QE 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 132 GLN QG 60 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.002 0 0
1 133 ARG QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 133 ARG QG 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 134 GLU QB 47 no 100.0 100.0 1.315 1.315 0.000 14 1 no 0.000 0 0
1 134 GLU QG 74 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.001 0 0
1 138 GLY QA 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
stop_
save_
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