NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483440 |
1xdx   |
4929 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1xdx
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 216
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 2
_Stereo_assign_list.Deassign_percentage 0.9
_Stereo_assign_list.Model_count 15
_Stereo_assign_list.Total_e_low_states 2.089
_Stereo_assign_list.Total_e_high_states 14.233
_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 2 GLU QG 164 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.001 0 0
1 4 VAL QG 208 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 PRO QD 168 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 8 VAL QG 18 no 100.0 0.0 0.000 0.000 0.000 22 12 no 0.000 0 0
1 9 GLU QB 92 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 9 GLU QG 91 no 53.3 99.9 0.043 0.043 0.000 8 4 no 0.018 0 0
1 10 GLU QB 130 no 26.7 100.0 0.000 0.000 0.000 5 0 no 0.000 0 0
1 10 GLU QG 76 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 17 ASP QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 18 VAL QG 68 no 100.0 0.0 0.000 0.001 0.001 10 6 no 0.084 0 0
1 19 SER QB 163 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 ASN QB 162 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 23 LYS QB 90 no 100.0 0.0 0.000 0.008 0.008 8 4 no 0.157 0 0
1 23 LYS QD 58 no 100.0 0.0 0.000 0.024 0.024 12 4 no 0.304 0 0
1 23 LYS QE 72 no 100.0 0.0 0.000 0.006 0.006 10 8 no 0.157 0 0
1 23 LYS QG 34 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 24 GLU QB 114 no 66.7 56.2 0.013 0.024 0.010 6 0 no 0.122 0 0
1 24 GLU QG 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 25 SER QB 161 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 27 ASP QB 75 no 93.3 27.7 0.007 0.025 0.018 8 0 no 0.222 0 0
1 29 VAL QG 4 no 100.0 58.2 0.006 0.011 0.004 38 12 no 0.105 0 0
1 30 LEU QB 170 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 30 LEU QD 12 no 100.0 0.0 0.000 0.004 0.004 24 4 no 0.105 0 0
1 31 GLN QB 82 no 100.0 22.1 0.008 0.037 0.029 8 2 no 0.174 0 0
1 31 GLN QG 120 no 100.0 0.0 0.000 0.032 0.032 6 2 no 0.174 0 0
1 32 ASN QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 ASN QD 205 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.083 0 0
1 33 GLN QG 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 GLN QB 119 no 100.0 100.0 0.028 0.028 0.000 6 2 no 0.000 0 0
1 34 GLN QE 203 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
1 34 GLN QG 118 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 35 TYR QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 SER QB 20 no 100.0 0.0 0.000 0.000 0.000 20 16 no 0.010 0 0
1 37 GLU QB 160 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 37 GLU QG 26 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
1 39 LYS QB 33 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
1 39 LYS QD 57 no 100.0 0.0 0.000 0.007 0.007 12 4 no 0.119 0 0
1 39 LYS QE 32 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.004 0 0
1 39 LYS QG 25 no 100.0 0.0 0.000 0.005 0.005 16 4 no 0.110 0 0
1 40 VAL QG 56 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 41 SER QB 159 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.022 0 0
1 42 GLN QB 42 no 93.3 98.9 0.106 0.107 0.001 14 4 no 0.077 0 0
1 42 GLN QE 126 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 42 GLN QG 112 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.074 0 0
1 45 SER QB 81 no 100.0 0.0 0.000 0.002 0.002 8 2 no 0.086 0 0
1 46 SER QB 89 no 100.0 0.0 0.000 0.004 0.004 8 4 no 0.153 0 0
1 47 CYS QB 55 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
1 48 LEU QB 64 no 46.7 33.8 0.043 0.128 0.085 10 1 no 0.851 0 2
1 48 LEU QD 2 no 100.0 99.2 5.793 5.841 0.047 48 15 no 0.416 0 0
1 49 GLU QB 158 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.029 0 0
1 49 GLU QG 14 no 93.3 0.0 0.000 0.026 0.026 24 12 no 0.181 0 0
1 50 HIS QB 80 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.053 0 0
1 51 CYS QB 36 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.014 0 0
1 53 LYS QB 88 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.106 0 0
1 53 LYS QD 54 no 100.0 0.0 0.000 0.008 0.008 12 4 no 0.130 0 0
1 53 LYS QE 46 no 0.0 0.0 0.000 0.644 0.644 14 8 yes 1.942 3 7
1 53 LYS QG 53 no 100.0 0.0 0.000 0.012 0.012 12 4 no 0.153 0 0
1 54 ARG QB 111 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 54 ARG QD 62 no 93.3 0.0 0.000 0.004 0.004 10 0 no 0.092 0 0
1 54 ARG QG 61 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 55 LEU QB 157 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 55 LEU QD 8 no 93.3 67.3 0.002 0.003 0.001 29 6 no 0.125 0 0
1 58 LEU QB 129 no 100.0 92.3 0.009 0.010 0.001 5 0 no 0.152 0 0
1 58 LEU QD 110 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 59 ASN QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.050 0 0
1 59 ASN QD 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 61 PRO QB 109 no 100.0 0.0 0.000 0.015 0.015 6 0 no 0.174 0 0
1 63 LYS QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 64 TYR QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 65 VAL QG 22 no 6.7 100.0 0.000 0.000 0.000 19 4 no 0.000 0 0
1 66 VAL QG 40 no 100.0 0.0 0.000 0.002 0.002 16 12 no 0.158 0 0
1 68 CYS QB 45 no 100.0 0.0 0.000 0.011 0.011 14 8 no 0.320 0 0
1 71 MET QB 199 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 MET QG 154 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.039 0 0
1 72 GLN QB 216 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 72 GLN QG 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 LYS QB 197 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 73 LYS QE 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.023 0 0
1 74 ASN QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 78 LEU QD 108 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 83 SER QB 94 no 100.0 0.0 0.000 0.002 0.002 8 8 no 0.160 0 0
1 84 CYS QB 195 no 100.0 0.0 0.000 0.016 0.016 2 0 no 0.164 0 0
1 85 TRP QB 194 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 87 ASP QB 215 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.029 0 0
1 88 SER QB 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 93 SER QB 152 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 94 ARG QB 107 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.040 0 0
1 94 ARG QD 106 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.062 0 0
1 96 VAL QG 6 no 100.0 0.0 0.000 0.000 0.000 30 20 no 0.000 0 0
1 97 ARG QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 ARG QD 105 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 98 TRP QB 125 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 99 GLU QB 134 no 46.7 83.4 0.004 0.005 0.001 5 1 no 0.071 0 0
1 99 GLU QG 133 no 60.0 91.5 0.008 0.009 0.001 5 1 no 0.071 0 0
1 100 ASN QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 LYS QB 124 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.025 0 0
1 101 LYS QD 66 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.090 0 0
1 101 LYS QE 39 no 100.0 0.0 0.000 0.001 0.001 16 12 no 0.115 0 0
1 101 LYS QG 167 no 100.0 0.0 0.000 0.001 0.001 4 4 no 0.115 0 0
1 102 SER QB 71 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.065 0 0
1 103 MET QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 MET QG 151 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
1 107 CYS QB 31 no 100.0 0.0 0.000 0.004 0.004 16 8 no 0.189 0 0
1 109 VAL QG 16 no 100.0 0.0 0.000 0.000 0.000 24 20 no 0.055 0 0
1 110 PHE QB 150 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 111 GLY QA 214 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 112 LEU QB 213 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 112 LEU QD 11 no 100.0 0.0 0.000 0.000 0.000 24 4 no 0.000 0 0
2 2 GLU QG 149 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
2 4 VAL QG 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 6 PRO QD 166 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
2 8 VAL QG 17 no 100.0 0.0 0.000 0.000 0.000 22 12 no 0.000 0 0
2 9 GLU QB 87 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
2 9 GLU QG 86 no 53.3 100.0 0.043 0.043 0.000 8 4 no 0.017 0 0
2 10 GLU QB 128 no 26.7 100.0 0.000 0.000 0.000 5 0 no 0.000 0 0
2 10 GLU QG 74 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
2 17 ASP QB 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 18 VAL QG 67 no 100.0 0.0 0.000 0.001 0.001 10 6 no 0.084 0 0
2 19 SER QB 148 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 20 ASN QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 23 LYS QB 85 no 100.0 0.0 0.000 0.008 0.008 8 4 no 0.157 0 0
2 23 LYS QD 52 no 100.0 0.0 0.000 0.024 0.024 12 4 no 0.305 0 0
2 23 LYS QE 70 no 0.0 0.0 0.000 0.006 0.006 10 8 no 0.157 0 0
2 23 LYS QG 30 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
2 24 GLU QB 104 no 66.7 55.9 0.013 0.024 0.010 6 0 no 0.124 0 0
2 24 GLU QG 103 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 25 SER QB 146 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 27 ASP QB 73 no 93.3 27.7 0.007 0.025 0.018 8 0 no 0.222 0 0
2 29 VAL QG 3 no 100.0 58.2 0.006 0.011 0.004 38 12 no 0.105 0 0
2 30 LEU QB 169 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 30 LEU QD 10 no 100.0 0.0 0.000 0.004 0.004 24 4 no 0.105 0 0
2 31 GLN QB 79 no 100.0 22.2 0.008 0.037 0.029 8 2 no 0.174 0 0
2 31 GLN QG 117 no 0.0 0.0 0.000 0.032 0.032 6 2 no 0.174 0 0
2 32 ASN QB 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 32 ASN QD 186 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.081 0 0
2 33 GLN QG 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 34 GLN QB 116 no 100.0 100.0 0.028 0.028 0.000 6 2 no 0.000 0 0
2 34 GLN QE 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.007 0 0
2 34 GLN QG 115 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
2 35 TYR QB 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 36 SER QB 19 no 100.0 0.0 0.000 0.000 0.000 20 16 no 0.010 0 0
2 37 GLU QB 145 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 37 GLU QG 24 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.000 0 0
2 39 LYS QB 29 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.000 0 0
2 39 LYS QD 51 no 0.0 0.0 0.000 0.007 0.007 12 4 no 0.120 0 0
2 39 LYS QE 28 no 100.0 0.0 0.000 0.000 0.000 16 8 no 0.003 0 0
2 39 LYS QG 23 no 100.0 0.0 0.000 0.006 0.006 16 4 no 0.110 0 0
2 40 VAL QG 50 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
2 41 SER QB 144 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.021 0 0
2 42 GLN QB 41 no 93.3 99.0 0.106 0.107 0.001 14 4 no 0.077 0 0
2 42 GLN QE 123 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 42 GLN QG 102 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.075 0 0
2 45 SER QB 78 no 100.0 0.0 0.000 0.002 0.002 8 2 no 0.084 0 0
2 46 SER QB 84 no 100.0 0.0 0.000 0.004 0.004 8 4 no 0.152 0 0
2 47 CYS QB 49 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.000 0 0
2 48 LEU QB 63 no 46.7 33.7 0.043 0.128 0.085 10 1 no 0.849 0 2
2 48 LEU QD 1 no 100.0 99.2 5.795 5.842 0.048 48 15 no 0.417 0 0
2 49 GLU QB 143 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.029 0 0
2 49 GLU QG 13 no 20.0 0.0 0.000 0.026 0.026 24 12 no 0.181 0 0
2 50 HIS QB 77 no 100.0 0.0 0.000 0.001 0.001 8 2 no 0.053 0 0
2 51 CYS QB 35 no 100.0 0.0 0.000 0.000 0.000 16 10 no 0.015 0 0
2 53 LYS QB 83 no 100.0 0.0 0.000 0.002 0.002 8 4 no 0.104 0 0
2 53 LYS QD 48 no 100.0 0.0 0.000 0.008 0.008 12 4 no 0.129 0 0
2 53 LYS QE 44 no 86.7 0.0 0.000 0.644 0.644 14 8 yes 1.942 3 7
2 53 LYS QG 47 no 100.0 0.0 0.000 0.012 0.012 12 4 no 0.152 0 0
2 54 ARG QB 101 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 54 ARG QD 60 no 0.0 0.0 0.000 0.004 0.004 10 0 no 0.093 0 0
2 54 ARG QG 59 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
2 55 LEU QB 142 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 55 LEU QD 7 no 93.3 67.6 0.002 0.003 0.001 29 6 no 0.126 0 0
2 58 LEU QB 127 no 100.0 92.4 0.009 0.010 0.001 5 0 no 0.150 0 0
2 58 LEU QD 100 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 59 ASN QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.051 0 0
2 59 ASN QD 140 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.021 0 0
2 61 PRO QB 99 no 100.0 0.0 0.000 0.015 0.015 6 0 no 0.174 0 0
2 63 LYS QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 64 TYR QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 65 VAL QG 21 no 6.7 100.0 0.000 0.000 0.000 19 4 no 0.000 0 0
2 66 VAL QG 38 no 100.0 0.0 0.000 0.002 0.002 16 12 no 0.160 0 0
2 68 CYS QB 43 no 100.0 0.0 0.000 0.011 0.011 14 8 no 0.319 0 0
2 71 MET QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 71 MET QG 139 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.040 0 0
2 72 GLN QB 212 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 72 GLN QG 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 73 LYS QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 73 LYS QE 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.025 0 0
2 74 ASN QB 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 78 LEU QD 98 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 83 SER QB 93 no 100.0 0.0 0.000 0.002 0.002 8 8 no 0.158 0 0
2 84 CYS QB 176 no 0.0 0.0 0.000 0.016 0.016 2 0 no 0.165 0 0
2 85 TRP QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 87 ASP QB 211 no 100.0 100.0 0.000 0.000 0.000 1 0 no 0.029 0 0
2 88 SER QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 93 SER QB 137 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 94 ARG QB 97 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.040 0 0
2 94 ARG QD 96 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.063 0 0
2 96 VAL QG 5 no 100.0 0.0 0.000 0.000 0.000 30 20 no 0.000 0 0
2 97 ARG QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 97 ARG QD 95 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 98 TRP QB 122 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
2 99 GLU QB 132 no 46.7 83.4 0.004 0.005 0.001 5 1 no 0.071 0 0
2 99 GLU QG 131 no 60.0 91.5 0.008 0.009 0.001 5 1 no 0.071 0 0
2 100 ASN QB 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 101 LYS QB 121 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.025 0 0
2 101 LYS QD 65 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.091 0 0
2 101 LYS QE 37 no 0.0 0.0 0.000 0.001 0.001 16 12 no 0.116 0 0
2 101 LYS QG 165 no 100.0 0.0 0.000 0.001 0.001 4 4 no 0.116 0 0
2 102 SER QB 69 no 100.0 0.0 0.000 0.000 0.000 10 8 no 0.065 0 0
2 103 MET QB 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 103 MET QG 136 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.042 0 0
2 107 CYS QB 27 no 100.0 0.0 0.000 0.004 0.004 16 8 no 0.190 0 0
2 109 VAL QG 15 no 100.0 0.0 0.000 0.000 0.000 24 20 no 0.055 0 0
2 110 PHE QB 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 111 GLY QA 210 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 112 LEU QB 209 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 112 LEU QD 9 no 100.0 0.0 0.000 0.000 0.000 24 4 no 0.000 0 0
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