NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576611 |
2mf2   |
17288 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2mf2
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 244
_Stereo_assign_list.Swap_count 0
_Stereo_assign_list.Swap_percentage 0.0
_Stereo_assign_list.Deassign_count 6
_Stereo_assign_list.Deassign_percentage 2.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 10.515
_Stereo_assign_list.Total_e_high_states 106.865
_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 GLN QB 231 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.081 0 0
1 14 ILE QG 244 no 75.0 100.0 0.066 0.066 0.000 1 0 no 0.000 0 0
1 15 ARG QD 149 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.089 0 0
1 15 ARG QG 230 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.225 0 0
1 16 ARG QB 229 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.029 0 0
1 18 ASP QB 228 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.121 0 0
1 19 VAL QG 2 no 50.0 0.0 0.000 0.271 0.271 24 6 no 0.355 0 0
1 20 TYR QB 227 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.030 0 0
1 21 LEU QB 11 no 100.0 98.4 2.388 2.427 0.039 15 6 no 0.210 0 0
1 21 LEU QD 17 no 95.0 0.0 0.000 0.060 0.060 14 10 no 0.427 0 0
1 23 ASP QB 226 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 24 LEU QB 148 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.101 0 0
1 24 LEU QD 32 no 15.0 0.0 0.000 0.060 0.060 12 4 no 0.316 0 0
1 27 VAL QG 7 no 80.0 0.0 0.000 0.039 0.039 18 6 no 0.203 0 0
1 28 GLN QB 94 no 100.0 0.0 0.000 0.017 0.017 6 4 no 0.225 0 0
1 28 GLN QE 44 no 0.0 0.0 0.000 0.042 0.042 10 8 no 0.266 0 0
1 28 GLN QG 23 no 100.0 99.8 4.266 4.276 0.010 13 6 no 0.195 0 0
1 30 SER QB 147 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.081 0 0
1 32 GLN QB 90 no 100.0 0.0 0.000 0.003 0.003 6 2 no 0.197 0 0
1 32 GLN QE 29 no 100.0 97.8 0.689 0.704 0.016 12 2 no 0.197 0 0
1 32 GLN QG 66 no 100.0 0.0 0.000 0.005 0.005 8 4 no 0.130 0 0
1 33 GLY QA 156 no 95.0 0.0 0.000 0.024 0.024 4 4 no 0.203 0 0
1 35 VAL QG 146 no 100.0 0.0 0.000 0.054 0.054 4 0 no 0.256 0 0
1 36 ARG QB 145 no 100.0 99.8 1.367 1.369 0.002 4 0 no 0.069 0 0
1 36 ARG QG 225 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.045 0 0
1 37 PRO QB 13 no 100.0 99.8 1.826 1.831 0.005 15 7 no 0.119 0 0
1 37 PRO QD 224 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 37 PRO QG 68 no 100.0 99.4 0.498 0.501 0.003 8 6 no 0.078 0 0
1 38 VAL QG 52 no 0.0 0.0 0.000 0.050 0.050 8 0 no 0.226 0 0
1 39 VAL QG 86 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.090 0 0
1 40 ILE QG 144 no 100.0 99.5 0.408 0.410 0.002 4 0 no 0.064 0 0
1 41 ILE QG 243 no 10.0 97.8 0.011 0.011 0.000 1 0 no 0.043 0 0
1 42 GLN QB 143 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.208 0 0
1 42 GLN QE 4 no 100.0 98.2 5.750 5.854 0.104 24 9 no 0.350 0 0
1 43 ASN QB 152 no 100.0 0.0 0.000 0.016 0.016 4 2 no 0.184 0 0
1 43 ASN QD 142 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.106 0 0
1 44 ASP QB 141 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.067 0 0
1 46 GLY QA 92 no 100.0 100.0 1.461 1.462 0.001 6 3 no 0.071 0 0
1 47 ASN QB 140 no 0.0 0.0 0.000 0.001 0.001 4 0 no 0.077 0 0
1 47 ASN QD 139 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.116 0 0
1 48 LYS QB 138 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.051 0 0
1 48 LYS QD 223 no 0.0 0.0 0.000 0.014 0.014 2 0 no 0.314 0 0
1 49 TYR QB 222 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 50 SER QB 221 no 100.0 100.0 0.249 0.249 0.000 2 0 no 0.039 0 0
1 53 VAL QG 36 no 95.0 0.0 0.000 0.027 0.027 12 6 no 0.204 0 0
1 55 VAL QG 46 no 100.0 100.0 5.658 5.659 0.001 9 0 no 0.071 0 0
1 61 ARG QG 220 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.124 0 0
1 68 PRO QB 95 no 100.0 99.8 0.381 0.382 0.001 5 0 no 0.088 0 0
1 68 PRO QG 137 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.091 0 0
1 70 HIS QB 136 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.083 0 0
1 71 VAL QG 42 no 95.0 0.0 0.000 0.006 0.006 10 4 no 0.142 0 0
1 72 GLU QB 135 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 73 ILE QG 134 no 90.0 95.2 0.203 0.214 0.010 4 0 no 0.269 0 0
1 74 GLU QG 133 no 0.0 0.0 0.000 0.011 0.011 4 0 no 0.197 0 0
1 75 LYS QB 219 no 0.0 0.0 0.000 0.015 0.015 2 0 no 0.207 0 0
1 75 LYS QD 85 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.163 0 0
1 76 LYS QB 132 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.116 0 0
1 76 LYS QD 218 no 0.0 0.0 0.000 0.004 0.004 2 0 no 0.170 0 0
1 77 LYS QB 217 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.070 0 0
1 78 TYR QB 84 no 100.0 0.0 0.000 0.018 0.018 6 0 no 0.202 0 0
1 80 LEU QB 22 no 100.0 99.5 0.933 0.937 0.004 13 6 no 0.139 0 0
1 80 LEU QD 15 no 75.0 0.0 0.000 0.075 0.075 14 4 no 0.292 0 0
1 81 ASP QB 236 no 100.0 0.0 0.000 0.001 0.001 2 2 no 0.130 0 0
1 82 LYS QB 131 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.115 0 0
1 82 LYS QG 216 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.089 0 0
1 84 SER QB 130 no 100.0 0.0 0.000 0.006 0.006 4 0 no 0.144 0 0
1 85 VAL QG 83 no 100.0 0.0 0.000 0.007 0.007 6 0 no 0.197 0 0
1 87 LEU QB 235 no 100.0 0.0 0.000 0.001 0.001 2 2 no 0.067 0 0
1 87 LEU QD 56 no 100.0 0.0 0.000 0.003 0.003 8 2 no 0.125 0 0
1 88 LEU QD 9 no 100.0 99.7 5.445 5.461 0.016 15 2 no 0.153 0 0
1 89 GLU QB 129 no 0.0 0.0 0.000 0.012 0.012 4 0 no 0.158 0 0
1 90 GLN QB 35 no 100.0 97.6 3.826 3.919 0.093 12 6 no 0.790 0 1
1 90 GLN QE 38 no 100.0 86.7 0.638 0.736 0.098 10 2 no 0.790 0 1
1 90 GLN QG 215 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 ILE QG 214 no 95.0 98.5 0.103 0.105 0.002 2 0 no 0.155 0 0
1 92 ARG QB 155 no 100.0 0.0 0.000 0.002 0.002 4 4 no 0.157 0 0
1 92 ARG QG 82 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.140 0 0
1 94 LEU QB 70 no 100.0 99.4 2.545 2.559 0.014 7 2 no 0.144 0 0
1 94 LEU QD 41 no 90.0 0.0 0.000 0.016 0.016 10 4 no 0.191 0 0
1 95 ASP QB 213 no 100.0 0.0 0.000 0.005 0.005 2 0 no 0.256 0 0
1 96 LYS QB 128 no 100.0 98.6 0.618 0.627 0.009 4 0 no 0.163 0 0
1 96 LYS QD 212 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 LYS QB 211 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 LYS QD 210 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.017 0 0
1 98 ARG QD 209 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.061 0 0
1 99 LEU QB 81 no 0.0 0.0 0.000 0.003 0.003 6 0 no 0.092 0 0
1 99 LEU QD 127 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.117 0 0
1 100 LYS QB 126 no 100.0 0.0 0.000 0.013 0.013 4 0 no 0.162 0 0
1 100 LYS QG 208 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.153 0 0
1 101 GLU QB 207 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 101 GLU QG 89 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.039 0 0
1 103 LEU QB 19 no 100.0 96.1 1.770 1.842 0.073 13 5 no 0.309 0 0
1 103 LEU QD 48 no 100.0 99.4 3.255 3.275 0.020 9 6 no 0.323 0 0
1 106 LEU QB 206 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.052 0 0
1 106 LEU QD 80 no 100.0 0.0 0.000 0.012 0.012 6 0 no 0.198 0 0
1 107 SER QB 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 109 ASP QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.041 0 0
1 110 LYS QB 203 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.048 0 0
1 110 LYS QE 242 no 60.0 99.3 0.123 0.124 0.001 1 0 no 0.128 0 0
1 111 MET QB 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 111 MET QG 125 no 100.0 0.0 0.000 0.017 0.017 4 0 no 0.148 0 0
1 112 LYS QB 65 no 90.0 0.0 0.000 0.081 0.081 8 4 no 0.250 0 0
1 112 LYS QE 241 no 100.0 63.5 2.211 3.482 1.271 1 0 yes 3.857 2 2
1 112 LYS QG 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.086 0 0
1 113 GLU QB 64 no 5.0 0.0 0.000 0.007 0.007 8 4 no 0.142 0 0
1 113 GLU QG 200 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.194 0 0
1 114 VAL QG 25 no 100.0 0.0 0.000 0.405 0.405 12 0 yes 1.360 4 4
1 115 ASP QB 51 no 5.0 0.0 0.000 0.012 0.012 8 0 no 0.204 0 0
1 116 ASN QB 199 no 100.0 0.0 0.000 0.011 0.011 2 0 no 0.287 0 0
1 116 ASN QD 31 no 100.0 0.0 0.000 0.397 0.397 12 4 yes 1.233 5 5
1 118 LEU QB 55 no 100.0 0.0 0.000 0.004 0.004 8 2 no 0.188 0 0
1 118 LEU QD 79 no 10.0 0.0 0.000 0.035 0.035 6 0 no 0.217 0 0
1 119 MET QB 124 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.099 0 0
1 119 MET QG 63 no 100.0 0.0 0.000 0.021 0.021 8 4 no 0.282 0 0
1 120 ILE QG 234 no 50.0 99.2 0.307 0.310 0.003 2 2 no 0.127 0 0
1 121 SER QB 123 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 123 GLY QA 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 124 LEU QD 62 no 0.0 0.0 0.000 0.034 0.034 8 4 no 0.209 0 0
1 125 ASN QB 197 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.259 0 0
1 125 ASN QD 28 no 0.0 0.0 0.000 0.036 0.036 12 2 no 0.320 0 0
1 131 LYS QB 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.020 0 0
1 132 ASN QD 195 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.208 0 0
2 11 GLN QB 194 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.093 0 0
2 14 ILE QG 240 no 70.0 100.0 0.057 0.057 0.000 1 0 no 0.000 0 0
2 15 ARG QD 122 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.090 0 0
2 15 ARG QG 193 no 0.0 0.0 0.000 0.004 0.004 2 0 no 0.240 0 0
2 16 ARG QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
2 18 ASP QB 191 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.123 0 0
2 19 VAL QG 1 no 5.0 0.0 0.000 0.273 0.273 24 6 no 0.349 0 0
2 20 TYR QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.032 0 0
2 21 LEU QB 10 no 100.0 98.5 2.500 2.538 0.039 15 6 no 0.211 0 0
2 21 LEU QD 16 no 5.0 0.0 0.000 0.052 0.052 14 10 no 0.434 0 0
2 23 ASP QB 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 24 LEU QB 121 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.185 0 0
2 24 LEU QD 30 no 95.0 0.0 0.000 0.083 0.083 12 4 no 0.710 0 1
2 27 VAL QG 6 no 65.0 0.0 0.000 0.038 0.038 18 6 no 0.197 0 0
2 28 GLN QB 93 no 100.0 0.0 0.000 0.015 0.015 6 4 no 0.213 0 0
2 28 GLN QE 43 no 95.0 0.0 0.000 0.040 0.040 10 8 no 0.286 0 0
2 28 GLN QG 21 no 100.0 99.8 4.427 4.437 0.010 13 6 no 0.197 0 0
2 30 SER QB 120 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.072 0 0
2 32 GLN QB 88 no 100.0 0.0 0.000 0.006 0.006 6 2 no 0.294 0 0
2 32 GLN QE 27 no 100.0 97.8 0.655 0.670 0.015 12 2 no 0.294 0 0
2 32 GLN QG 61 no 100.0 0.0 0.000 0.007 0.007 8 4 no 0.140 0 0
2 33 GLY QA 154 no 100.0 0.0 0.000 0.022 0.022 4 4 no 0.197 0 0
2 35 VAL QG 119 no 0.0 0.0 0.000 0.053 0.053 4 0 no 0.250 0 0
2 36 ARG QB 118 no 100.0 99.8 1.335 1.337 0.002 4 0 no 0.071 0 0
2 36 ARG QG 188 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.041 0 0
2 37 PRO QB 12 no 100.0 99.8 1.911 1.915 0.004 15 7 no 0.123 0 0
2 37 PRO QD 187 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 37 PRO QG 67 no 100.0 99.4 0.471 0.474 0.003 8 6 no 0.075 0 0
2 38 VAL QG 50 no 90.0 0.0 0.000 0.051 0.051 8 0 no 0.228 0 0
2 39 VAL QG 78 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.093 0 0
2 40 ILE QG 117 no 100.0 99.6 0.408 0.410 0.002 4 0 no 0.063 0 0
2 41 ILE QG 239 no 10.0 97.9 0.012 0.012 0.000 1 0 no 0.046 0 0
2 42 GLN QB 116 no 100.0 0.0 0.000 0.007 0.007 4 0 no 0.202 0 0
2 42 GLN QE 3 no 100.0 98.2 5.779 5.888 0.108 24 9 no 0.350 0 0
2 43 ASN QB 151 no 100.0 0.0 0.000 0.015 0.015 4 2 no 0.187 0 0
2 43 ASN QD 115 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.083 0 0
2 44 ASP QB 114 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.041 0 0
2 46 GLY QA 91 no 100.0 99.9 1.488 1.488 0.001 6 3 no 0.065 0 0
2 47 ASN QB 113 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.093 0 0
2 47 ASN QD 112 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.112 0 0
2 48 LYS QB 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.060 0 0
2 48 LYS QD 186 no 100.0 0.0 0.000 0.017 0.017 2 0 no 0.308 0 0
2 49 TYR QB 185 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.010 0 0
2 50 SER QB 184 no 100.0 100.0 0.244 0.244 0.000 2 0 no 0.023 0 0
2 53 VAL QG 34 no 85.0 0.0 0.000 0.028 0.028 12 6 no 0.223 0 0
2 55 VAL QG 45 no 100.0 100.0 5.657 5.658 0.001 9 0 no 0.069 0 0
2 61 ARG QG 183 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.088 0 0
2 68 PRO QB 182 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.072 0 0
2 68 PRO QG 110 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.064 0 0
2 70 HIS QB 109 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.079 0 0
2 71 VAL QG 40 no 100.0 0.0 0.000 0.005 0.005 10 4 no 0.146 0 0
2 72 GLU QB 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 73 ILE QG 107 no 90.0 95.0 0.205 0.215 0.011 4 0 no 0.260 0 0
2 74 GLU QG 106 no 100.0 0.0 0.000 0.011 0.011 4 0 no 0.192 0 0
2 75 LYS QB 181 no 100.0 0.0 0.000 0.014 0.014 2 0 no 0.197 0 0
2 75 LYS QD 77 no 100.0 0.0 0.000 0.005 0.005 6 0 no 0.183 0 0
2 76 LYS QB 105 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.103 0 0
2 76 LYS QD 180 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.144 0 0
2 77 LYS QB 179 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.055 0 0
2 78 TYR QB 76 no 95.0 0.0 0.000 0.019 0.019 6 0 no 0.210 0 0
2 80 LEU QB 20 no 100.0 99.6 0.947 0.951 0.004 13 6 no 0.151 0 0
2 80 LEU QD 14 no 100.0 0.0 0.000 0.075 0.075 14 4 no 0.292 0 0
2 81 ASP QB 233 no 100.0 0.0 0.000 0.001 0.001 2 2 no 0.102 0 0
2 82 LYS QB 104 no 0.0 0.0 0.000 0.003 0.003 4 0 no 0.118 0 0
2 82 LYS QG 178 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.079 0 0
2 84 SER QB 103 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.139 0 0
2 85 VAL QG 75 no 90.0 0.0 0.000 0.007 0.007 6 0 no 0.200 0 0
2 87 LEU QB 232 no 0.0 0.0 0.000 0.000 0.000 2 2 no 0.071 0 0
2 87 LEU QD 54 no 100.0 0.0 0.000 0.004 0.004 8 2 no 0.120 0 0
2 88 LEU QD 8 no 100.0 99.6 5.366 5.389 0.023 15 2 no 0.178 0 0
2 89 GLU QB 102 no 100.0 0.0 0.000 0.013 0.013 4 0 no 0.154 0 0
2 90 GLN QB 33 no 100.0 97.7 3.906 3.996 0.091 12 6 no 0.802 0 1
2 90 GLN QE 37 no 100.0 86.9 0.650 0.748 0.098 10 2 no 0.802 0 1
2 90 GLN QG 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 91 ILE QG 176 no 95.0 98.5 0.102 0.104 0.002 2 0 no 0.153 0 0
2 92 ARG QB 153 no 100.0 0.0 0.000 0.002 0.002 4 4 no 0.159 0 0
2 92 ARG QG 74 no 100.0 0.0 0.000 0.004 0.004 6 0 no 0.146 0 0
2 94 LEU QB 69 no 100.0 99.4 2.541 2.555 0.014 7 2 no 0.147 0 0
2 94 LEU QD 39 no 90.0 0.0 0.000 0.016 0.016 10 4 no 0.193 0 0
2 95 ASP QB 175 no 100.0 0.0 0.000 0.004 0.004 2 0 no 0.239 0 0
2 96 LYS QB 101 no 100.0 98.7 0.620 0.627 0.008 4 0 no 0.178 0 0
2 96 LYS QD 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 97 LYS QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 97 LYS QD 172 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
2 98 ARG QD 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.062 0 0
2 99 LEU QB 73 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.091 0 0
2 99 LEU QD 100 no 100.0 0.0 0.000 0.004 0.004 4 0 no 0.125 0 0
2 100 LYS QB 99 no 100.0 0.0 0.000 0.013 0.013 4 0 no 0.159 0 0
2 100 LYS QG 170 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.166 0 0
2 101 GLU QB 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.004 0 0
2 101 GLU QG 87 no 0.0 0.0 0.000 0.000 0.000 6 2 no 0.031 0 0
2 103 LEU QB 18 no 100.0 96.1 1.768 1.840 0.072 13 5 no 0.322 0 0
2 103 LEU QD 47 no 100.0 99.4 3.243 3.263 0.020 9 6 no 0.323 0 0
2 106 LEU QB 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.062 0 0
2 106 LEU QD 72 no 0.0 0.0 0.000 0.012 0.012 6 0 no 0.201 0 0
2 107 SER QB 167 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 109 ASP QB 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.032 0 0
2 110 LYS QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.047 0 0
2 110 LYS QE 238 no 65.0 99.2 0.126 0.127 0.001 1 0 no 0.141 0 0
2 111 MET QB 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 111 MET QG 98 no 0.0 0.0 0.000 0.017 0.017 4 0 no 0.159 0 0
2 112 LYS QB 60 no 0.0 0.0 0.000 0.059 0.059 8 4 no 0.240 0 0
2 112 LYS QE 237 no 100.0 61.4 2.273 3.699 1.426 1 0 yes 4.182 2 2
2 112 LYS QG 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.059 0 0
2 113 GLU QB 59 no 100.0 0.0 0.000 0.006 0.006 8 4 no 0.146 0 0
2 113 GLU QG 162 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.159 0 0
2 114 VAL QG 24 no 100.0 0.0 0.000 0.386 0.386 12 0 yes 1.351 4 4
2 115 ASP QB 49 no 0.0 0.0 0.000 0.009 0.009 8 0 no 0.206 0 0
2 116 ASN QB 161 no 100.0 0.0 0.000 0.013 0.013 2 0 no 0.326 0 0
2 116 ASN QD 5 no 100.0 40.6 2.147 5.286 3.139 20 4 yes 3.048 14 14
2 118 LEU QB 53 no 100.0 0.0 0.000 0.007 0.007 8 2 no 0.220 0 0
2 118 LEU QD 71 no 85.0 0.0 0.000 0.034 0.034 6 0 no 0.210 0 0
2 119 MET QB 97 no 0.0 0.0 0.000 0.005 0.005 4 0 no 0.120 0 0
2 119 MET QG 58 no 95.0 0.0 0.000 0.020 0.020 8 4 no 0.275 0 0
2 120 ILE QG 150 no 90.0 99.9 0.519 0.520 0.001 4 2 no 0.071 0 0
2 121 SER QB 96 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.049 0 0
2 123 GLY QA 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.001 0 0
2 124 LEU QD 57 no 100.0 0.0 0.000 0.034 0.034 8 4 no 0.211 0 0
2 125 ASN QB 159 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.254 0 0
2 125 ASN QD 26 no 100.0 0.0 0.000 0.032 0.032 12 2 no 0.301 0 0
2 131 LYS QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.033 0 0
2 132 ASN QD 157 no 100.0 0.0 0.000 0.003 0.003 2 0 no 0.189 0 0
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