Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567416 | 2m5c RC | 19047 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2m5c
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 267
_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 0.375
_Stereo_assign_list.Total_e_high_states 496.782
_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 3 LYS QB 266 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 4 VAL QG 222 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.197 0 0
1 6 LYS QB 221 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 6 LYS QG 265 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 8 VAL QG 146 no 40.0 91.2 0.160 0.176 0.016 12 0 no 0.239 0 0
1 9 ILE QG 56 no 100.0 100.0 5.500 5.500 0.000 20 2 no 0.027 0 0
1 10 LYS QB 75 no 100.0 100.0 4.789 4.789 0.000 19 7 no 0.038 0 0
1 10 LYS QG 100 no 100.0 100.0 1.214 1.214 0.000 16 0 no 0.013 0 0
1 11 ASN QB 84 no 100.0 100.0 5.680 5.680 0.000 18 2 no 0.019 0 0
1 11 ASN QD 34 no 100.0 100.0 0.807 0.807 0.000 23 3 no 0.006 0 0
1 12 GLU QB 183 no 100.0 100.0 1.858 1.858 0.000 9 1 no 0.002 0 0
1 14 GLY QA 150 no 100.0 100.0 4.257 4.258 0.001 12 3 no 0.040 0 0
1 16 ILE QG 24 no 100.0 100.0 5.113 5.113 0.001 25 5 no 0.047 0 0
1 17 SER QB 202 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 18 ILE QG 105 no 100.0 99.9 2.003 2.005 0.002 16 2 no 0.068 0 0
1 19 SER QB 246 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.054 0 0
1 20 GLN QB 245 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 20 GLN QG 83 no 0.0 0.0 0.000 0.002 0.002 18 2 no 0.060 0 0
1 21 LEU QB 82 no 100.0 99.9 4.607 4.610 0.003 18 2 no 0.075 0 0
1 21 LEU QD 116 no 100.0 0.0 0.000 0.003 0.003 16 6 no 0.103 0 0
1 22 ASN QB 223 no 100.0 99.7 1.300 1.304 0.004 6 1 no 0.059 0 0
1 22 ASN QD 163 no 100.0 100.0 4.077 4.077 0.000 11 3 no 0.020 0 0
1 24 ASN QB 162 no 100.0 100.0 2.240 2.240 0.000 11 2 no 0.000 0 0
1 24 ASN QD 225 no 100.0 100.0 2.609 2.609 0.000 6 2 no 0.020 0 0
1 25 VAL QG 126 no 100.0 0.0 0.000 0.002 0.002 14 0 no 0.066 0 0
1 26 TRP QB 7 no 100.0 100.0 3.841 3.841 0.000 30 3 no 0.031 0 0
1 27 VAL QG 195 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 28 HIS QB 28 no 100.0 99.9 4.241 4.243 0.003 25 10 no 0.076 0 0
1 30 GLU QG 267 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 31 LEU QB 47 no 100.0 99.9 1.180 1.181 0.001 21 4 no 0.084 0 0
1 31 LEU QD 92 no 100.0 0.0 0.000 0.002 0.002 18 8 no 0.074 0 0
1 32 GLY QA 220 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.160 0 0
1 33 SER QB 244 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.124 0 0
1 34 PHE QB 201 no 0.0 0.0 0.000 0.002 0.002 8 4 no 0.170 0 0
1 35 ASN QB 264 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 35 ASN QD 219 no 100.0 99.6 0.898 0.902 0.004 6 0 no 0.202 0 0
1 37 GLU QB 182 no 100.0 99.8 3.328 3.336 0.008 9 0 no 0.177 0 0
1 37 GLU QG 243 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.018 0 0
1 39 VAL QG 44 no 100.0 0.0 0.000 0.014 0.014 22 8 no 0.209 0 0
1 40 PRO QB 131 no 100.0 99.8 3.148 3.154 0.005 14 2 no 0.121 0 0
1 40 PRO QD 115 no 100.0 100.0 1.559 1.560 0.001 16 6 no 0.065 0 0
1 40 PRO QG 218 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.045 0 0
1 41 SER QB 165 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.026 0 0
1 42 ASN QB 242 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 42 ASN QD 19 no 100.0 100.0 0.607 0.607 0.000 26 9 no 0.051 0 0
1 43 GLY QA 37 no 100.0 100.0 0.941 0.941 0.000 22 0 no 0.042 0 0
1 44 LEU QB 87 no 100.0 100.0 3.177 3.177 0.001 18 4 no 0.046 0 0
1 44 LEU QD 241 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.022 0 0
1 45 VAL QG 1 no 100.0 100.0 36.015 36.015 0.000 49 9 no 0.027 0 0
1 46 LEU QB 27 no 100.0 100.0 2.292 2.292 0.000 25 9 no 0.003 0 0
1 46 LEU QD 111 no 100.0 0.0 0.000 0.001 0.001 16 4 no 0.039 0 0
1 47 ASN QB 95 no 100.0 99.9 1.384 1.386 0.002 17 2 no 0.086 0 0
1 47 ASN QD 240 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.007 0 0
1 49 SER QB 263 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 50 LYS QB 123 no 100.0 100.0 0.861 0.861 0.000 15 5 no 0.015 0 0
1 50 LYS QG 168 no 100.0 100.0 1.601 1.601 0.000 10 1 no 0.000 0 0
1 51 GLY QA 110 no 100.0 99.9 4.568 4.574 0.006 16 4 no 0.124 0 0
1 52 LEU QB 179 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 52 LEU QD 6 no 40.0 99.3 0.125 0.126 0.001 33 14 no 0.059 0 0
1 53 VAL QG 8 no 100.0 0.0 0.000 0.011 0.011 30 4 no 0.205 0 0
1 54 LEU QB 49 no 100.0 99.5 3.632 3.649 0.017 21 6 no 0.200 0 0
1 54 LEU QD 91 no 100.0 85.6 0.070 0.082 0.012 18 6 no 0.102 0 0
1 55 VAL QG 109 no 100.0 0.0 0.000 0.000 0.000 16 4 no 0.031 0 0
1 56 ASP QB 217 no 100.0 0.0 0.000 0.002 0.002 6 0 no 0.173 0 0
1 57 SER QB 178 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 58 SER QB 5 no 100.0 99.9 7.673 7.683 0.011 33 9 no 0.136 0 0
1 59 TRP QB 120 no 100.0 100.0 3.185 3.185 0.001 15 2 no 0.072 0 0
1 60 ASP QB 239 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 61 ASP QB 238 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 62 LYS QG 216 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 63 LEU QB 20 no 100.0 100.0 1.750 1.750 0.000 26 10 no 0.000 0 0
1 63 LEU QD 60 no 100.0 0.0 0.000 0.001 0.001 20 4 no 0.041 0 0
1 65 LYS QB 194 no 100.0 100.0 0.606 0.606 0.000 8 0 no 0.011 0 0
1 65 LYS QG 155 no 100.0 0.0 0.000 0.001 0.001 12 4 no 0.101 0 0
1 66 GLU QB 160 no 100.0 99.9 1.533 1.534 0.001 11 1 no 0.054 0 0
1 67 LEU QB 74 no 100.0 99.9 3.866 3.870 0.004 19 6 no 0.088 0 0
1 67 LEU QD 13 no 100.0 97.1 0.329 0.338 0.010 28 12 no 0.126 0 0
1 68 ILE QG 250 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 69 GLU QG 177 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 70 MET QB 167 no 100.0 99.9 1.403 1.404 0.001 10 1 no 0.051 0 0
1 70 MET QG 40 no 100.0 100.0 3.985 3.987 0.002 22 5 no 0.068 0 0
1 71 VAL QG 2 no 100.0 100.0 40.305 40.316 0.011 47 13 no 0.306 0 0
1 72 GLU QB 166 no 100.0 100.0 3.992 3.992 0.000 10 1 no 0.033 0 0
1 72 GLU QG 149 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.000 0 0
1 74 LYS QB 55 no 100.0 100.0 1.790 1.790 0.000 20 1 no 0.000 0 0
1 74 LYS QD 227 no 100.0 100.0 1.366 1.366 0.000 5 0 no 0.000 0 0
1 74 LYS QE 249 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.009 0 0
1 74 LYS QG 138 no 100.0 100.0 3.124 3.124 0.000 13 0 no 0.026 0 0
1 75 PHE QB 46 no 100.0 100.0 1.988 1.989 0.000 22 9 no 0.046 0 0
1 76 GLN QE 226 no 100.0 99.9 3.141 3.145 0.004 6 3 no 0.079 0 0
1 76 GLN QG 159 no 100.0 100.0 3.722 3.723 0.001 11 1 no 0.058 0 0
1 77 LYS QB 52 no 100.0 99.7 2.560 2.567 0.007 21 8 no 0.101 0 0
1 77 LYS QG 76 no 100.0 99.7 1.189 1.193 0.004 19 10 no 0.079 0 0
1 79 VAL QG 193 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.025 0 0
1 82 VAL QG 145 no 90.0 100.0 0.380 0.380 0.000 12 0 no 0.000 0 0
1 83 ILE QG 172 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.056 0 0
1 84 ILE QG 57 no 100.0 99.6 1.108 1.113 0.005 20 3 no 0.153 0 0
1 86 HIS QB 104 no 100.0 100.0 1.926 1.926 0.000 16 2 no 0.027 0 0
1 88 HIS QB 125 no 100.0 100.0 2.164 2.164 0.000 14 0 no 0.033 0 0
1 90 ASP QB 192 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.018 0 0
1 91 ARG QB 215 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.014 0 0
1 92 ILE QG 119 no 100.0 100.0 5.737 5.739 0.002 15 1 no 0.072 0 0
1 93 GLY QA 93 no 100.0 100.0 0.605 0.605 0.000 17 1 no 0.017 0 0
1 94 GLY QA 127 no 100.0 100.0 4.771 4.771 0.000 14 1 no 0.021 0 0
1 95 ILE QG 50 no 100.0 99.4 1.724 1.735 0.011 21 7 no 0.384 0 0
1 96 LYS QB 181 no 100.0 100.0 0.561 0.561 0.000 9 0 no 0.000 0 0
1 96 LYS QG 214 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.034 0 0
1 98 LEU QB 31 no 100.0 100.0 4.545 4.545 0.000 24 6 no 0.005 0 0
1 98 LEU QD 11 no 100.0 0.0 0.000 0.002 0.002 28 8 no 0.099 0 0
1 99 LYS QG 72 no 100.0 100.0 4.054 4.055 0.001 19 5 no 0.080 0 0
1 100 GLU QG 213 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.082 0 0
1 101 ARG QB 121 no 100.0 100.0 2.919 2.919 0.000 15 4 no 0.000 0 0
1 101 ARG QD 66 no 100.0 100.0 1.878 1.879 0.000 19 3 no 0.025 0 0
1 101 ARG QG 144 no 100.0 100.0 3.715 3.715 0.000 12 0 no 0.046 0 0
1 103 ILE QG 106 no 100.0 100.0 1.027 1.027 0.000 16 3 no 0.025 0 0
1 104 LYS QB 53 no 100.0 100.0 2.736 2.736 0.000 20 0 no 0.031 0 0
1 104 LYS QG 143 no 100.0 100.0 0.774 0.774 0.000 12 0 no 0.029 0 0
1 106 HIS QB 15 no 100.0 99.9 2.876 2.878 0.003 27 6 no 0.086 0 0
1 107 SER QB 156 no 100.0 0.0 0.000 0.000 0.000 12 6 no 0.011 0 0
1 110 LEU QB 90 no 100.0 99.9 1.690 1.692 0.002 18 6 no 0.111 0 0
1 110 LEU QD 200 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.046 0 0
1 113 GLU QG 212 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.056 0 0
1 114 LEU QB 147 no 100.0 99.9 5.535 5.540 0.005 12 1 no 0.143 0 0
1 114 LEU QD 176 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.048 0 0
1 116 LYS QB 204 no 100.0 100.0 1.611 1.612 0.000 7 0 no 0.050 0 0
1 116 LYS QG 108 no 100.0 100.0 2.589 2.589 0.000 16 4 no 0.030 0 0
1 117 LYS QG 262 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 118 ASN QB 65 no 100.0 100.0 4.618 4.618 0.000 19 3 no 0.043 0 0
1 118 ASN QD 89 no 100.0 100.0 1.294 1.294 0.000 18 6 no 0.048 0 0
1 119 GLY QA 184 no 100.0 100.0 0.790 0.791 0.000 9 2 no 0.043 0 0
1 120 TYR QB 64 no 100.0 100.0 3.343 3.344 0.001 19 1 no 0.089 0 0
1 121 GLU QB 237 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 121 GLU QG 175 no 100.0 0.0 0.000 0.004 0.004 10 4 no 0.270 0 0
1 122 GLU QB 196 no 100.0 100.0 1.798 1.798 0.000 8 3 no 0.000 0 0
1 122 GLU QG 36 no 100.0 100.0 2.635 2.636 0.001 23 8 no 0.049 0 0
1 123 PRO QB 25 no 100.0 100.0 4.779 4.779 0.000 25 6 no 0.051 0 0
1 123 PRO QD 39 no 100.0 100.0 4.170 4.170 0.000 22 5 no 0.020 0 0
1 123 PRO QG 73 no 100.0 100.0 4.265 4.265 0.000 19 6 no 0.022 0 0
1 124 LEU QB 18 no 100.0 100.0 3.410 3.410 0.000 26 9 no 0.010 0 0
1 124 LEU QD 32 no 100.0 0.0 0.000 0.000 0.000 24 8 no 0.006 0 0
1 125 GLY QA 81 no 75.0 100.0 0.540 0.540 0.000 18 2 no 0.008 0 0
1 126 ASP QB 158 no 100.0 0.0 0.000 0.000 0.000 12 8 no 0.000 0 0
1 127 LEU QD 154 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.023 0 0
1 128 GLN QB 134 no 100.0 100.0 3.370 3.370 0.000 14 4 no 0.000 0 0
1 128 GLN QE 174 no 100.0 100.0 6.002 6.002 0.000 10 4 no 0.014 0 0
1 128 GLN QG 137 no 100.0 100.0 2.429 2.429 0.000 13 0 no 0.007 0 0
1 130 VAL QG 130 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.008 0 0
1 132 ASN QB 203 no 100.0 100.0 1.839 1.839 0.000 7 0 no 0.016 0 0
1 132 ASN QD 97 no 100.0 100.0 2.501 2.501 0.000 17 5 no 0.013 0 0
1 133 LEU QB 103 no 100.0 100.0 2.172 2.172 0.000 16 2 no 0.020 0 0
1 133 LEU QD 80 no 100.0 0.0 0.000 0.000 0.000 18 2 no 0.015 0 0
1 134 LYS QB 236 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 134 LYS QG 191 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 135 PHE QB 71 no 100.0 100.0 4.087 4.088 0.000 19 5 no 0.047 0 0
1 136 GLY QA 248 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 137 ASN QD 261 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 138 MET QB 23 no 100.0 100.0 0.631 0.631 0.000 25 5 no 0.050 0 0
1 139 LYS QB 199 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.016 0 0
1 139 LYS QG 211 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.005 0 0
1 140 VAL QG 171 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 141 GLU QB 98 no 100.0 100.0 2.900 2.900 0.000 17 6 no 0.014 0 0
1 141 GLU QG 153 no 100.0 0.0 0.000 0.000 0.000 12 4 no 0.031 0 0
1 143 PHE QB 38 no 100.0 100.0 4.547 4.547 0.000 22 4 no 0.006 0 0
1 144 TYR QB 118 no 100.0 100.0 2.755 2.756 0.000 15 0 no 0.036 0 0
1 145 PRO QB 180 no 100.0 0.0 0.000 0.000 0.000 10 6 no 0.014 0 0
1 145 PRO QD 59 no 100.0 100.0 1.672 1.672 0.000 20 4 no 0.022 0 0
1 145 PRO QG 157 no 100.0 100.0 0.937 0.937 0.000 12 7 no 0.032 0 0
1 146 GLY QA 260 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 147 LYS QD 43 no 100.0 100.0 4.668 4.669 0.000 22 8 no 0.040 0 0
1 147 LYS QG 139 no 100.0 100.0 1.398 1.398 0.000 13 3 no 0.008 0 0
1 148 GLY QA 41 no 100.0 99.9 1.935 1.936 0.001 22 6 no 0.065 0 0
1 149 HIS QB 69 no 100.0 100.0 3.814 3.814 0.000 19 4 no 0.000 0 0
1 151 GLU QB 79 no 100.0 100.0 3.345 3.346 0.000 18 2 no 0.044 0 0
1 151 GLU QG 58 no 100.0 100.0 3.113 3.113 0.000 20 4 no 0.074 0 0
1 152 ASP QB 170 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.078 0 0
1 153 ASN QB 48 no 100.0 100.0 1.745 1.745 0.000 21 6 no 0.081 0 0
1 153 ASN QD 77 no 100.0 100.0 5.286 5.287 0.001 18 1 no 0.063 0 0
1 154 ILE QG 190 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.018 0 0
1 155 VAL QG 88 no 100.0 0.0 0.000 0.000 0.000 18 6 no 0.032 0 0
1 157 TRP QB 54 no 100.0 100.0 1.889 1.890 0.001 20 1 no 0.044 0 0
1 158 LEU QB 16 no 100.0 100.0 6.732 6.733 0.000 26 4 no 0.040 0 0
1 158 LEU QD 148 no 100.0 0.0 0.000 0.000 0.000 12 2 no 0.008 0 0
1 159 PRO QB 210 no 100.0 100.0 1.938 1.938 0.000 6 0 no 0.002 0 0
1 159 PRO QD 10 no 100.0 100.0 3.195 3.195 0.000 28 7 no 0.021 0 0
1 159 PRO QG 129 no 100.0 100.0 0.725 0.725 0.000 14 2 no 0.000 0 0
1 160 GLN QB 247 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 160 GLN QE 68 no 100.0 100.0 2.109 2.109 0.000 19 4 no 0.006 0 0
1 160 GLN QG 169 no 100.0 0.0 0.000 0.000 0.000 10 2 no 0.000 0 0
1 161 TYR QB 61 no 100.0 100.0 4.123 4.123 0.000 20 5 no 0.011 0 0
1 162 ASN QB 30 no 100.0 100.0 6.320 6.320 0.000 24 5 no 0.040 0 0
1 162 ASN QD 252 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.015 0 0
1 163 ILE QG 70 no 100.0 100.0 2.625 2.625 0.000 19 5 no 0.000 0 0
1 164 LEU QB 133 no 100.0 0.0 0.000 0.000 0.000 14 4 no 0.000 0 0
1 164 LEU QD 86 no 100.0 0.0 0.000 0.000 0.000 18 4 no 0.000 0 0
1 165 VAL QG 209 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 166 GLY QA 189 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.001 0 0
1 167 GLY QA 142 no 100.0 100.0 0.869 0.869 0.000 12 0 no 0.050 0 0
1 168 CYS QB 235 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 169 LEU QB 124 no 100.0 100.0 1.993 1.993 0.000 15 8 no 0.029 0 0
1 169 LEU QD 33 no 100.0 0.0 0.000 0.000 0.000 24 10 no 0.003 0 0
1 170 VAL QG 188 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.038 0 0
1 171 LYS QB 259 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 171 LYS QG 234 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 172 SER QB 224 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 174 SER QB 258 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 176 LYS QG 233 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 177 ASP QB 232 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.108 0 0
1 178 LEU QB 198 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 178 LEU QD 17 no 0.0 0.0 0.000 0.001 0.001 26 6 no 0.071 0 0
1 179 GLY QA 257 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 180 ASN QB 256 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 180 ASN QD 231 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.021 0 0
1 181 VAL QG 22 no 100.0 100.0 19.734 19.734 0.000 25 2 no 0.042 0 0
1 183 ASP QB 230 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.009 0 0
1 185 TYR QB 63 no 100.0 100.0 2.675 2.675 0.000 20 9 no 0.030 0 0
1 186 VAL QG 114 no 100.0 0.0 0.000 0.003 0.003 16 6 no 0.117 0 0
1 187 ASN QD 140 no 100.0 100.0 0.799 0.800 0.000 13 4 no 0.036 0 0
1 188 GLU QB 35 no 100.0 100.0 3.927 3.927 0.000 23 6 no 0.004 0 0
1 188 GLU QG 187 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.010 0 0
1 189 TRP QB 51 no 100.0 100.0 2.441 2.441 0.001 21 8 no 0.060 0 0
1 192 SER QB 9 no 100.0 99.4 1.618 1.629 0.010 30 12 no 0.133 0 0
1 193 ILE QG 14 no 100.0 99.5 4.429 4.450 0.021 27 3 no 0.187 0 0
1 194 GLU QB 26 no 100.0 100.0 7.357 7.358 0.001 25 9 no 0.048 0 0
1 194 GLU QG 96 no 100.0 99.9 3.472 3.476 0.004 17 5 no 0.089 0 0
1 195 ASN QB 4 no 100.0 99.9 8.506 8.514 0.008 34 11 no 0.137 0 0
1 195 ASN QD 42 no 100.0 100.0 2.799 2.799 0.000 22 7 no 0.023 0 0
1 196 VAL QG 78 no 100.0 0.0 0.000 0.000 0.000 18 2 no 0.048 0 0
1 197 LEU QB 173 no 100.0 100.0 3.345 3.345 0.000 10 4 no 0.039 0 0
1 197 LEU QD 45 no 100.0 100.0 1.919 1.919 0.000 22 9 no 0.000 0 0
1 198 LYS QG 141 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 199 ARG QB 94 no 100.0 100.0 2.952 2.952 0.000 17 2 no 0.021 0 0
1 199 ARG QD 164 no 100.0 0.0 0.000 0.000 0.000 10 0 no 0.000 0 0
1 199 ARG QG 186 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.000 0 0
1 200 TYR QB 255 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 201 ARG QB 136 no 100.0 100.0 1.502 1.502 0.000 13 0 no 0.028 0 0
1 202 ASN QB 197 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.015 0 0
1 202 ASN QD 254 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.041 0 0
1 203 ILE QG 135 no 100.0 100.0 3.585 3.585 0.000 13 0 no 0.000 0 0
1 204 ASN QB 208 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.026 0 0
1 204 ASN QD 152 no 100.0 100.0 3.393 3.394 0.000 12 4 no 0.019 0 0
1 206 VAL QG 207 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 207 VAL QG 128 no 100.0 0.0 0.000 0.000 0.000 14 2 no 0.014 0 0
1 208 PRO QB 112 no 100.0 100.0 3.862 3.862 0.000 16 5 no 0.015 0 0
1 208 PRO QD 12 no 100.0 99.1 1.867 1.883 0.016 28 10 no 0.198 0 0
1 208 PRO QG 251 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 209 GLY QA 253 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 210 HIS QB 229 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 211 GLY QA 205 no 100.0 100.0 2.480 2.480 0.000 7 2 no 0.000 0 0
1 213 VAL QG 85 no 0.0 0.0 0.000 0.002 0.002 18 4 no 0.095 0 0
1 214 GLY QA 161 no 100.0 99.7 4.400 4.413 0.013 11 2 no 0.214 0 0
1 215 ASP QB 185 no 100.0 0.0 0.000 0.000 0.000 8 0 no 0.055 0 0
1 216 LYS QB 102 no 100.0 100.0 3.700 3.700 0.000 16 2 no 0.013 0 0
1 216 LYS QG 206 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 217 GLY QA 122 no 100.0 100.0 3.629 3.629 0.000 15 5 no 0.034 0 0
1 218 LEU QB 99 no 100.0 100.0 1.939 1.940 0.001 17 7 no 0.083 0 0
1 218 LEU QD 21 no 100.0 99.6 0.811 0.814 0.004 26 16 no 0.137 0 0
1 219 LEU QB 67 no 100.0 100.0 1.584 1.585 0.001 19 4 no 0.049 0 0
1 219 LEU QD 151 no 100.0 0.0 0.000 0.014 0.014 12 4 no 0.146 0 0
1 220 LEU QD 132 no 100.0 100.0 1.851 1.851 0.000 14 4 no 0.019 0 0
1 221 HIS QB 62 no 100.0 99.3 0.501 0.504 0.004 20 6 no 0.137 0 0
1 223 LEU QB 101 no 100.0 100.0 4.998 5.000 0.002 16 2 no 0.088 0 0
1 223 LEU QD 113 no 100.0 0.0 0.000 0.000 0.000 16 6 no 0.000 0 0
1 224 ASP QB 117 no 100.0 100.0 1.748 1.749 0.000 15 0 no 0.078 0 0
1 225 LEU QB 107 no 100.0 100.0 1.167 1.167 0.000 16 4 no 0.021 0 0
1 225 LEU QD 29 no 100.0 0.0 0.000 0.001 0.001 24 4 no 0.059 0 0
1 226 LEU QD 3 no 95.0 0.0 0.000 0.027 0.027 36 4 no 0.197 0 0
1 227 LYS QG 228 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
stop_
save_