NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
489633 |
2l50   |
17261 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2l50
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 222
_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 30
_Stereo_assign_list.Total_e_low_states 0.395
_Stereo_assign_list.Total_e_high_states 165.662
_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 1 SER QB 220 no 83.3 99.7 1.041 1.044 0.003 1 0 no 0.102 0 0
1 2 ASP QB 188 no 56.7 99.2 0.636 0.641 0.005 3 0 no 0.149 0 0
1 4 TYR QB 206 no 20.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 6 GLU QB 146 no 100.0 100.0 0.000 0.000 0.000 5 3 no 0.030 0 0
1 6 GLU QG 38 no 100.0 99.2 1.296 1.306 0.010 11 4 no 0.114 0 0
1 7 LEU QB 208 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 7 LEU QD 30 no 100.0 99.9 3.459 3.461 0.002 11 2 no 0.056 0 0
1 8 GLU QG 50 no 100.0 99.9 1.008 1.009 0.001 10 3 no 0.102 0 0
1 9 LYS QB 134 no 13.3 100.0 0.003 0.003 0.000 6 1 no 0.000 0 0
1 9 LYS QD 64 no 83.3 97.4 0.257 0.264 0.007 9 1 no 0.144 0 0
1 11 VAL QG 24 no 100.0 99.8 0.105 0.105 0.000 13 0 no 0.030 0 0
1 12 ILE QG 84 no 100.0 100.0 1.065 1.065 0.000 8 0 no 0.048 0 0
1 13 VAL QG 12 no 100.0 99.9 2.815 2.817 0.002 18 7 no 0.067 0 0
1 14 LEU QB 26 no 3.3 96.4 0.022 0.023 0.001 13 4 no 0.086 0 0
1 14 LEU QD 6 no 100.0 100.0 5.097 5.097 0.000 19 4 no 0.055 0 0
1 15 VAL QG 4 no 100.0 100.0 6.546 6.547 0.001 20 0 no 0.050 0 0
1 16 GLU QG 144 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.078 0 0
1 17 ASN QB 130 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.015 0 0
1 17 ASN QD 174 no 20.0 99.5 0.095 0.095 0.001 4 0 no 0.070 0 0
1 18 PHE QB 219 no 3.3 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 19 TYR QB 129 no 100.0 6.8 0.000 0.000 0.000 6 0 no 0.012 0 0
1 20 LYS QG 62 no 20.0 98.8 0.017 0.018 0.000 9 0 no 0.041 0 0
1 22 VAL QG 61 no 80.0 100.0 1.006 1.006 0.000 9 0 no 0.041 0 0
1 24 LYS QB 173 no 43.3 28.5 0.002 0.008 0.006 4 0 no 0.190 0 0
1 24 LYS QG 172 no 36.7 97.9 0.020 0.020 0.000 4 0 no 0.077 0 0
1 25 TYR QB 218 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 26 SER QB 171 no 46.7 98.3 0.026 0.027 0.000 4 0 no 0.062 0 0
1 27 LEU QB 112 no 83.3 99.3 0.049 0.049 0.000 7 4 no 0.077 0 0
1 27 LEU QD 74 no 100.0 99.6 0.223 0.224 0.001 9 4 no 0.059 0 0
1 28 VAL QG 37 no 93.3 98.1 0.219 0.224 0.004 11 4 no 0.124 0 0
1 29 LYS QB 187 no 66.7 100.0 0.518 0.518 0.000 3 0 no 0.064 0 0
1 29 LYS QG 104 no 36.7 76.6 0.005 0.007 0.002 7 0 no 0.095 0 0
1 30 ASN QD 217 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 32 ILE QG 205 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 LYS QB 170 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 34 LYS QD 68 no 86.7 99.6 1.216 1.220 0.005 9 2 no 0.105 0 0
1 34 LYS QG 169 no 60.0 99.7 0.432 0.433 0.001 4 0 no 0.116 0 0
1 35 SER QB 204 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 36 SER QB 203 no 80.0 100.0 0.917 0.917 0.000 2 0 no 0.069 0 0
1 38 ARG QG 103 no 100.0 99.5 0.602 0.605 0.003 7 0 no 0.106 0 0
1 39 GLU QG 48 no 100.0 95.5 0.128 0.134 0.006 10 2 no 0.135 0 0
1 40 MET QG 83 no 13.3 99.7 0.004 0.004 0.000 8 0 no 0.016 0 0
1 41 LEU QB 92 no 96.7 99.1 0.615 0.620 0.005 8 3 no 0.109 0 0
1 41 LEU QD 2 no 100.0 100.0 6.253 6.255 0.002 21 7 no 0.113 0 0
1 42 GLN QB 140 no 3.3 89.6 0.000 0.000 0.000 6 4 no 0.014 0 0
1 42 GLN QE 22 no 100.0 99.2 0.668 0.673 0.005 14 13 no 0.138 0 0
1 42 GLN QG 58 no 80.0 99.3 0.542 0.546 0.004 10 5 no 0.090 0 0
1 43 LYS QB 102 no 100.0 99.3 0.118 0.119 0.001 7 0 no 0.058 0 0
1 43 LYS QG 67 no 100.0 99.9 3.083 3.085 0.002 9 2 no 0.076 0 0
1 44 GLU QG 202 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 45 LEU QB 76 no 100.0 100.0 0.000 0.000 0.000 9 5 no 0.042 0 0
1 45 LEU QD 14 no 100.0 100.0 6.270 6.271 0.001 18 9 no 0.092 0 0
1 46 ASN QB 201 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 46 ASN QD 101 no 6.7 95.9 0.018 0.019 0.001 7 0 no 0.108 0 0
1 47 HIS QB 128 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 48 MET QB 168 no 56.7 94.2 0.015 0.016 0.001 4 0 no 0.061 0 0
1 49 LEU QB 111 no 96.7 65.4 0.000 0.000 0.000 7 4 no 0.029 0 0
1 49 LEU QD 18 no 100.0 99.9 2.197 2.200 0.002 16 6 no 0.128 0 0
1 54 ASN QD 186 no 66.7 100.0 0.411 0.411 0.000 3 0 no 0.032 0 0
1 55 ARG QB 54 no 30.0 88.3 0.004 0.005 0.001 10 4 no 0.088 0 0
1 55 ARG QD 20 no 73.3 69.5 0.038 0.055 0.017 14 10 no 0.178 0 0
1 55 ARG QG 167 no 46.7 87.0 0.004 0.005 0.001 4 0 no 0.060 0 0
1 56 LYS QG 44 no 66.7 81.2 0.049 0.060 0.011 10 0 no 0.178 0 0
1 59 ASP QB 127 no 93.3 99.6 0.036 0.036 0.000 6 0 no 0.031 0 0
1 60 LYS QG 43 no 100.0 98.3 0.343 0.349 0.006 10 0 no 0.128 0 0
1 61 LEU QD 8 no 100.0 100.0 12.388 12.389 0.001 18 3 no 0.044 0 0
1 62 ILE QG 100 no 100.0 99.8 1.136 1.138 0.002 7 0 no 0.076 0 0
1 63 GLN QB 57 no 100.0 97.9 0.457 0.467 0.010 10 5 no 0.139 0 0
1 63 GLN QE 116 no 100.0 99.7 0.084 0.084 0.000 7 7 no 0.033 0 0
1 63 GLN QG 53 no 100.0 99.6 0.399 0.401 0.002 10 4 no 0.080 0 0
1 64 ASN QB 106 no 100.0 1.7 0.000 0.000 0.000 7 1 no 0.050 0 0
1 64 ASN QD 178 no 20.0 93.1 0.002 0.002 0.000 4 2 no 0.031 0 0
1 65 LEU QB 94 no 73.3 98.0 0.057 0.058 0.001 8 4 no 0.086 0 0
1 65 LEU QD 16 no 100.0 99.8 1.318 1.320 0.002 17 8 no 0.076 0 0
1 68 ASN QB 136 no 3.3 32.5 0.000 0.001 0.000 6 2 no 0.063 0 0
1 68 ASN QD 32 no 100.0 99.9 0.484 0.484 0.000 11 3 no 0.057 0 0
1 69 HIS QB 110 no 76.7 97.9 0.028 0.028 0.001 7 4 no 0.069 0 0
1 72 ARG QB 139 no 40.0 83.5 0.006 0.007 0.001 6 4 no 0.086 0 0
1 72 ARG QD 28 no 96.7 94.3 0.028 0.030 0.002 12 8 no 0.086 0 0
1 72 ARG QG 166 no 6.7 85.6 0.001 0.002 0.000 4 0 no 0.054 0 0
1 73 ILE QG 185 no 56.7 99.9 0.119 0.120 0.000 3 0 no 0.043 0 0
1 75 PHE QB 200 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 76 ASP QB 184 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 77 GLU QB 165 no 40.0 34.8 0.001 0.003 0.002 4 0 no 0.070 0 0
1 77 GLU QG 143 no 26.7 99.8 0.043 0.043 0.000 5 0 no 0.028 0 0
1 79 TRP QB 164 no 100.0 99.8 0.001 0.001 0.000 4 0 no 0.047 0 0
1 81 LEU QB 91 no 100.0 100.0 0.000 0.000 0.000 8 3 no 0.033 0 0
1 81 LEU QD 10 no 100.0 99.9 1.898 1.899 0.001 18 5 no 0.044 0 0
1 82 ILE QG 82 no 100.0 100.0 2.333 2.334 0.001 8 0 no 0.052 0 0
1 83 GLY QA 216 no 26.7 97.1 0.000 0.000 0.000 1 0 no 0.007 0 0
1 84 GLY QA 222 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
1 85 ILE QG 86 no 100.0 100.0 0.043 0.043 0.000 8 1 no 0.000 0 0
1 87 GLY QA 199 no 100.0 100.0 0.046 0.046 0.000 2 0 no 0.468 0 0
1 88 PRO QD 198 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 88 PRO QG 215 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 89 ILE QG 126 no 73.3 94.5 0.014 0.015 0.001 6 0 no 0.050 0 0
1 91 LYS QB 125 no 53.3 50.8 0.002 0.005 0.002 6 0 no 0.133 0 0
1 92 LEU QB 73 no 96.7 97.1 0.026 0.026 0.001 9 4 no 0.052 0 0
1 92 LEU QD 40 no 100.0 100.0 8.379 8.381 0.002 11 6 no 0.069 0 0
1 93 ILE QG 163 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.016 0 0
1 95 GLU QB 162 no 56.7 99.5 0.486 0.489 0.003 4 0 no 0.097 0 0
1 95 GLU QG 161 no 66.7 85.4 0.015 0.018 0.003 4 0 no 0.095 0 0
1 96 GLN QB 72 no 86.7 4.0 0.000 0.001 0.001 9 4 no 0.065 0 0
1 96 GLN QE 78 no 23.3 93.2 0.007 0.008 0.001 9 7 no 0.069 0 0
1 96 GLN QG 133 no 50.0 95.2 0.040 0.042 0.002 6 1 no 0.105 0 0
1 97 GLU QG 124 no 100.0 99.4 1.183 1.191 0.008 6 0 no 0.149 0 0
1 98 GLN QB 36 no 100.0 99.8 0.585 0.586 0.001 11 4 no 0.080 0 0
1 98 GLN QE 114 no 100.0 99.9 0.751 0.752 0.001 7 5 no 0.070 0 0
1 98 GLN QG 46 no 90.0 89.5 0.197 0.221 0.023 10 1 no 0.217 0 0
1 99 GLN QB 88 no 86.7 99.7 0.315 0.316 0.001 8 2 no 0.109 0 0
1 99 GLN QE 177 no 100.0 99.8 0.335 0.335 0.001 4 2 no 0.109 0 0
2 1 SER QB 214 no 93.3 99.7 1.063 1.066 0.003 1 0 no 0.112 0 0
2 2 ASP QB 183 no 60.0 99.3 0.716 0.721 0.005 3 0 no 0.134 0 0
2 4 TYR QB 197 no 26.7 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 6 GLU QB 145 no 100.0 100.0 0.000 0.000 0.000 5 3 no 0.026 0 0
2 6 GLU QG 35 no 100.0 99.2 1.325 1.336 0.010 11 4 no 0.122 0 0
2 7 LEU QB 207 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 7 LEU QD 29 no 100.0 99.9 3.443 3.445 0.002 11 2 no 0.066 0 0
2 8 GLU QG 49 no 100.0 99.9 0.992 0.994 0.001 10 3 no 0.092 0 0
2 9 LYS QB 132 no 20.0 100.0 0.005 0.005 0.000 6 1 no 0.000 0 0
2 9 LYS QD 63 no 70.0 96.1 0.162 0.168 0.007 9 1 no 0.146 0 0
2 11 VAL QG 23 no 100.0 99.8 0.107 0.107 0.000 13 0 no 0.033 0 0
2 12 ILE QG 81 no 100.0 100.0 1.023 1.023 0.000 8 0 no 0.043 0 0
2 13 VAL QG 11 no 100.0 99.9 2.954 2.956 0.002 18 7 no 0.068 0 0
2 14 LEU QB 25 no 3.3 97.9 0.025 0.026 0.001 13 4 no 0.045 0 0
2 14 LEU QD 5 no 100.0 100.0 5.526 5.527 0.000 19 4 no 0.073 0 0
2 15 VAL QG 3 no 100.0 100.0 6.657 6.658 0.001 20 0 no 0.045 0 0
2 16 GLU QG 142 no 100.0 100.0 0.000 0.000 0.000 5 0 no 0.078 0 0
2 17 ASN QB 123 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.008 0 0
2 17 ASN QD 160 no 23.3 98.9 0.047 0.048 0.001 4 0 no 0.061 0 0
2 18 PHE QB 213 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 19 TYR QB 122 no 100.0 86.7 0.000 0.000 0.000 6 0 no 0.021 0 0
2 20 LYS QG 60 no 16.7 99.4 0.014 0.014 0.000 9 0 no 0.042 0 0
2 22 VAL QG 59 no 73.3 100.0 1.004 1.004 0.000 9 0 no 0.036 0 0
2 24 LYS QB 159 no 56.7 31.1 0.002 0.007 0.005 4 0 no 0.183 0 0
2 24 LYS QG 158 no 33.3 97.3 0.021 0.022 0.001 4 0 no 0.107 0 0
2 25 TYR QB 212 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 26 SER QB 157 no 36.7 98.1 0.034 0.035 0.001 4 0 no 0.084 0 0
2 27 LEU QB 109 no 86.7 99.9 0.038 0.038 0.000 7 4 no 0.031 0 0
2 27 LEU QD 71 no 100.0 99.8 0.230 0.231 0.000 9 4 no 0.062 0 0
2 28 VAL QG 34 no 93.3 97.4 0.170 0.174 0.004 11 4 no 0.122 0 0
2 29 LYS QB 182 no 73.3 100.0 0.519 0.519 0.000 3 0 no 0.052 0 0
2 29 LYS QG 99 no 40.0 83.3 0.007 0.008 0.001 7 0 no 0.084 0 0
2 30 ASN QD 211 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 32 ILE QG 196 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 34 LYS QB 156 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
2 34 LYS QD 66 no 90.0 99.6 1.233 1.238 0.005 9 2 no 0.106 0 0
2 34 LYS QG 155 no 70.0 99.7 0.424 0.425 0.001 4 0 no 0.134 0 0
2 35 SER QB 195 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 36 SER QB 194 no 86.7 100.0 0.922 0.923 0.000 2 0 no 0.041 0 0
2 38 ARG QG 98 no 100.0 99.7 0.664 0.666 0.002 7 0 no 0.086 0 0
2 39 GLU QG 47 no 100.0 95.8 0.132 0.137 0.006 10 2 no 0.114 0 0
2 40 MET QG 80 no 20.0 100.0 0.009 0.009 0.000 8 0 no 0.007 0 0
2 41 LEU QB 90 no 93.3 99.1 0.575 0.580 0.005 8 3 no 0.107 0 0
2 41 LEU QD 1 no 100.0 100.0 6.314 6.316 0.002 21 7 no 0.107 0 0
2 42 GLN QB 138 no 3.3 78.6 0.000 0.000 0.000 6 4 no 0.026 0 0
2 42 GLN QE 21 no 100.0 99.3 0.661 0.665 0.005 14 13 no 0.110 0 0
2 42 GLN QG 56 no 76.7 99.3 0.511 0.515 0.004 10 5 no 0.108 0 0
2 43 LYS QB 97 no 100.0 99.3 0.123 0.124 0.001 7 0 no 0.054 0 0
2 43 LYS QG 65 no 100.0 99.9 3.017 3.019 0.002 9 2 no 0.069 0 0
2 44 GLU QG 193 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 45 LEU QB 75 no 100.0 100.0 0.000 0.000 0.000 9 5 no 0.037 0 0
2 45 LEU QD 13 no 100.0 100.0 6.300 6.301 0.001 18 9 no 0.102 0 0
2 46 ASN QB 192 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 46 ASN QD 96 no 13.3 95.6 0.014 0.015 0.001 7 0 no 0.099 0 0
2 47 HIS QB 121 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 48 MET QB 154 no 56.7 93.3 0.016 0.017 0.001 4 0 no 0.090 0 0
2 49 LEU QB 108 no 100.0 100.0 0.000 0.000 0.000 7 4 no 0.032 0 0
2 49 LEU QD 17 no 100.0 99.9 1.969 1.971 0.002 16 6 no 0.114 0 0
2 54 ASN QD 181 no 63.3 100.0 0.398 0.398 0.000 3 0 no 0.030 0 0
2 55 ARG QB 52 no 33.3 89.5 0.005 0.005 0.001 10 4 no 0.084 0 0
2 55 ARG QD 19 no 73.3 64.4 0.031 0.048 0.017 14 10 no 0.190 0 0
2 55 ARG QG 153 no 43.3 86.3 0.004 0.004 0.001 4 0 no 0.059 0 0
2 56 LYS QG 42 no 63.3 78.7 0.045 0.057 0.012 10 0 no 0.181 0 0
2 59 ASP QB 120 no 96.7 99.4 0.039 0.039 0.000 6 0 no 0.039 0 0
2 60 LYS QG 41 no 100.0 97.7 0.340 0.348 0.008 10 0 no 0.216 0 0
2 61 LEU QD 7 no 100.0 100.0 12.332 12.334 0.001 18 3 no 0.043 0 0
2 62 ILE QG 95 no 100.0 99.8 1.143 1.144 0.002 7 0 no 0.066 0 0
2 63 GLN QB 55 no 100.0 97.9 0.463 0.473 0.010 10 5 no 0.123 0 0
2 63 GLN QE 115 no 100.0 99.8 0.084 0.084 0.000 7 7 no 0.045 0 0
2 63 GLN QG 51 no 100.0 99.6 0.399 0.401 0.001 10 4 no 0.084 0 0
2 64 ASN QB 105 no 100.0 6.1 0.000 0.000 0.000 7 1 no 0.050 0 0
2 64 ASN QD 176 no 16.7 90.3 0.001 0.001 0.000 4 2 no 0.024 0 0
2 65 LEU QB 93 no 60.0 97.4 0.036 0.037 0.001 8 4 no 0.084 0 0
2 65 LEU QD 15 no 100.0 99.9 1.477 1.479 0.002 17 8 no 0.050 0 0
2 68 ASN QB 135 no 3.3 20.6 0.000 0.000 0.000 6 2 no 0.058 0 0
2 68 ASN QD 31 no 100.0 99.9 0.684 0.685 0.001 11 3 no 0.060 0 0
2 69 HIS QB 107 no 86.7 98.3 0.037 0.038 0.001 7 4 no 0.066 0 0
2 72 ARG QB 137 no 40.0 91.0 0.009 0.009 0.001 6 4 no 0.075 0 0
2 72 ARG QD 27 no 93.3 95.9 0.034 0.036 0.001 12 8 no 0.075 0 0
2 72 ARG QG 152 no 6.7 83.5 0.001 0.001 0.000 4 0 no 0.053 0 0
2 73 ILE QG 180 no 56.7 99.9 0.129 0.129 0.000 3 0 no 0.046 0 0
2 75 PHE QB 191 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 76 ASP QB 179 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
2 77 GLU QB 151 no 43.3 43.9 0.001 0.003 0.002 4 0 no 0.067 0 0
2 77 GLU QG 141 no 36.7 99.9 0.050 0.050 0.000 5 0 no 0.025 0 0
2 79 TRP QB 150 no 100.0 100.0 0.001 0.001 0.000 4 0 no 0.043 0 0
2 81 LEU QB 89 no 100.0 100.0 0.000 0.000 0.000 8 3 no 0.044 0 0
2 81 LEU QD 9 no 100.0 99.9 1.902 1.903 0.001 18 5 no 0.045 0 0
2 82 ILE QG 79 no 100.0 100.0 2.292 2.292 0.001 8 0 no 0.042 0 0
2 83 GLY QA 210 no 20.0 100.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 84 GLY QA 221 no 100.0 0.0 0.000 0.000 0.000 1 1 no 0.000 0 0
2 85 ILE QG 85 no 100.0 100.0 0.045 0.045 0.000 8 1 no 0.000 0 0
2 87 GLY QA 190 no 100.0 100.0 0.035 0.035 0.000 2 0 no 0.466 0 0
2 88 PRO QD 189 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
2 88 PRO QG 209 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
2 89 ILE QG 119 no 73.3 94.1 0.014 0.015 0.001 6 0 no 0.050 0 0
2 91 LYS QB 118 no 60.0 50.7 0.003 0.005 0.003 6 0 no 0.136 0 0
2 92 LEU QB 70 no 90.0 97.1 0.023 0.023 0.001 9 4 no 0.055 0 0
2 92 LEU QD 39 no 100.0 100.0 7.643 7.645 0.001 11 6 no 0.063 0 0
2 93 ILE QG 149 no 100.0 100.0 0.000 0.000 0.000 4 0 no 0.017 0 0
2 95 GLU QB 148 no 53.3 99.5 0.470 0.472 0.003 4 0 no 0.090 0 0
2 95 GLU QG 147 no 60.0 87.7 0.015 0.017 0.002 4 0 no 0.096 0 0
2 96 GLN QB 69 no 86.7 45.7 0.000 0.001 0.001 9 4 no 0.060 0 0
2 96 GLN QE 77 no 26.7 95.8 0.007 0.007 0.000 9 7 no 0.043 0 0
2 96 GLN QG 131 no 40.0 93.3 0.026 0.028 0.002 6 1 no 0.123 0 0
2 97 GLU QG 117 no 100.0 99.4 1.206 1.214 0.008 6 0 no 0.153 0 0
2 98 GLN QB 33 no 100.0 99.9 0.637 0.637 0.001 11 4 no 0.046 0 0
2 98 GLN QE 113 no 100.0 99.9 0.739 0.740 0.001 7 5 no 0.070 0 0
2 98 GLN QG 45 no 86.7 85.1 0.132 0.156 0.023 10 1 no 0.218 0 0
2 99 GLN QB 87 no 86.7 99.6 0.309 0.310 0.001 8 2 no 0.116 0 0
2 99 GLN QE 175 no 100.0 99.7 0.357 0.358 0.001 4 2 no 0.116 0 0
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