NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429831 |
2jmr   |
15032 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2jmr
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 178
_Stereo_assign_list.Swap_count 42
_Stereo_assign_list.Swap_percentage 23.6
_Stereo_assign_list.Deassign_count 56
_Stereo_assign_list.Deassign_percentage 31.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 131.143
_Stereo_assign_list.Total_e_high_states 397.812
_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 6 ILE QG 138 no 65.0 38.6 0.517 1.337 0.821 6 1 yes 1.705 5 12
1 8 ILE QG 118 no 50.0 79.6 0.281 0.353 0.072 8 0 no 0.747 0 2
1 9 ARG QB 151 no 55.0 54.5 0.029 0.053 0.024 5 1 no 0.773 0 2
1 9 ARG QD 170 no 80.0 53.1 0.092 0.173 0.081 3 1 yes 1.321 1 4
1 9 ARG QG 176 no 10.0 90.4 0.009 0.010 0.001 2 0 no 0.124 0 0
1 12 VAL QG 31 no 30.0 26.1 0.341 1.308 0.966 21 6 yes 1.694 7 16
1 13 ARG QB 77 no 55.0 62.4 0.226 0.361 0.136 12 3 yes 1.457 2 5
1 13 ARG QD 94 yes 85.0 93.8 2.591 2.762 0.171 11 4 yes 1.006 1 5
1 13 ARG QG 164 yes 90.0 71.0 1.068 1.506 0.437 4 1 no 0.235 0 0
1 14 ASP QB 51 no 70.0 29.8 0.304 1.018 0.714 15 2 no 0.824 0 3
1 15 ASN QB 177 no 100.0 89.9 0.036 0.040 0.004 2 1 no 0.329 0 0
1 15 ASN QD 137 no 90.0 87.5 0.573 0.655 0.082 6 1 no 0.100 0 0
1 16 GLY QA 158 no 100.0 93.9 1.078 1.148 0.071 5 4 no 0.322 0 0
1 17 CYS QB 62 no 60.0 67.0 0.270 0.403 0.133 14 7 no 0.093 0 0
1 18 SER QB 120 no 80.0 84.2 0.508 0.604 0.096 8 2 no 0.685 0 2
1 19 VAL QG 13 no 50.0 6.8 0.400 5.911 5.510 32 7 yes 2.655 5 11
1 22 GLU QB 130 no 70.0 61.5 0.027 0.043 0.017 7 2 no 0.444 0 0
1 22 GLU QG 53 no 40.0 27.1 0.129 0.477 0.348 15 5 yes 1.595 1 4
1 25 ASN QB 134 no 60.0 63.3 0.127 0.200 0.073 6 0 no 0.882 0 2
1 25 ASN QD 74 no 80.0 96.7 1.364 1.411 0.047 12 0 no 0.640 0 2
1 26 PHE QB 175 no 5.0 100.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 28 VAL QG 5 no 100.0 100.0 11.001 11.003 0.002 41 4 no 0.078 0 0
1 29 ASP QB 58 no 80.0 98.5 0.927 0.942 0.015 14 3 no 0.632 0 1
1 30 LEU QD 22 yes 75.0 72.7 1.999 2.750 0.751 24 2 yes 1.890 6 9
1 31 MET QB 163 no 60.0 9.1 0.007 0.081 0.074 4 1 no 0.746 0 3
1 32 GLU QB 80 no 60.0 38.1 0.119 0.311 0.193 12 6 no 0.303 0 0
1 32 GLU QG 25 no 95.0 81.0 1.386 1.711 0.325 23 8 yes 1.152 2 8
1 33 ASN QD 29 no 95.0 81.6 2.286 2.801 0.514 22 9 no 0.627 0 1
1 37 GLN QB 143 no 100.0 100.0 0.019 0.019 0.000 6 2 no 0.565 0 1
1 37 GLN QE 15 no 95.0 99.2 4.835 4.875 0.040 28 8 no 0.627 0 1
1 37 GLN QG 35 no 95.0 98.7 1.073 1.087 0.014 19 2 no 0.447 0 0
1 38 PHE QB 59 no 95.0 99.6 0.427 0.429 0.002 14 5 no 0.072 0 0
1 39 ASN QB 150 no 95.0 15.6 0.000 0.002 0.002 5 1 no 0.106 0 0
1 39 ASN QD 144 no 45.0 61.9 0.364 0.587 0.223 6 4 no 0.102 0 0
1 40 ASN QB 49 no 100.0 54.6 1.624 2.976 1.351 16 4 no 0.087 0 0
1 40 ASN QD 104 no 25.0 22.4 0.064 0.285 0.221 10 3 yes 1.582 2 3
1 41 ILE QG 65 yes 100.0 99.7 1.480 1.485 0.005 13 1 no 0.085 0 0
1 42 GLY QA 146 no 95.0 99.7 0.061 0.061 0.000 5 0 no 0.527 0 1
1 46 PRO QD 113 no 100.0 0.0 0.000 0.004 0.004 9 4 no 0.080 0 0
1 47 VAL QG 7 no 60.0 39.3 1.494 3.805 2.312 40 16 yes 2.113 12 38
1 48 VAL QG 26 no 100.0 99.4 2.356 2.371 0.015 23 11 no 0.152 0 0
1 49 PRO QB 136 no 100.0 100.0 0.090 0.090 0.000 6 1 yes 1.066 1 1
1 49 PRO QD 132 no 65.0 94.8 0.194 0.205 0.011 7 4 no 0.061 0 0
1 49 PRO QG 155 no 90.0 99.8 0.362 0.363 0.001 5 2 no 0.085 0 0
1 51 ARG QB 85 yes 100.0 99.5 1.706 1.714 0.008 11 0 no 0.121 0 0
1 51 ARG QD 88 no 40.0 90.1 0.062 0.069 0.007 11 2 no 0.114 0 0
1 51 ARG QG 87 no 100.0 77.4 0.002 0.003 0.001 11 1 no 0.187 0 0
1 52 ILE QG 103 yes 75.0 56.2 0.827 1.471 0.645 10 3 no 0.904 0 4
1 53 LEU QB 64 yes 100.0 94.7 1.297 1.370 0.072 14 9 no 0.102 0 0
1 53 LEU QD 17 no 55.0 55.7 4.806 8.629 3.822 28 12 yes 2.547 21 24
1 54 LEU QB 81 no 100.0 99.8 0.891 0.893 0.002 12 7 no 0.078 0 0
1 54 LEU QD 16 yes 100.0 79.5 2.678 3.370 0.692 28 10 no 0.904 0 3
1 55 SER QB 135 yes 75.0 68.8 0.880 1.278 0.399 6 1 yes 1.743 4 4
1 56 PRO QB 154 no 100.0 0.0 0.000 0.000 0.000 5 2 no 0.000 0 0
1 57 CYS QB 70 yes 90.0 89.2 0.273 0.307 0.033 13 6 no 0.000 0 0
1 59 ASN QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 59 ASN QD 173 no 100.0 99.4 0.070 0.070 0.000 2 0 no 0.870 0 1
1 61 VAL QG 11 no 75.0 70.2 4.124 5.878 1.754 34 13 yes 1.642 11 18
1 62 SER QB 142 no 100.0 0.0 0.000 0.187 0.187 6 2 no 0.000 0 0
1 64 VAL QG 18 no 60.0 16.2 0.393 2.428 2.035 26 5 yes 2.358 14 29
1 65 LYS QB 115 no 90.0 43.2 2.824 6.544 3.720 9 6 no 0.379 0 0
1 66 VAL QG 10 yes 75.0 63.1 7.770 12.321 4.551 35 6 yes 2.356 31 48
1 67 GLY QA 153 no 100.0 99.8 1.888 1.891 0.003 5 2 no 0.094 0 0
1 68 PHE QB 93 no 100.0 23.5 1.711 7.288 5.577 11 4 no 0.025 0 0
1 71 VAL QG 55 no 60.0 42.6 0.540 1.267 0.727 14 1 yes 1.100 4 28
1 73 ASP QB 27 no 70.0 100.0 0.172 0.172 0.000 22 3 no 0.000 0 0
1 74 SER QB 109 no 65.0 82.6 0.059 0.072 0.013 9 0 yes 1.106 1 1
1 75 HIS QB 84 no 70.0 97.8 0.046 0.047 0.001 11 0 no 0.087 0 0
1 76 ASN QB 76 no 75.0 67.5 0.076 0.112 0.037 12 3 no 0.677 0 3
1 76 ASN QD 161 yes 100.0 97.3 0.177 0.182 0.005 4 0 no 0.081 0 0
1 78 ASN QD 107 no 100.0 99.6 3.518 3.532 0.014 10 6 no 0.284 0 0
1 79 LEU QB 61 no 65.0 80.9 0.305 0.377 0.072 14 6 no 0.969 0 8
1 79 LEU QD 152 no 70.0 79.8 0.129 0.162 0.033 5 2 no 0.809 0 1
1 80 LEU QB 33 yes 100.0 99.7 1.744 1.750 0.006 20 3 no 0.096 0 0
1 80 LEU QD 3 no 60.0 32.0 2.234 6.979 4.745 42 8 yes 2.171 18 36
1 82 LEU QB 47 yes 95.0 77.7 0.775 0.998 0.223 16 2 yes 1.806 1 2
1 82 LEU QD 9 yes 80.0 74.5 8.033 10.787 2.754 36 10 yes 2.326 10 20
1 83 GLU QG 28 yes 95.0 92.2 0.192 0.208 0.016 22 6 no 0.274 0 0
1 84 ASN QB 96 no 80.0 66.5 0.006 0.009 0.003 10 0 no 0.222 0 0
1 84 ASN QD 169 yes 100.0 99.6 0.242 0.243 0.001 3 0 no 0.096 0 0
1 86 VAL QG 75 no 40.0 1.7 0.061 3.694 3.633 12 1 yes 2.043 20 43
1 87 SER QB 98 no 85.0 52.8 0.233 0.442 0.209 10 1 yes 1.227 1 2
1 90 SER QB 34 no 100.0 99.5 1.615 1.623 0.008 20 4 no 0.098 0 0
1 91 GLY QA 38 no 100.0 94.5 0.091 0.097 0.005 18 8 no 0.086 0 0
1 92 LEU QB 160 yes 95.0 99.6 0.627 0.629 0.002 4 0 no 0.079 0 0
1 92 LEU QD 1 no 100.0 69.3 10.771 15.535 4.764 58 15 yes 1.580 1 3
1 93 GLY QA 68 yes 100.0 93.8 1.657 1.767 0.110 13 5 no 0.088 0 0
1 94 ILE QG 101 no 100.0 81.0 2.069 2.555 0.486 10 2 no 0.062 0 0
1 95 GLN QB 121 yes 85.0 92.2 0.802 0.869 0.068 8 4 no 0.692 0 2
1 95 GLN QE 131 no 55.0 45.5 0.034 0.074 0.040 7 4 no 0.151 0 0
1 96 LEU QB 92 yes 75.0 61.6 2.291 3.721 1.430 11 4 no 0.886 0 5
1 96 LEU QD 4 no 60.0 59.2 7.510 12.686 5.176 42 10 yes 2.572 52 98
1 97 LEU QB 67 yes 90.0 62.7 0.350 0.558 0.208 13 4 no 0.072 0 0
1 97 LEU QD 8 no 55.0 0.6 0.050 8.551 8.500 39 15 yes 2.342 49 93
1 98 ASN QB 100 no 90.0 89.2 1.827 2.049 0.221 10 2 yes 1.324 2 2
1 98 ASN QD 37 no 100.0 98.1 4.562 4.651 0.089 19 10 no 0.843 0 2
1 99 GLU QB 52 no 55.0 77.9 0.048 0.062 0.014 15 4 no 0.488 0 0
1 99 GLU QG 60 no 85.0 23.4 0.499 2.127 1.628 14 6 no 0.992 0 1
1 100 GLN QB 71 no 100.0 93.9 3.320 3.534 0.214 13 8 yes 1.523 2 2
1 100 GLN QE 116 no 100.0 99.8 2.299 2.303 0.004 9 7 no 0.088 0 0
1 100 GLN QG 63 no 95.0 78.3 1.347 1.719 0.373 14 8 no 0.992 0 3
1 101 GLN QB 117 yes 100.0 98.6 3.870 3.925 0.055 9 8 no 0.084 0 0
1 101 GLN QE 157 no 0.0 0.0 0.000 0.038 0.038 5 3 no 0.000 0 0
1 101 GLN QG 50 yes 75.0 52.0 0.670 1.289 0.619 16 7 yes 1.787 2 4
1 102 ASN QB 72 no 95.0 93.2 0.968 1.038 0.071 13 9 no 0.839 0 2
1 102 ASN QD 149 no 95.0 99.7 2.084 2.090 0.006 5 1 no 0.085 0 0
1 103 GLN QB 82 no 95.0 0.7 0.008 1.150 1.142 12 8 no 0.209 0 0
1 103 GLN QE 54 no 95.0 98.4 1.267 1.287 0.020 15 9 no 0.236 0 0
1 103 GLN QG 141 no 65.0 70.3 1.530 2.176 0.646 6 2 no 0.362 0 0
1 105 PRO QB 102 yes 100.0 67.2 4.569 6.796 2.227 10 3 no 0.045 0 0
1 105 PRO QD 129 no 100.0 43.2 0.611 1.416 0.804 7 2 no 0.074 0 0
1 106 LEU QB 66 no 95.0 86.7 0.479 0.552 0.073 13 3 yes 1.107 1 1
1 106 LEU QD 6 yes 90.0 88.9 11.116 12.502 1.386 40 13 yes 1.671 9 16
1 107 ASN QB 127 no 75.0 94.9 0.224 0.235 0.012 7 1 no 0.092 0 0
1 107 ASN QD 41 no 20.0 55.8 0.181 0.324 0.143 17 3 no 0.207 0 0
1 109 PRO QD 95 yes 100.0 99.4 1.031 1.037 0.006 10 0 no 0.093 0 0
1 110 SER QB 140 no 55.0 6.5 0.047 0.730 0.683 6 2 no 0.825 0 4
1 111 SER QB 168 no 100.0 0.0 0.000 0.000 0.000 3 0 no 0.000 0 0
1 113 LEU QB 126 yes 95.0 92.7 3.402 3.671 0.269 7 1 no 0.106 0 0
1 113 LEU QD 14 no 65.0 62.8 7.610 12.119 4.509 31 9 yes 2.678 55 81
1 114 SER QB 148 no 65.0 52.2 0.187 0.358 0.171 5 1 no 0.843 0 5
1 115 TRP QB 125 no 95.0 49.4 0.073 0.148 0.075 7 1 no 0.843 0 5
1 118 LEU QB 91 yes 95.0 58.8 1.930 3.283 1.353 11 4 no 0.102 0 0
1 118 LEU QD 12 no 65.0 27.7 3.042 10.984 7.942 33 9 yes 2.465 61 115
1 120 PRO QD 119 no 100.0 81.4 5.926 7.276 1.350 8 2 yes 1.356 2 5
1 121 GLY QA 162 no 60.0 86.2 0.013 0.016 0.002 4 1 no 0.075 0 0
1 122 LYS QB 79 no 45.0 63.7 0.490 0.769 0.279 12 6 yes 1.439 8 12
1 122 LYS QD 69 no 55.0 4.0 0.079 1.975 1.896 13 6 yes 1.848 11 20
1 122 LYS QG 106 no 95.0 26.9 0.002 0.006 0.004 10 4 no 0.333 0 0
1 123 PRO QD 73 yes 100.0 37.8 0.325 0.860 0.535 13 11 no 0.000 0 0
1 124 ASN QB 112 no 65.0 24.5 0.101 0.413 0.312 9 4 no 0.073 0 0
1 124 ASN QD 172 no 100.0 100.0 0.021 0.021 0.000 2 0 no 0.578 0 1
1 126 LEU QB 97 no 30.0 64.2 0.025 0.039 0.014 10 1 no 0.516 0 1
1 126 LEU QD 32 no 65.0 5.5 0.027 0.484 0.458 20 1 yes 1.310 2 11
1 127 ASN QB 114 no 40.0 99.9 0.532 0.533 0.001 9 5 no 0.077 0 0
1 127 ASN QD 128 yes 85.0 87.6 1.589 1.814 0.224 7 2 yes 1.763 2 2
1 129 TYR QB 45 no 100.0 78.7 7.020 8.921 1.902 17 10 no 0.101 0 0
1 131 ARG QB 99 no 100.0 99.8 0.494 0.496 0.001 10 2 no 0.109 0 0
1 132 LEU QB 44 no 80.0 46.6 0.605 1.298 0.693 17 8 no 0.891 0 7
1 132 LEU QD 19 no 65.0 41.0 0.917 2.239 1.322 26 7 yes 1.408 10 24
1 133 MET QB 133 no 100.0 96.2 0.001 0.001 0.000 6 0 no 0.126 0 0
1 133 MET QG 108 no 95.0 92.6 2.701 2.916 0.215 9 0 yes 1.582 2 3
1 136 GLN QB 36 no 75.0 41.2 0.119 0.289 0.170 19 8 no 0.095 0 0
1 136 GLN QE 89 yes 95.0 99.4 1.072 1.079 0.007 11 3 no 0.094 0 0
1 137 VAL QG 20 no 70.0 54.0 4.344 8.042 3.699 26 11 yes 2.245 59 102
1 138 PRO QD 165 no 100.0 0.0 0.000 0.000 0.000 4 3 no 0.000 0 0
1 139 VAL QG 23 yes 100.0 97.1 17.261 17.773 0.512 23 5 no 0.111 0 0
1 142 GLY QA 123 no 95.0 99.5 1.193 1.199 0.006 7 0 no 0.082 0 0
1 143 HIS QB 78 no 35.0 11.0 0.044 0.405 0.361 12 5 no 0.713 0 3
1 144 ILE QG 57 no 70.0 50.2 0.648 1.291 0.642 14 2 yes 1.440 3 5
1 145 ASN QB 30 yes 90.0 84.7 2.109 2.491 0.382 21 5 yes 1.734 2 5
1 145 ASN QD 90 no 75.0 44.8 0.282 0.630 0.348 11 4 yes 1.473 3 3
1 152 LEU QB 147 no 30.0 2.0 0.001 0.065 0.063 5 1 no 0.367 0 0
1 152 LEU QD 21 yes 85.0 79.9 16.048 20.094 4.046 25 6 yes 2.481 19 22
1 153 GLU QB 139 yes 90.0 95.3 0.154 0.162 0.008 6 2 no 0.379 0 0
1 154 TYR QB 156 yes 90.0 74.7 2.243 3.001 0.758 5 3 no 0.322 0 0
1 164 LYS QB 178 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 164 LYS QE 166 no 100.0 100.0 0.004 0.004 0.000 4 4 no 0.223 0 0
1 164 LYS QG 105 no 65.0 49.3 0.069 0.140 0.071 10 4 no 0.633 0 2
1 165 GLN QB 122 no 55.0 69.7 0.012 0.017 0.005 7 0 no 0.099 0 0
1 165 GLN QE 124 no 65.0 70.5 0.251 0.356 0.105 7 1 yes 1.724 2 3
1 167 ASP QB 159 no 15.0 13.3 0.000 0.004 0.003 4 0 no 0.235 0 0
1 168 SER QB 56 yes 85.0 75.3 0.581 0.772 0.191 14 2 yes 1.434 2 2
1 170 ILE QG 46 yes 95.0 99.5 1.245 1.251 0.007 16 1 no 0.111 0 0
1 172 ILE QG 40 yes 100.0 99.5 1.646 1.653 0.008 17 3 no 0.099 0 0
1 173 ARG QB 110 no 40.0 66.6 0.011 0.016 0.005 9 1 no 0.549 0 1
1 173 ARG QD 83 no 80.0 73.1 0.313 0.428 0.115 11 0 yes 1.128 1 2
1 173 ARG QG 86 yes 80.0 62.3 0.145 0.233 0.088 11 1 no 0.992 0 2
1 174 GLY QA 111 no 100.0 85.7 0.026 0.030 0.004 9 2 no 0.292 0 0
1 175 TYR QB 39 no 100.0 86.0 4.353 5.061 0.708 18 10 yes 1.276 6 12
1 176 VAL QG 2 yes 85.0 88.8 7.827 8.813 0.986 42 8 yes 1.915 6 14
1 177 ARG QB 42 no 100.0 8.5 0.285 3.334 3.049 17 5 yes 1.812 27 32
1 177 ARG QD 43 no 65.0 75.4 0.671 0.890 0.219 17 6 yes 1.008 1 9
1 177 ARG QG 24 no 95.0 90.6 2.201 2.430 0.229 23 6 yes 1.538 1 3
1 177 ARG QH2 171 no 45.0 0.2 0.017 6.802 6.785 3 2 yes 2.866 16 42
1 178 ASP QB 48 no 100.0 15.7 0.126 0.806 0.679 16 3 no 0.084 0 0
1 179 ASN QB 145 no 75.0 38.9 0.131 0.337 0.206 5 0 yes 1.219 3 3
1 179 ASN QD 167 no 90.0 99.7 0.817 0.819 0.003 3 0 no 0.091 0 0
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