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 |
|
|
647017 |
6s3w   |
27397 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_6s3w
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 178
_Stereo_assign_list.Swap_count 64
_Stereo_assign_list.Swap_percentage 36.0
_Stereo_assign_list.Deassign_count 37
_Stereo_assign_list.Deassign_percentage 20.8
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 149.784
_Stereo_assign_list.Total_e_high_states 960.012
_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 ASP QB 144 yes 80.0 87.8 0.225 0.256 0.031 8 0 no 0.500 0 1
1 3 PRO QB 167 no 100.0 100.0 0.068 0.068 0.000 3 1 no 0.199 0 0
1 3 PRO QG 163 yes 100.0 94.4 1.310 1.389 0.078 4 2 yes 1.012 1 2
1 4 LEU QB 162 no 100.0 100.0 0.053 0.053 0.000 4 2 no 0.368 0 0
1 5 VAL QG 131 no 85.0 92.4 6.819 7.379 0.560 11 3 no 0.985 0 16
1 6 ILE QG 125 yes 90.0 89.8 5.507 6.134 0.627 12 4 yes 1.757 4 5
1 7 SER QB 116 no 75.0 27.4 0.230 0.840 0.610 14 4 yes 1.481 6 9
1 8 SER QB 166 no 65.0 70.4 1.049 1.489 0.440 3 0 yes 1.735 11 15
1 9 GLY QA 104 no 60.0 26.4 0.061 0.233 0.171 16 5 no 0.507 0 1
1 10 ASN QB 117 no 85.0 76.6 0.233 0.304 0.071 14 6 no 0.602 0 2
1 10 ASN QD 148 no 90.0 61.8 0.050 0.081 0.031 8 6 no 0.490 0 0
1 11 ASP QB 143 no 75.0 50.9 0.054 0.106 0.052 8 0 no 0.298 0 0
1 12 ARG QB 174 no 55.0 84.5 0.153 0.182 0.028 2 0 no 0.491 0 0
1 12 ARG QD 173 no 40.0 56.5 0.153 0.271 0.118 2 0 no 0.629 0 3
1 12 ARG QG 156 no 65.0 36.3 0.139 0.382 0.243 6 0 no 0.827 0 12
2 5 LEU QB 161 yes 80.0 64.6 0.192 0.297 0.105 4 0 no 0.684 0 4
2 7 GLU QB 172 no 60.0 12.0 0.047 0.391 0.344 2 0 no 0.699 0 18
2 7 GLU QG 160 no 15.0 97.6 0.068 0.070 0.002 4 0 no 0.135 0 0
2 11 ASP QB 155 no 80.0 71.3 0.013 0.018 0.005 6 0 no 0.137 0 0
2 14 GLU QB 154 no 75.0 76.1 0.372 0.489 0.117 6 0 no 0.517 0 2
2 15 ARG QB 102 no 45.0 32.6 0.573 1.756 1.183 16 4 no 0.800 0 3
2 15 ARG QD 165 yes 85.0 81.8 0.860 1.051 0.191 4 4 no 0.800 0 3
2 16 GLN QB 178 no 90.0 36.1 0.006 0.018 0.011 2 2 no 0.342 0 0
2 16 GLN QG 171 no 10.0 25.4 0.003 0.011 0.008 2 0 no 0.220 0 0
2 17 GLN QB 177 yes 100.0 86.7 0.116 0.134 0.018 2 2 no 0.342 0 0
2 19 LEU QB 153 yes 95.0 66.5 0.338 0.508 0.170 6 0 yes 1.209 2 2
2 21 ASP QB 134 yes 90.0 92.7 1.572 1.696 0.124 10 0 no 0.781 0 4
2 22 GLU QB 139 no 70.0 48.9 0.253 0.517 0.264 9 0 yes 0.617 0 28
2 22 GLU QG 170 no 55.0 72.1 0.016 0.023 0.006 2 0 no 0.340 0 0
2 23 VAL QG 169 no 100.0 100.0 3.097 3.097 0.000 2 0 no 0.000 0 0
2 26 GLU QB 66 yes 90.0 91.6 2.948 3.218 0.270 25 6 no 0.698 0 2
2 26 GLU QG 110 yes 95.0 81.6 1.114 1.365 0.251 15 5 no 0.657 0 3
2 27 VAL QG 67 no 80.0 70.8 4.536 6.408 1.873 25 7 yes 1.612 12 16
2 29 GLY QA 84 yes 100.0 98.9 3.037 3.072 0.035 21 11 no 0.226 0 0
2 30 SER QB 90 no 35.0 20.3 0.068 0.338 0.269 19 4 no 0.455 0 0
2 31 LEU QB 126 no 100.0 99.1 10.284 10.380 0.096 12 5 no 0.307 0 0
2 31 LEU QD 48 no 100.0 98.5 49.580 50.311 0.731 30 16 no 0.274 0 0
2 32 ASP QB 101 no 75.0 80.6 0.393 0.488 0.095 16 0 no 0.400 0 0
2 33 ASP QB 114 no 90.0 60.5 0.280 0.463 0.183 14 0 no 0.369 0 0
2 34 LEU QB 9 yes 100.0 72.7 6.740 9.275 2.536 47 15 no 0.343 0 0
2 34 LEU QD 30 no 100.0 98.9 25.310 25.602 0.292 36 21 no 0.455 0 0
2 35 ILE QG 123 yes 100.0 97.4 2.036 2.090 0.054 12 0 no 0.204 0 0
2 36 VAL QG 15 no 100.0 93.4 61.930 66.304 4.375 42 3 no 0.325 0 0
2 37 ASN QB 17 yes 100.0 88.7 2.988 3.367 0.379 42 17 no 0.343 0 0
2 37 ASN QD 76 no 100.0 98.8 1.825 1.848 0.023 22 11 no 0.126 0 0
2 38 LEU QB 19 no 100.0 95.7 2.356 2.462 0.107 40 11 no 0.272 0 0
2 38 LEU QD 53 no 100.0 99.8 17.470 17.508 0.038 29 17 no 0.181 0 0
2 39 VAL QG 21 no 100.0 99.8 32.713 32.773 0.060 39 4 no 0.239 0 0
2 40 SER QB 97 yes 80.0 88.6 0.943 1.064 0.122 17 4 no 0.538 0 1
2 41 GLN QB 158 yes 100.0 100.0 1.992 1.992 0.000 5 0 no 0.000 0 0
2 42 GLN QB 16 no 100.0 97.1 6.268 6.458 0.189 42 16 no 0.244 0 0
2 42 GLN QE 147 no 80.0 64.6 1.282 1.984 0.702 8 6 yes 1.311 8 8
2 42 GLN QG 50 yes 80.0 62.4 1.694 2.715 1.021 30 20 yes 1.399 8 16
2 43 TRP QB 25 no 100.0 95.2 7.639 8.022 0.383 37 3 no 0.507 0 1
2 44 ARG QG 152 no 40.0 54.9 0.007 0.013 0.006 6 0 no 0.149 0 0
2 45 ARG QB 108 no 40.0 98.2 0.249 0.254 0.005 16 14 no 0.236 0 0
2 45 ARG QG 78 no 40.0 34.3 0.344 1.005 0.661 22 16 yes 1.305 13 14
2 46 PRO QB 176 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
2 46 PRO QD 47 yes 100.0 99.1 4.707 4.750 0.043 30 16 no 0.236 0 0
2 46 PRO QG 57 no 95.0 95.7 0.341 0.356 0.015 28 8 no 0.322 0 0
2 47 PRO QB 135 no 95.0 76.6 0.472 0.616 0.144 10 2 no 0.429 0 0
2 47 PRO QD 164 no 100.0 100.0 0.065 0.065 0.000 4 4 no 0.000 0 0
2 47 PRO QG 106 no 50.0 35.3 0.393 1.113 0.721 16 6 yes 0.661 0 21
2 48 SER QB 130 no 100.0 99.6 0.049 0.049 0.000 11 2 no 0.027 0 0
2 50 ARG QB 70 no 100.0 61.8 1.090 1.762 0.672 24 14 no 0.047 0 0
2 50 ARG QD 49 no 75.0 27.9 0.067 0.242 0.174 30 18 no 0.460 0 0
2 50 ARG QG 132 yes 100.0 100.0 2.325 2.325 0.000 11 6 no 0.045 0 0
2 51 ASN QB 59 no 90.0 35.9 0.236 0.656 0.421 28 12 no 0.275 0 0
2 51 ASN QD 77 yes 100.0 97.5 0.927 0.951 0.024 22 14 no 0.224 0 0
2 52 GLY QA 82 yes 90.0 38.8 3.675 9.462 5.787 21 10 yes 1.754 10 12
2 53 MET QB 36 yes 75.0 76.6 1.317 1.720 0.403 33 8 no 0.685 0 10
2 53 MET QG 81 yes 75.0 63.6 5.798 9.119 3.320 21 10 yes 1.186 12 45
2 54 SER QB 6 no 95.0 38.4 2.497 6.504 4.007 51 14 no 0.499 0 0
2 55 VAL QG 11 no 85.0 80.2 25.219 31.437 6.219 45 8 yes 2.187 36 52
2 56 GLU QB 51 yes 100.0 97.5 10.859 11.142 0.283 29 7 no 0.033 0 0
2 56 GLU QG 91 no 90.0 92.6 4.813 5.199 0.386 19 8 yes 1.231 2 8
2 57 VAL QG 35 no 100.0 99.9 25.067 25.093 0.026 33 6 no 0.141 0 0
2 58 LEU QB 58 no 65.0 23.3 0.117 0.500 0.383 28 11 no 0.468 0 0
2 58 LEU QD 2 no 100.0 96.6 59.384 61.455 2.072 63 37 no 0.424 0 0
2 59 ILE QG 61 yes 95.0 76.3 1.315 1.724 0.408 26 0 no 0.876 0 4
2 60 GLU QB 7 yes 100.0 97.6 5.682 5.820 0.137 49 25 no 0.272 0 0
2 60 GLU QG 37 yes 100.0 95.3 3.476 3.647 0.171 33 18 no 0.415 0 0
2 61 MET QB 28 no 100.0 82.8 0.927 1.120 0.193 36 12 no 0.157 0 0
2 61 MET QG 18 no 100.0 92.6 1.034 1.117 0.083 41 8 no 0.249 0 0
2 62 LEU QB 105 yes 75.0 55.5 3.498 6.301 2.803 16 6 yes 1.754 25 25
2 62 LEU QD 62 yes 90.0 95.5 7.117 7.456 0.339 26 12 yes 1.054 1 11
2 63 PRO QB 145 no 100.0 100.0 0.028 0.028 0.000 8 2 no 0.136 0 0
2 63 PRO QD 85 no 100.0 94.7 0.501 0.529 0.028 21 15 no 0.307 0 0
2 63 PRO QG 112 no 100.0 90.5 0.643 0.711 0.067 15 7 no 0.216 0 0
2 64 ASP QB 98 yes 75.0 21.9 0.124 0.565 0.442 17 6 no 0.948 0 12
2 65 GLY QA 23 yes 100.0 91.9 0.986 1.073 0.087 39 9 no 0.246 0 0
2 69 ASN QB 5 yes 90.0 69.7 0.647 0.928 0.281 57 34 no 0.415 0 0
2 69 ASN QD 120 yes 100.0 93.0 0.137 0.148 0.010 13 9 no 0.155 0 0
2 71 SER QB 94 yes 100.0 96.2 6.626 6.885 0.259 18 0 no 0.313 0 0
2 72 VAL QG 10 no 100.0 93.0 37.087 39.872 2.784 46 16 yes 2.336 6 22
2 73 SER QB 45 yes 90.0 23.1 3.265 14.109 10.844 30 13 yes 1.122 2 11
2 74 ARG QB 128 no 60.0 45.2 0.438 0.969 0.531 12 6 no 0.428 0 0
2 74 ARG QD 111 no 50.0 14.2 0.126 0.887 0.762 15 6 yes 0.899 0 24
2 75 SER QB 115 yes 95.0 93.3 0.279 0.299 0.020 14 3 no 0.372 0 0
2 76 SER QB 40 yes 85.0 2.1 0.153 7.146 6.993 31 4 yes 1.883 19 20
2 77 GLY QA 119 yes 100.0 98.9 0.272 0.275 0.003 13 0 no 0.077 0 0
2 78 ASP QB 13 yes 85.0 85.7 1.161 1.356 0.194 44 9 no 0.459 0 0
2 79 LYS QB 175 no 100.0 92.3 0.414 0.449 0.035 2 2 no 0.000 0 0
2 79 LYS QE 168 no 95.0 80.4 0.015 0.019 0.004 2 0 no 0.423 0 0
2 79 LYS QG 31 yes 75.0 43.6 0.598 1.370 0.772 34 0 yes 1.488 6 6
2 80 PRO QB 95 no 100.0 98.7 8.950 9.064 0.115 18 5 no 0.200 0 0
2 80 PRO QD 60 no 100.0 97.3 1.949 2.003 0.054 28 13 no 0.198 0 0
2 80 PRO QG 118 no 100.0 98.8 0.078 0.079 0.001 14 10 no 0.059 0 0
2 81 PHE QB 26 yes 100.0 97.8 0.888 0.908 0.020 37 11 no 0.248 0 0
2 82 ASP QB 92 no 70.0 60.0 0.485 0.808 0.324 19 9 no 0.457 0 0
2 83 SER QB 86 no 70.0 76.8 4.534 5.902 1.369 20 4 yes 1.650 42 59
2 84 SER QB 151 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
2 86 VAL QG 89 no 100.0 99.6 22.627 22.728 0.101 19 2 no 0.189 0 0
2 89 VAL QG 44 no 100.0 99.6 17.897 17.976 0.079 30 2 no 0.270 0 0
2 90 ARG QB 141 no 100.0 99.4 4.612 4.640 0.028 9 5 no 0.174 0 0
2 90 ARG QD 22 yes 100.0 90.3 1.049 1.163 0.113 39 8 no 0.323 0 0
2 90 ARG QG 74 yes 100.0 95.9 1.944 2.028 0.084 23 7 no 0.187 0 0
2 91 ASN QB 27 no 85.0 65.6 0.057 0.087 0.030 36 12 no 0.240 0 0
2 91 ASN QD 149 no 100.0 91.6 0.226 0.247 0.021 8 8 no 0.149 0 0
2 92 VAL QG 32 no 100.0 99.7 24.996 25.067 0.071 34 6 no 0.242 0 0
2 93 GLY QA 72 no 100.0 85.4 1.127 1.320 0.192 23 0 no 0.315 0 0
2 94 ARG QD 122 no 70.0 87.9 1.598 1.818 0.220 12 0 yes 1.142 24 32
2 95 ILE QG 109 yes 75.0 62.1 2.820 4.543 1.722 15 2 yes 1.018 2 20
2 96 PRO QB 127 yes 80.0 72.5 1.031 1.421 0.390 12 6 no 0.400 0 0
2 96 PRO QD 71 no 80.0 65.8 6.649 10.103 3.453 24 17 yes 1.946 10 16
2 96 PRO QG 107 no 55.0 19.1 0.156 0.819 0.662 16 11 no 0.725 0 27
2 97 GLU QB 99 no 55.0 93.6 1.292 1.379 0.088 17 8 yes 1.510 16 22
2 97 GLU QG 93 no 85.0 71.3 0.718 1.007 0.289 19 14 no 0.840 0 6
2 98 MET QB 136 no 100.0 95.8 1.829 1.910 0.081 10 5 no 0.106 0 0
2 98 MET QG 34 no 60.0 61.9 0.328 0.530 0.202 33 6 no 0.493 0 0
2 99 GLN QB 88 yes 100.0 91.6 1.274 1.390 0.116 20 8 no 0.172 0 0
2 99 GLN QE 137 no 55.0 19.1 0.111 0.583 0.472 10 8 no 0.948 0 12
2 99 GLN QG 63 no 100.0 37.2 0.093 0.250 0.157 26 14 no 0.319 0 0
2 100 GLN QB 124 no 95.0 89.0 0.791 0.888 0.098 12 2 no 0.361 0 0
2 100 GLN QG 80 yes 95.0 90.4 2.132 2.359 0.227 21 2 no 0.803 0 2
2 101 LEU QB 20 yes 100.0 89.6 2.135 2.383 0.248 40 17 no 0.440 0 0
2 101 LEU QD 3 no 85.0 89.0 39.113 43.932 4.819 61 19 yes 2.150 30 45
2 102 PRO QB 12 no 100.0 89.1 1.309 1.469 0.161 45 17 no 0.275 0 0
2 102 PRO QD 8 no 100.0 49.8 1.556 3.127 1.571 48 32 no 0.275 0 0
2 102 PRO QG 29 yes 100.0 72.1 5.940 8.234 2.294 36 21 no 0.202 0 0
2 103 ARG QB 69 no 55.0 58.1 0.485 0.835 0.350 24 11 no 0.603 0 11
2 103 ARG QD 33 no 50.0 86.1 0.587 0.681 0.094 34 22 yes 1.402 4 11
2 103 ARG QG 83 no 45.0 5.7 0.008 0.132 0.124 21 11 no 0.255 0 0
2 106 PHE QB 54 no 100.0 99.5 2.212 2.223 0.011 28 4 no 0.131 0 0
2 107 ASP QB 65 yes 100.0 94.0 0.797 0.848 0.051 25 0 no 0.184 0 0
2 108 SER QB 87 yes 100.0 95.8 5.207 5.434 0.227 20 8 no 0.157 0 0
2 109 LEU QB 14 no 100.0 79.4 2.747 3.460 0.713 44 14 no 0.157 0 0
2 109 LEU QD 1 no 100.0 68.7 16.669 24.259 7.590 66 20 yes 1.182 2 2
2 110 TYR QB 43 no 100.0 100.0 0.802 0.802 0.000 30 0 no 0.000 0 0
2 111 ARG QB 56 no 85.0 93.7 6.236 6.658 0.422 28 6 no 0.982 0 12
2 111 ARG QD 42 no 65.0 28.6 0.062 0.217 0.155 31 21 no 0.296 0 0
2 111 ARG QG 52 no 80.0 78.6 0.929 1.182 0.252 29 15 no 0.587 0 6
2 112 GLN QB 75 no 100.0 93.9 1.382 1.472 0.090 22 6 no 0.227 0 0
2 112 GLN QE 64 no 100.0 92.5 11.328 12.248 0.920 26 20 no 0.285 0 0
2 112 GLN QG 157 yes 100.0 100.0 1.961 1.962 0.000 6 4 no 0.035 0 0
2 113 ARG QB 68 yes 95.0 75.2 1.749 2.327 0.577 24 8 yes 0.833 0 25
2 113 ARG QD 38 no 25.0 41.1 0.181 0.440 0.259 32 9 no 0.976 0 10
2 113 ARG QG 113 no 70.0 84.7 0.819 0.967 0.148 15 11 yes 0.778 0 25
2 114 ARG QB 150 no 95.0 46.9 0.361 0.771 0.410 7 5 no 0.712 0 1
2 114 ARG QD 146 yes 75.0 62.5 0.354 0.566 0.212 8 4 no 0.917 0 4
2 114 ARG QG 138 yes 95.0 95.3 2.643 2.772 0.129 9 0 no 0.771 0 2
2 115 ILE QG 79 yes 100.0 97.4 5.453 5.599 0.146 21 2 no 0.279 0 0
2 116 ILE QG 103 yes 95.0 93.3 3.849 4.127 0.278 16 5 no 0.588 0 2
2 117 PHE QB 73 yes 100.0 13.8 0.232 1.686 1.454 23 4 no 0.001 0 0
2 118 LYS QB 24 yes 85.0 48.1 0.524 1.089 0.565 38 20 no 0.968 0 6
2 118 LYS QE 133 yes 75.0 71.0 4.156 5.857 1.700 11 9 no 0.968 0 24
2 118 LYS QG 41 yes 90.0 95.9 3.212 3.348 0.136 31 16 yes 1.753 4 4
2 119 PRO QB 46 no 100.0 79.6 14.544 18.282 3.737 30 16 no 0.138 0 0
2 119 PRO QD 96 no 5.0 50.6 0.007 0.014 0.007 18 8 no 0.083 0 0
2 119 PRO QG 39 yes 100.0 47.6 0.474 0.998 0.523 32 23 no 0.333 0 0
2 120 GLU QB 129 no 65.0 8.9 0.010 0.115 0.105 11 0 no 0.330 0 0
2 120 GLU QG 159 no 45.0 33.3 0.466 1.397 0.932 5 4 yes 1.301 3 7
2 121 ASP QB 121 no 65.0 41.9 0.039 0.093 0.054 12 0 no 0.284 0 0
2 122 LEU QB 55 yes 95.0 72.2 1.585 2.196 0.611 28 6 no 0.240 0 0
2 122 LEU QD 4 no 100.0 88.9 36.738 41.337 4.599 60 21 no 0.240 0 0
2 123 SER QB 142 yes 80.0 53.8 11.355 21.087 9.732 9 6 yes 1.508 12 25
2 124 LEU QB 100 no 70.0 24.9 5.019 20.120 15.102 17 13 yes 3.092 52 72
2 124 LEU QD 140 no 75.0 65.3 7.127 10.908 3.781 9 5 yes 2.060 3 9
stop_
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