NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561363 |
3zgp   |
18911 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_3zgp
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 184
_Stereo_assign_list.Swap_count 83
_Stereo_assign_list.Swap_percentage 45.1
_Stereo_assign_list.Deassign_count 177
_Stereo_assign_list.Deassign_percentage 96.2
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 1190.845
_Stereo_assign_list.Total_e_high_states 1515.648
_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 HIS QB 133 no 85.0 22.6 0.513 2.275 1.762 14 3 yes 1.639 4 42
1 3 MET QB 31 no 20.0 0.9 0.042 4.927 4.885 29 9 yes 1.809 37 99
1 3 MET QG 77 no 95.0 36.0 1.351 3.748 2.397 22 10 yes 1.568 2 135
1 4 GLU QB 75 no 70.0 24.1 0.762 3.156 2.394 22 8 yes 1.766 8 55
1 4 GLU QG 123 no 80.0 0.0 0.000 0.279 0.279 16 8 no 0.702 0 3
1 5 ASP QB 141 no 10.0 0.1 0.002 2.499 2.497 13 0 yes 1.237 22 42
1 7 TYR QB 103 no 100.0 21.6 2.536 11.717 9.182 19 3 yes 1.517 98 180
1 8 ILE QG 174 yes 100.0 27.1 5.182 19.088 13.907 6 0 yes 3.663 20 61
1 9 GLU QB 100 no 70.0 3.4 0.129 3.844 3.715 20 8 yes 1.021 14 179
1 9 GLU QG 99 no 65.0 7.2 0.266 3.692 3.426 20 8 yes 0.914 0 114
1 10 VAL QG 106 no 100.0 31.7 3.650 11.523 7.874 18 0 yes 1.423 76 163
1 11 ASP QB 111 yes 100.0 48.9 6.492 13.265 6.773 17 0 yes 1.392 47 140
1 12 LEU QB 60 no 100.0 4.0 0.397 9.850 9.453 25 8 yes 1.325 100 259
1 12 LEU QD 16 yes 100.0 30.8 3.523 11.449 7.926 33 10 yes 1.202 30 198
1 13 GLU QB 87 yes 100.0 45.2 0.725 1.604 0.879 21 6 yes 0.844 0 20
1 13 GLU QG 116 no 100.0 57.9 1.707 2.947 1.240 17 8 yes 1.121 7 26
1 14 ASN QB 121 yes 100.0 19.0 1.769 9.317 7.548 16 6 yes 1.875 58 80
1 14 ASN QD 143 yes 100.0 39.5 1.122 2.838 1.716 13 8 yes 0.982 0 80
1 15 GLN QB 168 yes 100.0 25.1 13.562 54.087 40.525 7 4 yes 5.967 100 138
1 15 GLN QE 184 yes 100.0 60.7 3.745 6.168 2.423 1 1 yes 2.092 20 20
1 15 GLN QG 148 no 50.0 1.9 0.323 16.740 16.417 12 5 yes 1.854 109 137
1 16 HIS QB 152 yes 100.0 3.8 0.318 8.321 8.003 11 0 yes 1.758 53 140
1 17 MET QB 74 yes 100.0 7.3 0.833 11.445 10.613 22 8 yes 1.412 75 240
1 17 MET QG 92 yes 100.0 16.4 1.877 11.434 9.557 21 8 yes 1.752 81 181
1 18 TRP QB 102 no 100.0 28.3 1.629 5.747 4.118 19 0 yes 1.190 40 80
1 19 TYR QB 45 no 80.0 0.1 0.017 15.614 15.598 27 5 yes 1.685 180 300
1 20 TYR QB 110 no 100.0 5.5 0.285 5.188 4.903 17 0 yes 1.241 20 140
1 21 LYS QB 12 no 100.0 2.0 0.111 5.432 5.321 35 24 yes 1.364 40 109
1 21 LYS QD 23 no 100.0 11.5 0.566 4.922 4.356 32 24 yes 1.302 42 85
1 21 LYS QE 50 yes 100.0 17.4 0.462 2.659 2.197 27 24 yes 1.584 40 99
1 21 LYS QG 15 no 100.0 25.1 0.560 2.231 1.672 34 24 yes 0.719 0 65
1 22 ASP QB 88 yes 100.0 51.8 3.310 6.391 3.081 21 7 yes 1.153 20 20
1 23 GLY QA 27 no 100.0 30.2 3.880 12.842 8.961 30 12 yes 1.640 20 120
1 24 LYS QB 8 yes 100.0 25.5 1.309 5.142 3.833 37 28 yes 1.326 20 80
1 24 LYS QD 56 no 100.0 29.7 0.971 3.273 2.302 26 20 yes 1.194 20 40
1 24 LYS QE 58 no 100.0 3.0 0.160 5.419 5.259 26 24 yes 1.450 58 120
1 24 LYS QG 38 yes 100.0 51.3 1.013 1.974 0.961 29 23 yes 0.748 0 20
1 25 VAL QG 3 no 100.0 32.8 11.561 35.284 23.723 50 3 yes 2.964 121 200
1 27 LEU QB 25 yes 100.0 7.3 0.580 7.906 7.326 31 11 yes 1.578 40 140
1 27 LEU QD 24 no 70.0 0.6 0.046 7.380 7.334 31 9 yes 1.567 40 159
1 28 GLU QB 52 no 100.0 37.0 2.313 6.256 3.943 26 8 yes 1.353 20 100
1 28 GLU QG 129 no 100.0 20.7 0.327 1.577 1.250 15 8 yes 0.818 0 100
1 30 ASP QB 127 no 85.0 33.0 2.671 8.082 5.411 15 0 yes 2.988 23 78
1 31 ILE QG 96 no 100.0 44.3 3.030 6.837 3.807 20 0 yes 1.544 20 56
1 32 VAL QG 97 yes 100.0 82.8 12.045 14.553 2.508 20 1 yes 0.919 0 44
1 33 SER QB 165 yes 75.0 39.1 2.195 5.619 3.423 7 2 yes 1.639 23 69
1 35 LYS QB 19 yes 100.0 21.2 6.733 31.735 25.001 33 29 yes 2.423 221 361
1 35 LYS QD 62 no 75.0 15.4 0.858 5.586 4.728 25 22 yes 1.342 44 178
1 35 LYS QE 68 no 75.0 5.1 0.682 13.406 12.724 24 24 yes 2.534 139 260
1 35 LYS QG 57 no 100.0 4.2 0.551 13.230 12.680 26 22 yes 1.962 166 270
1 36 PRO QB 40 yes 100.0 20.2 1.469 7.261 5.792 28 16 yes 1.203 40 160
1 36 PRO QD 49 yes 100.0 4.0 0.573 14.426 13.853 27 21 yes 1.796 219 339
1 36 PRO QG 85 yes 100.0 7.8 0.860 10.990 10.130 22 16 yes 1.868 180 260
1 39 PRO QB 54 no 100.0 5.4 0.114 2.095 1.981 26 16 yes 0.705 0 93
1 39 PRO QD 17 yes 100.0 5.7 0.383 6.771 6.388 33 16 yes 1.351 20 180
1 39 PRO QG 84 yes 100.0 14.9 0.275 1.843 1.568 22 16 yes 0.746 0 180
1 41 PRO QB 33 yes 85.0 1.6 0.113 7.206 7.092 29 14 yes 0.989 0 187
1 41 PRO QD 64 no 100.0 10.5 1.230 11.705 10.476 24 13 yes 1.526 90 207
1 41 PRO QG 81 yes 100.0 27.2 2.148 7.906 5.759 22 15 yes 1.409 120 241
1 43 GLY QA 131 yes 100.0 7.2 0.343 4.732 4.389 14 0 yes 1.434 20 80
1 44 VAL QG 140 no 15.0 0.9 0.010 1.152 1.141 13 0 yes 0.711 0 24
1 45 PHE QB 151 no 100.0 26.7 2.697 10.093 7.397 11 0 yes 1.324 80 140
1 46 TYR QB 163 yes 100.0 11.0 1.608 14.620 13.012 8 0 yes 2.259 79 120
1 47 VAL QG 101 yes 100.0 33.8 1.945 5.755 3.810 19 0 yes 1.183 20 100
1 48 TRP QB 182 yes 85.0 41.2 0.140 0.341 0.200 2 0 no 0.647 0 3
1 49 ASN QB 159 no 75.0 0.5 0.009 1.852 1.843 10 6 yes 0.989 0 40
1 49 ASN QD 170 no 100.0 72.3 2.400 3.318 0.918 7 6 yes 1.411 20 60
1 50 LYS QB 108 no 95.0 1.3 0.087 6.611 6.524 18 10 yes 1.674 50 111
1 50 LYS QD 117 yes 95.0 8.9 0.559 6.271 5.711 17 12 yes 1.972 44 112
1 50 LYS QE 169 no 70.0 12.4 0.634 5.123 4.489 7 6 yes 2.306 26 62
1 50 LYS QG 181 no 100.0 0.0 0.000 3.316 3.316 2 0 yes 1.868 19 22
1 51 GLU QB 98 no 100.0 46.0 2.040 4.432 2.392 20 7 yes 1.166 18 77
1 51 GLU QG 135 no 95.0 41.7 0.213 0.511 0.298 14 6 yes 0.856 0 14
1 52 GLU QB 91 yes 100.0 19.1 0.724 3.793 3.069 21 8 yes 0.930 0 87
1 52 GLU QG 122 yes 100.0 18.9 0.382 2.016 1.634 16 8 yes 1.103 6 81
1 53 ASP QB 146 no 70.0 2.3 0.102 4.467 4.365 12 1 yes 1.856 20 60
1 56 LEU QB 76 no 100.0 12.7 1.268 10.014 8.746 22 9 yes 1.760 61 222
1 56 LEU QD 2 yes 95.0 29.0 6.130 21.121 14.990 60 12 yes 1.554 107 337
1 57 LYS QB 14 yes 100.0 13.9 0.835 5.987 5.152 35 26 yes 1.368 40 80
1 57 LYS QD 44 no 100.0 17.7 0.092 0.522 0.430 28 24 yes 0.623 0 41
1 57 LYS QE 43 yes 100.0 37.2 0.575 1.547 0.972 28 24 yes 0.875 0 60
1 57 LYS QG 29 no 100.0 14.1 0.573 4.053 3.480 30 24 yes 0.951 0 180
1 58 GLY QA 113 no 85.0 4.2 0.333 8.027 7.694 17 2 yes 2.192 40 80
1 60 ASN QB 128 yes 100.0 13.4 1.557 11.582 10.025 15 6 yes 2.558 41 80
1 60 ASN QD 158 no 100.0 28.6 0.807 2.817 2.010 10 6 yes 1.127 25 80
1 61 ASP QB 156 no 90.0 61.4 0.010 0.017 0.006 10 0 no 0.207 0 0
1 62 ASP QB 154 no 75.0 24.5 0.438 1.790 1.352 11 1 yes 1.503 5 25
1 63 GLY QA 112 no 75.0 0.7 0.082 12.078 11.995 17 1 yes 2.474 45 85
1 65 PRO QB 53 no 100.0 31.9 0.810 2.540 1.731 26 16 yes 1.099 20 20
1 65 PRO QD 11 yes 100.0 3.7 0.183 4.980 4.797 35 16 yes 1.161 37 133
1 65 PRO QG 66 yes 100.0 29.2 0.156 0.534 0.378 24 16 no 0.441 0 0
1 66 TYR QB 86 yes 100.0 4.8 0.173 3.610 3.436 21 0 yes 1.104 18 112
1 67 GLU QB 73 yes 100.0 17.3 0.294 1.704 1.410 22 8 yes 0.983 0 20
1 67 GLU QG 136 no 100.0 19.2 0.119 0.620 0.500 14 8 yes 0.711 0 20
1 68 SER QB 107 yes 100.0 32.7 0.692 2.116 1.424 18 8 yes 0.849 0 40
1 69 PRO QB 48 yes 100.0 59.4 4.766 8.028 3.262 27 16 yes 1.255 21 60
1 69 PRO QD 42 no 100.0 3.0 0.045 1.473 1.429 28 22 yes 0.889 0 35
1 69 PRO QG 83 no 100.0 39.7 0.393 0.990 0.597 22 16 yes 0.703 0 34
1 70 VAL QG 1 yes 100.0 59.7 24.505 41.058 16.553 63 14 yes 1.346 84 321
1 71 ASN QB 71 yes 90.0 11.5 0.266 2.320 2.054 23 8 yes 0.873 0 36
1 71 ASN QD 115 no 100.0 38.1 2.485 6.529 4.044 17 8 yes 1.397 40 94
1 72 TYR QB 150 yes 100.0 22.1 0.703 3.180 2.477 11 0 yes 1.270 20 52
1 73 TRP QB 119 yes 100.0 11.0 1.457 13.251 11.794 16 1 yes 1.798 100 140
1 74 MET QB 175 yes 100.0 41.2 2.298 5.577 3.279 6 4 yes 1.384 80 80
1 74 MET QG 147 yes 100.0 24.9 1.966 7.891 5.926 12 4 yes 1.290 40 67
1 75 PRO QD 180 no 100.0 35.1 6.344 18.096 11.751 3 0 yes 3.024 60 60
1 76 ILE QG 173 yes 100.0 14.5 0.508 3.510 3.002 6 0 yes 1.271 40 40
1 78 TRP QB 179 no 70.0 45.1 0.710 1.574 0.864 4 0 yes 1.346 6 22
1 80 GLY QA 172 no 95.0 47.3 0.420 0.888 0.468 6 0 yes 1.046 1 7
1 81 VAL QG 139 yes 90.0 38.5 2.594 6.740 4.146 13 0 yes 1.163 11 120
1 82 GLY QA 160 no 100.0 8.9 2.419 27.088 24.669 9 0 yes 4.605 78 100
1 83 ILE QG 145 yes 100.0 22.4 1.848 8.250 6.403 12 0 yes 1.910 40 84
1 84 HIS QB 104 no 100.0 19.8 2.390 12.044 9.654 19 4 yes 1.475 100 140
1 85 ASP QB 164 yes 95.0 6.9 0.339 4.929 4.590 7 0 yes 1.433 55 80
1 86 SER QB 162 no 100.0 36.3 11.087 30.520 19.432 8 0 yes 3.987 60 80
1 87 ASP QB 130 no 100.0 13.8 0.125 0.906 0.781 14 0 yes 0.816 0 20
1 88 TRP QB 118 no 100.0 54.3 4.044 7.451 3.407 16 0 yes 1.028 4 117
1 89 GLN QB 134 no 100.0 23.0 1.765 7.668 5.903 14 4 yes 1.686 67 90
1 89 GLN QE 155 no 75.0 13.7 3.289 24.027 20.738 11 10 yes 4.794 25 38
1 90 PRO QB 34 no 100.0 7.4 0.144 1.934 1.790 29 16 yes 1.101 19 22
1 90 PRO QD 35 no 95.0 1.1 0.103 9.342 9.239 29 18 yes 1.496 78 206
1 90 PRO QG 41 yes 90.0 35.4 2.014 5.690 3.675 28 17 yes 1.194 2 200
1 91 GLU QB 78 no 40.0 3.4 0.139 4.099 3.960 22 11 yes 1.544 12 84
1 91 GLU QG 90 yes 90.0 5.0 0.570 11.390 10.820 21 8 yes 3.066 45 87
1 92 TYR QB 120 no 65.0 0.1 0.006 6.269 6.263 16 2 yes 1.296 60 120
1 93 GLY QA 178 no 100.0 0.0 0.000 0.000 0.000 5 5 no 0.063 0 0
1 94 GLY QA 93 no 100.0 1.6 0.025 1.587 1.562 21 11 yes 0.783 0 43
1 95 ASP QB 70 no 30.0 2.0 0.064 3.284 3.220 23 8 yes 1.106 15 123
1 96 LEU QB 32 yes 100.0 14.3 1.220 8.552 7.332 29 13 yes 1.275 71 232
1 96 LEU QD 20 no 70.0 33.0 2.421 7.332 4.911 32 12 yes 1.452 83 194
1 97 TRP QB 126 yes 100.0 11.5 1.491 12.938 11.447 15 0 yes 1.592 100 160
1 98 LYS QB 7 no 100.0 10.8 2.289 21.258 18.969 38 23 yes 1.638 233 353
1 98 LYS QD 9 no 100.0 3.5 0.240 6.801 6.561 36 24 yes 1.521 100 180
1 98 LYS QE 22 yes 100.0 2.0 0.207 10.404 10.198 32 24 yes 1.852 111 254
1 98 LYS QG 6 no 100.0 6.9 1.512 21.783 20.271 38 23 yes 1.952 157 340
1 100 ARG QB 28 no 100.0 26.1 6.452 24.746 18.295 30 20 yes 4.073 54 176
1 100 ARG QD 13 yes 90.0 27.0 3.159 11.684 8.525 35 26 yes 1.390 20 185
1 100 ARG QG 65 no 100.0 2.6 0.055 2.105 2.050 24 16 yes 0.919 0 98
1 101 GLY QA 157 no 45.0 1.0 0.081 8.219 8.138 10 2 yes 1.758 67 80
1 102 SER QB 177 yes 75.0 14.7 0.583 3.963 3.380 5 2 yes 1.303 21 52
1 103 HIS QB 167 no 100.0 21.5 0.477 2.222 1.745 7 3 yes 1.108 19 40
1 104 GLY QA 166 yes 100.0 52.1 0.952 1.826 0.874 7 3 yes 0.878 0 20
1 105 CYS QB 176 no 85.0 29.4 0.682 2.316 1.634 5 0 yes 1.470 3 43
1 106 ILE QG 95 yes 100.0 31.4 4.756 15.152 10.396 20 0 yes 2.313 48 118
1 107 ASN QB 171 yes 100.0 21.7 0.419 1.933 1.514 6 0 yes 1.063 2 40
1 107 ASN QD 183 yes 100.0 99.6 1.752 1.759 0.007 1 0 no 0.127 0 0
1 109 PRO QB 36 yes 90.0 1.4 0.183 13.220 13.037 29 19 yes 1.397 80 295
1 109 PRO QD 124 yes 100.0 7.7 1.476 19.133 17.657 16 10 yes 1.938 200 260
1 109 PRO QG 94 no 100.0 8.7 1.550 17.865 16.315 21 15 yes 1.823 220 280
1 110 PRO QB 21 no 60.0 1.1 0.116 10.830 10.714 32 16 yes 1.822 73 220
1 110 PRO QD 26 yes 100.0 8.7 1.454 16.709 15.255 31 23 yes 1.694 160 282
1 110 PRO QG 82 yes 100.0 2.4 0.232 9.703 9.471 22 16 yes 1.317 200 324
1 111 SER QB 125 no 100.0 18.6 2.192 11.791 9.599 15 0 yes 1.786 81 129
1 112 VAL QG 72 no 100.0 11.0 0.712 6.457 5.744 22 1 yes 1.341 53 81
1 113 MET QB 63 no 100.0 4.0 1.128 27.915 26.787 24 7 yes 2.408 199 319
1 113 MET QG 142 yes 100.0 15.4 2.115 13.739 11.624 13 7 yes 2.416 140 160
1 114 LYS QB 5 yes 100.0 1.2 0.150 12.621 12.471 38 20 yes 2.074 60 180
1 114 LYS QD 55 yes 100.0 20.5 0.182 0.890 0.708 26 20 yes 0.583 0 21
1 114 LYS QE 137 yes 80.0 52.7 5.831 11.070 5.239 14 12 yes 1.831 20 89
1 114 LYS QG 37 yes 100.0 10.1 0.457 4.536 4.079 29 20 yes 1.497 20 146
1 115 GLU QB 61 no 100.0 6.6 0.132 1.989 1.857 25 11 yes 1.049 20 40
1 115 GLU QG 105 yes 100.0 53.0 0.448 0.846 0.398 19 8 yes 0.706 0 20
1 116 LEU QB 30 no 100.0 0.6 0.099 15.751 15.652 29 9 yes 2.046 81 253
1 116 LEU QD 47 yes 100.0 14.1 0.997 7.051 6.054 27 10 yes 1.058 39 220
1 117 PHE QB 153 no 100.0 33.3 5.502 16.528 11.026 11 1 yes 2.747 64 120
1 118 GLY QA 132 no 100.0 32.8 0.299 0.911 0.612 14 1 yes 0.549 0 20
1 119 MET QB 69 yes 100.0 3.6 0.183 5.038 4.855 23 8 yes 1.611 20 180
1 119 MET QG 51 yes 100.0 16.3 1.003 6.144 5.141 26 8 yes 1.179 20 133
1 120 VAL QG 10 no 100.0 60.5 9.251 15.284 6.033 35 2 yes 1.270 20 183
1 121 GLU QB 46 no 100.0 60.7 1.526 2.515 0.989 27 8 yes 0.665 0 20
1 121 GLU QG 114 yes 100.0 19.5 0.280 1.440 1.159 17 8 yes 1.002 1 20
1 122 LYS QB 4 no 100.0 18.3 1.450 7.944 6.493 42 28 yes 1.395 43 166
1 122 LYS QD 39 no 70.0 46.2 1.720 3.721 2.001 29 24 yes 1.911 13 122
1 122 LYS QE 67 no 30.0 0.0 0.002 4.580 4.578 24 24 yes 1.515 62 232
1 122 LYS QG 18 no 70.0 4.7 0.373 7.917 7.545 33 24 yes 1.546 48 249
1 123 GLY QA 161 yes 100.0 35.5 0.202 0.569 0.366 9 4 yes 0.927 0 20
1 125 PRO QB 79 yes 100.0 32.5 2.298 7.064 4.767 22 13 yes 1.071 2 159
1 125 PRO QD 109 yes 100.0 25.9 2.763 10.674 7.911 18 12 yes 1.469 140 201
1 125 PRO QG 80 no 100.0 31.8 3.321 10.431 7.110 22 14 yes 1.393 80 220
1 126 VAL QG 149 no 60.0 0.2 0.003 1.759 1.756 11 0 yes 0.895 0 59
1 127 LEU QB 59 yes 100.0 12.8 0.961 7.508 6.547 25 8 yes 1.810 29 128
1 127 LEU QD 89 no 100.0 45.9 19.628 42.788 23.160 21 8 yes 4.757 20 100
1 128 VAL QG 138 yes 100.0 36.7 1.090 2.971 1.881 13 0 yes 0.731 0 70
1 129 PHE QB 144 no 100.0 10.1 0.042 0.413 0.371 12 0 no 0.449 0 0
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