NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561365 |
3zg4   |
18900 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_3zg4
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 186
_Stereo_assign_list.Swap_count 65
_Stereo_assign_list.Swap_percentage 34.9
_Stereo_assign_list.Deassign_count 178
_Stereo_assign_list.Deassign_percentage 95.7
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 1561.327
_Stereo_assign_list.Total_e_high_states 1953.807
_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 177 no 95.0 0.3 0.002 0.473 0.472 10 0 yes 1.694 3 6
1 3 MET QB 53 no 95.0 28.2 1.183 4.189 3.005 27 8 yes 1.341 13 65
1 3 MET QG 122 no 95.0 7.0 0.090 1.281 1.191 20 8 yes 1.197 1 26
1 4 GLU QB 115 no 100.0 56.3 3.017 5.359 2.342 21 8 yes 1.457 20 34
1 4 GLU QG 129 no 100.0 52.1 6.152 11.816 5.663 19 8 yes 2.774 19 41
1 5 ASP QB 71 no 50.0 0.2 0.043 24.726 24.683 25 0 yes 3.584 110 192
1 7 TYR QB 132 yes 100.0 12.8 1.404 10.963 9.559 18 0 yes 1.878 58 162
1 9 GLU QB 93 no 100.0 37.5 0.702 1.871 1.170 23 8 yes 0.586 0 20
1 9 GLU QG 106 yes 100.0 3.5 0.225 6.453 6.228 22 10 yes 1.439 40 118
1 10 VAL QG 169 no 100.0 13.6 0.190 1.394 1.204 12 0 no 0.498 0 0
1 11 ASP QB 142 no 85.0 1.9 0.041 2.188 2.146 16 0 yes 0.883 0 60
1 12 LEU QB 25 no 100.0 8.5 0.726 8.549 7.824 31 8 yes 1.482 59 183
1 12 LEU QD 62 yes 100.0 24.9 2.428 9.742 7.314 26 8 yes 1.507 29 219
1 13 GLU QB 121 no 85.0 4.9 0.092 1.879 1.787 20 8 yes 0.986 0 48
1 13 GLU QG 149 no 85.0 15.8 0.079 0.501 0.422 16 8 no 0.765 0 10
1 14 ASN QB 114 yes 95.0 14.3 1.875 13.157 11.281 21 8 yes 3.045 56 104
1 14 ASN QD 163 no 70.0 3.9 0.059 1.506 1.447 14 8 yes 0.954 0 74
1 15 GLN QB 120 no 100.0 12.3 3.549 28.825 25.276 20 7 yes 3.709 135 203
1 15 GLN QE 186 yes 95.0 82.1 0.713 0.869 0.156 2 1 yes 0.828 0 21
1 15 GLN QG 174 no 80.0 6.6 0.695 10.528 9.834 12 8 yes 1.674 126 180
1 16 HIS QB 141 no 100.0 21.7 0.763 3.519 2.757 16 0 yes 1.076 20 62
1 17 MET QB 73 no 95.0 1.9 0.199 10.390 10.190 25 8 yes 1.386 60 200
1 17 MET QG 84 yes 100.0 4.2 0.269 6.416 6.147 24 8 yes 1.569 60 150
1 18 TRP QB 49 no 100.0 38.6 5.991 15.526 9.535 27 1 yes 1.750 60 160
1 19 TYR QB 98 no 100.0 7.7 0.921 11.984 11.063 22 2 yes 1.682 54 228
1 20 TYR QB 110 yes 100.0 25.0 1.667 6.673 5.006 21 0 yes 1.255 34 119
1 21 LYS QB 15 no 100.0 24.2 1.780 7.356 5.576 34 20 yes 1.809 14 123
1 21 LYS QD 36 yes 85.0 29.3 0.490 1.671 1.181 30 22 yes 1.092 20 100
1 21 LYS QE 70 no 35.0 0.3 0.010 3.686 3.675 26 24 yes 1.931 46 120
1 21 LYS QG 12 yes 85.0 15.0 0.466 3.105 2.639 35 24 yes 1.170 21 93
1 22 ASP QB 100 yes 100.0 38.2 3.297 8.628 5.331 22 6 yes 1.279 33 41
1 23 GLY QA 72 yes 100.0 27.7 4.160 15.015 10.855 25 8 yes 1.799 52 104
1 24 LYS QB 37 no 100.0 12.7 1.050 8.246 7.196 30 24 yes 1.958 47 119
1 24 LYS QD 88 no 95.0 6.2 0.170 2.750 2.580 24 20 yes 0.643 0 16
1 24 LYS QE 69 no 80.0 16.0 0.923 5.768 4.846 26 24 yes 1.966 56 118
1 24 LYS QG 22 yes 100.0 19.1 0.477 2.497 2.020 32 24 yes 1.196 10 50
1 25 VAL QG 42 yes 95.0 25.5 30.818 121.019 90.201 28 1 yes 9.449 23 63
1 27 LEU QB 7 no 100.0 6.1 0.439 7.251 6.811 39 10 yes 1.751 26 120
1 27 LEU QD 104 yes 100.0 2.5 0.157 6.193 6.036 22 8 yes 1.197 20 220
1 28 GLU QB 82 yes 100.0 48.1 3.545 7.377 3.832 24 6 yes 1.427 20 74
1 28 GLU QG 154 no 90.0 7.4 0.053 0.716 0.663 15 6 yes 0.966 0 57
1 30 ASP QB 152 no 75.0 18.5 0.703 3.797 3.095 15 0 yes 1.270 20 66
1 31 ILE QG 109 no 100.0 13.6 0.456 3.363 2.906 21 0 yes 1.400 20 40
1 32 VAL QG 112 no 100.0 64.5 7.579 11.756 4.177 21 2 yes 1.347 12 135
1 33 SER QB 178 no 90.0 33.9 1.251 3.689 2.438 9 0 yes 1.202 29 41
1 34 GLY QA 147 yes 100.0 65.3 17.803 27.253 9.450 16 4 yes 1.460 33 140
1 35 LYS QB 4 yes 100.0 15.4 3.189 20.652 17.464 43 32 yes 1.787 138 314
1 35 LYS QD 87 no 80.0 0.7 0.022 3.270 3.248 24 19 yes 1.642 57 120
1 35 LYS QE 90 no 95.0 1.9 0.073 3.770 3.697 24 24 yes 1.844 47 207
1 35 LYS QG 29 yes 100.0 3.9 0.361 9.307 8.946 31 21 yes 1.491 81 267
1 36 PRO QB 58 no 100.0 6.1 0.195 3.182 2.988 27 14 yes 1.279 20 120
1 36 PRO QD 18 no 100.0 15.7 2.642 16.787 14.145 33 23 yes 1.587 140 276
1 36 PRO QG 64 no 100.0 18.9 1.570 8.313 6.743 26 15 yes 1.618 155 220
1 39 PRO QB 47 no 100.0 47.2 1.599 3.390 1.790 28 15 yes 0.756 0 26
1 39 PRO QD 19 no 100.0 42.1 1.604 3.807 2.203 32 16 yes 0.713 0 40
1 39 PRO QG 77 no 100.0 1.3 0.012 0.955 0.943 25 15 yes 0.614 0 160
1 41 PRO QB 40 no 100.0 24.8 1.163 4.691 3.528 29 14 yes 1.217 20 100
1 41 PRO QD 33 no 100.0 7.8 0.456 5.859 5.403 30 16 yes 1.303 40 100
1 41 PRO QG 76 yes 100.0 7.6 0.179 2.375 2.195 25 14 yes 0.844 0 180
1 43 GLY QA 97 no 100.0 14.1 0.440 3.123 2.683 22 0 yes 0.995 0 60
1 44 VAL QG 168 yes 85.0 41.1 0.324 0.789 0.465 12 0 no 0.986 0 3
1 45 PHE QB 80 no 95.0 4.2 0.602 14.437 13.835 24 0 yes 1.729 117 257
1 46 TYR QB 127 no 100.0 4.5 0.213 4.773 4.560 19 0 yes 1.124 38 120
1 47 VAL QG 117 yes 100.0 50.7 2.916 5.750 2.834 20 0 yes 1.406 20 30
1 48 TRP QB 126 yes 100.0 31.2 1.953 6.263 4.309 19 0 yes 0.985 0 125
1 49 ASN QB 45 yes 90.0 4.2 0.226 5.414 5.188 28 13 yes 1.375 17 129
1 49 ASN QD 173 no 100.0 0.3 0.004 1.468 1.464 12 8 yes 0.951 0 80
1 50 LYS QB 46 no 75.0 12.7 1.004 7.922 6.918 28 15 yes 1.931 55 94
1 50 LYS QD 151 no 75.0 28.6 0.225 0.790 0.564 16 14 yes 1.091 5 30
1 50 LYS QE 176 no 100.0 22.5 0.058 0.256 0.198 12 12 yes 0.693 0 20
1 50 LYS QG 180 no 90.0 9.7 0.226 2.345 2.118 9 5 yes 1.184 40 103
1 51 GLU QB 161 no 100.0 16.3 0.349 2.144 1.795 14 4 yes 1.141 17 20
1 51 GLU QG 160 no 95.0 6.4 0.114 1.791 1.676 14 4 yes 0.763 0 61
1 52 GLU QB 103 no 100.0 18.2 0.947 5.210 4.263 22 8 yes 1.188 27 114
1 52 GLU QG 162 no 70.0 3.8 0.063 1.646 1.583 14 8 yes 1.319 19 38
1 53 ASP QB 131 yes 100.0 35.5 0.373 1.052 0.679 18 0 yes 0.583 0 20
1 56 LEU QB 24 no 100.0 14.8 0.820 5.527 4.707 31 8 yes 1.148 40 215
1 56 LEU QD 1 no 85.0 5.2 0.854 16.434 15.581 65 23 yes 1.238 85 423
1 57 LYS QB 6 no 100.0 37.3 2.223 5.966 3.743 41 24 yes 1.172 31 70
1 57 LYS QD 68 yes 95.0 49.4 0.366 0.742 0.376 26 22 no 0.735 0 9
1 57 LYS QE 89 no 100.0 2.8 0.058 2.035 1.978 24 24 yes 1.270 38 40
1 57 LYS QG 16 no 40.0 5.1 0.144 2.818 2.674 34 24 yes 1.177 20 96
1 58 GLY QA 81 no 35.0 2.1 0.404 19.680 19.276 24 2 yes 2.912 68 100
1 60 ASN QB 119 yes 100.0 8.3 0.311 3.766 3.454 20 6 yes 1.637 20 50
1 60 ASN QD 55 yes 100.0 20.7 13.675 65.973 52.298 27 10 yes 7.140 80 182
1 61 ASP QB 185 no 70.0 46.3 0.012 0.025 0.014 6 0 no 0.204 0 0
1 62 ASP QB 146 no 70.0 18.6 1.704 9.182 7.479 16 4 yes 2.934 37 69
1 63 GLY QA 50 no 70.0 1.3 0.375 27.888 27.514 27 4 yes 2.954 98 128
1 65 PRO QB 28 yes 100.0 23.5 0.307 1.307 1.001 31 16 yes 0.711 0 53
1 65 PRO QD 13 no 90.0 14.6 0.597 4.102 3.505 34 16 yes 1.322 21 74
1 65 PRO QG 86 no 90.0 17.9 0.048 0.267 0.219 24 16 no 0.488 0 0
1 66 TYR QB 99 no 100.0 8.5 0.404 4.771 4.366 22 4 yes 1.546 42 100
1 67 GLU QB 92 no 100.0 24.3 0.894 3.685 2.791 23 8 yes 1.386 20 60
1 67 GLU QG 135 no 100.0 87.5 2.100 2.401 0.301 18 8 no 0.529 0 1
1 68 SER QB 116 no 75.0 1.2 0.119 10.292 10.173 21 10 yes 2.061 68 151
1 69 PRO QB 65 yes 100.0 30.9 1.722 5.570 3.849 26 16 yes 1.503 20 61
1 69 PRO QD 35 yes 100.0 60.6 3.637 6.005 2.368 30 22 yes 1.263 9 59
1 69 PRO QG 95 no 95.0 4.9 0.047 0.966 0.919 23 16 yes 0.806 0 40
1 70 VAL QG 2 yes 100.0 57.1 24.729 43.282 18.553 58 12 yes 2.330 82 353
1 71 ASN QB 52 no 85.0 17.3 0.636 3.667 3.031 27 8 yes 1.119 3 77
1 71 ASN QD 85 no 100.0 17.5 1.231 7.021 5.790 24 9 yes 1.860 57 165
1 72 TYR QB 157 no 60.0 0.2 0.015 9.518 9.503 14 0 yes 2.089 45 143
1 73 TRP QB 128 no 100.0 34.3 3.484 10.150 6.666 19 1 yes 1.300 80 132
1 74 MET QB 171 yes 100.0 14.4 0.896 6.231 5.334 12 4 yes 1.538 41 160
1 74 MET QG 159 no 95.0 19.6 1.002 5.107 4.105 14 4 yes 1.555 22 61
1 75 PRO QB 153 yes 100.0 12.6 0.811 6.439 5.628 15 4 yes 1.526 40 157
1 75 PRO QD 150 no 100.0 10.4 1.039 9.967 8.928 16 13 yes 1.547 81 148
1 75 PRO QG 175 no 75.0 1.0 0.095 9.418 9.324 12 10 yes 1.787 188 199
1 76 ILE QG 182 yes 100.0 19.3 1.587 8.205 6.618 8 0 yes 1.691 40 80
1 77 ASP QB 167 no 35.0 0.8 0.045 5.845 5.799 12 0 yes 1.634 45 111
1 78 TRP QB 164 no 100.0 38.2 1.319 3.455 2.136 13 0 yes 1.102 20 56
1 80 GLY QA 125 yes 100.0 38.4 3.097 8.073 4.976 19 0 yes 1.232 35 159
1 81 VAL QG 111 yes 100.0 21.1 0.441 2.094 1.652 21 2 yes 0.874 0 40
1 82 GLY QA 166 yes 100.0 18.6 14.396 77.563 63.167 12 0 yes 7.841 60 100
1 83 ILE QG 130 no 85.0 1.7 0.064 3.696 3.632 18 0 yes 1.544 20 60
1 84 HIS QB 43 no 100.0 4.8 0.983 20.413 19.430 28 7 yes 2.083 166 353
1 85 ASP QB 140 yes 100.0 26.6 2.217 8.340 6.124 16 0 yes 1.464 58 109
1 86 SER QB 156 no 55.0 3.2 0.446 13.880 13.434 14 0 yes 4.115 44 142
1 87 ASP QB 139 no 100.0 6.5 0.091 1.398 1.307 17 0 yes 0.918 0 38
1 88 TRP QB 108 no 100.0 25.5 1.065 4.169 3.104 21 0 yes 1.202 20 60
1 89 GLN QB 74 yes 95.0 22.5 2.422 10.778 8.356 25 9 yes 1.542 22 101
1 89 GLN QE 172 yes 100.0 64.2 4.406 6.860 2.454 12 8 yes 1.491 35 105
1 90 PRO QB 57 yes 100.0 26.8 2.296 8.565 6.269 27 14 yes 1.678 41 60
1 90 PRO QD 17 no 100.0 14.8 0.801 5.422 4.621 33 21 yes 1.099 19 157
1 90 PRO QG 75 yes 100.0 13.5 0.301 2.229 1.928 25 14 yes 0.726 0 180
1 91 GLU QB 44 yes 80.0 2.2 0.269 11.963 11.694 28 8 yes 1.852 100 120
1 91 GLU QG 148 yes 75.0 23.8 0.598 2.508 1.910 16 6 yes 1.083 6 56
1 92 TYR QB 118 yes 100.0 4.1 0.287 7.076 6.789 20 4 yes 1.467 60 102
1 93 GLY QA 105 no 100.0 6.2 0.230 3.704 3.474 22 10 yes 0.982 0 100
1 94 GLY QA 94 no 80.0 2.9 0.066 2.321 2.254 23 10 yes 1.144 20 40
1 95 ASP QB 102 no 100.0 28.6 0.394 1.378 0.984 22 8 yes 0.790 0 40
1 96 LEU QB 61 no 100.0 11.2 0.864 7.702 6.838 26 8 yes 1.528 40 148
1 96 LEU QD 113 no 100.0 48.4 1.739 3.591 1.852 21 8 yes 0.833 0 100
1 97 TRP QB 138 no 100.0 16.5 1.461 8.835 7.374 17 0 yes 1.511 60 157
1 98 LYS QB 14 yes 100.0 27.4 2.059 7.510 5.451 34 20 yes 0.970 0 132
1 98 LYS QD 41 no 100.0 22.6 0.827 3.663 2.837 29 20 yes 1.107 38 214
1 98 LYS QE 181 yes 85.0 55.8 1.524 2.731 1.207 9 6 yes 1.493 10 47
1 98 LYS QG 34 yes 100.0 5.2 0.731 14.111 13.380 30 18 yes 1.629 126 337
1 100 ARG QB 32 no 100.0 19.8 3.991 20.128 16.137 30 16 yes 3.345 60 133
1 100 ARG QD 107 no 100.0 0.6 0.020 3.039 3.020 22 16 yes 0.940 0 178
1 100 ARG QG 59 no 100.0 6.2 0.082 1.331 1.248 27 16 yes 0.729 0 20
1 101 GLY QA 170 yes 100.0 14.0 1.126 8.064 6.939 12 2 yes 1.868 31 100
1 102 SER QB 183 yes 95.0 64.6 3.840 5.947 2.107 8 4 yes 1.355 1 42
1 103 HIS QB 145 yes 100.0 6.5 1.702 26.281 24.579 16 3 yes 1.779 80 134
1 104 GLY QA 179 yes 95.0 11.7 0.324 2.761 2.437 9 1 yes 1.124 20 60
1 105 CYS QB 51 yes 100.0 24.0 2.397 9.997 7.600 27 6 yes 1.687 52 182
1 106 ILE QG 96 no 100.0 24.8 35.733 144.123 108.390 22 0 yes 10.426 42 100
1 107 ASN QB 184 no 60.0 32.0 0.790 2.466 1.676 6 0 yes 1.644 22 48
1 109 PRO QB 20 no 100.0 14.7 1.133 7.709 6.576 32 20 yes 1.195 60 130
1 109 PRO QD 136 no 100.0 5.3 0.517 9.783 9.266 18 14 yes 1.349 160 280
1 109 PRO QG 63 no 100.0 6.4 0.782 12.264 11.482 26 14 yes 1.814 140 259
1 110 PRO QB 31 yes 100.0 36.3 7.089 19.549 12.460 30 16 yes 2.684 89 205
1 110 PRO QD 21 no 100.0 13.3 0.947 7.142 6.196 32 24 yes 1.381 64 180
1 110 PRO QG 78 yes 100.0 4.8 0.209 4.369 4.160 25 16 yes 1.178 20 300
1 111 SER QB 165 no 45.0 6.2 0.751 12.129 11.378 13 1 yes 2.458 67 111
1 112 VAL QG 143 yes 100.0 93.7 4.635 4.947 0.312 16 1 no 0.732 0 2
1 113 MET QB 60 no 100.0 7.0 0.826 11.743 10.917 26 8 yes 1.262 130 235
1 113 MET QG 101 yes 95.0 6.6 0.642 9.723 9.082 22 8 yes 2.133 83 165
1 114 LYS QB 8 yes 95.0 1.6 0.198 12.161 11.962 39 20 yes 1.651 97 234
1 114 LYS QD 67 no 90.0 20.4 0.539 2.650 2.111 26 20 yes 1.008 1 40
1 114 LYS QE 48 no 90.0 1.8 0.107 6.108 6.001 28 24 yes 1.695 80 82
1 114 LYS QG 11 no 95.0 7.1 0.206 2.911 2.705 36 24 yes 0.949 0 134
1 115 GLU QB 91 no 100.0 3.2 0.074 2.315 2.241 23 8 yes 1.205 20 40
1 115 GLU QG 134 no 100.0 2.4 0.024 0.998 0.974 18 8 yes 0.869 0 40
1 116 LEU QB 26 no 100.0 14.0 1.429 10.232 8.803 31 9 yes 1.786 40 280
1 116 LEU QD 3 no 100.0 10.1 1.622 16.124 14.502 43 13 yes 1.834 78 260
1 117 PHE QB 144 no 65.0 2.1 0.084 4.007 3.923 16 2 yes 1.006 1 100
1 118 GLY QA 158 no 100.0 9.0 0.452 5.020 4.568 14 4 yes 1.563 40 60
1 119 MET QB 123 yes 100.0 4.5 0.102 2.269 2.167 20 10 yes 0.951 0 140
1 119 MET QG 38 no 100.0 22.2 4.333 19.513 15.180 29 12 yes 2.865 60 195
1 120 VAL QG 5 no 100.0 45.8 9.125 19.913 10.788 42 7 yes 1.523 80 182
1 121 GLU QB 54 no 100.0 51.0 2.947 5.778 2.831 27 9 yes 1.180 20 60
1 121 GLU QG 83 no 100.0 11.7 25.350 216.160 190.811 24 8 yes 14.258 20 50
1 122 LYS QB 9 no 100.0 4.6 0.467 10.196 9.729 39 24 yes 1.877 43 129
1 122 LYS QD 66 no 100.0 4.7 0.032 0.679 0.648 26 20 yes 0.567 0 20
1 122 LYS QE 79 yes 100.0 4.4 0.161 3.649 3.488 25 24 yes 1.137 32 141
1 122 LYS QG 10 yes 100.0 14.6 1.402 9.572 8.170 37 24 yes 1.543 57 185
1 123 GLY QA 133 no 100.0 14.8 0.546 3.692 3.146 18 4 yes 1.163 34 100
1 125 PRO QB 39 yes 100.0 26.4 2.345 8.869 6.524 29 14 yes 1.907 20 183
1 125 PRO QD 27 yes 100.0 14.2 0.775 5.458 4.683 31 16 yes 1.048 40 122
1 125 PRO QG 56 yes 90.0 14.8 0.884 5.989 5.104 27 14 yes 1.447 60 261
1 126 VAL QG 137 no 100.0 31.6 1.915 6.050 4.135 17 0 yes 1.845 15 82
1 127 LEU QB 23 yes 100.0 26.8 12.672 47.287 34.614 31 8 yes 5.941 20 80
1 127 LEU QD 30 no 100.0 75.2 13.319 17.718 4.399 30 10 yes 1.436 20 123
1 128 VAL QG 124 no 100.0 9.8 0.232 2.366 2.135 19 0 yes 0.876 0 80
1 129 PHE QB 155 no 70.0 1.6 0.014 0.906 0.891 14 0 yes 0.766 0 27
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