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 |
|
|
393196 |
1q8x   |
6004 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1q8x
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 200
_Stereo_assign_list.Swap_count 44
_Stereo_assign_list.Swap_percentage 22.0
_Stereo_assign_list.Deassign_count 88
_Stereo_assign_list.Deassign_percentage 44.0
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 669.755
_Stereo_assign_list.Total_e_high_states 1056.344
_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 4 GLY QA 189 no 45.0 65.4 0.007 0.010 0.004 2 0 no 0.146 0 0
1 5 VAL QG 26 yes 85.0 78.4 1.567 1.999 0.432 12 2 no 0.947 0 14
1 7 VAL QG 21 no 100.0 97.6 1.981 2.029 0.048 13 1 no 0.588 0 2
1 8 SER QB 121 no 95.0 86.7 0.011 0.013 0.002 6 0 no 0.349 0 0
1 10 GLY QA 170 no 10.0 17.7 0.012 0.065 0.054 4 1 no 0.000 0 0
1 11 VAL QG 22 no 50.0 7.8 0.371 4.727 4.357 13 3 yes 2.649 27 44
1 13 LYS QG 54 no 60.0 1.7 0.003 0.169 0.166 9 0 no 0.575 0 2
1 14 VAL QG 19 yes 100.0 97.8 8.053 8.233 0.180 14 1 no 0.710 0 6
1 15 PHE QB 62 no 100.0 100.0 0.001 0.001 0.000 9 3 no 0.162 0 0
1 15 PHE QD 106 no 95.0 67.2 13.776 20.503 6.727 7 2 yes 3.646 22 27
1 15 PHE QE 200 yes 90.0 95.4 0.759 0.796 0.037 1 1 no 0.295 0 0
1 16 ASN QB 58 no 70.0 71.8 1.145 1.596 0.451 9 2 yes 1.113 7 37
1 16 ASN QD 27 yes 100.0 38.4 4.245 11.055 6.810 12 3 yes 4.320 26 37
1 17 ASP QB 141 no 85.0 49.7 0.555 1.118 0.563 5 0 yes 1.204 2 15
1 18 MET QB 81 no 100.0 6.5 0.195 3.021 2.826 8 2 yes 1.304 5 42
1 18 MET QG 47 yes 85.0 81.5 1.443 1.770 0.327 10 2 no 0.505 0 1
1 19 LYS QG 32 no 100.0 70.6 0.607 0.859 0.253 11 0 no 0.586 0 6
1 20 VAL QG 41 no 90.0 51.6 0.800 1.550 0.750 10 0 yes 1.110 8 18
1 21 ARG QB 166 no 50.0 56.6 0.005 0.008 0.004 4 0 no 0.145 0 0
1 22 LYS QB 120 no 40.0 8.5 0.006 0.067 0.061 6 0 no 0.264 0 0
1 26 PRO QG 196 no 50.0 100.0 0.002 0.002 0.000 1 0 no 0.000 0 0
1 27 GLU QB 80 no 75.0 23.0 0.183 0.798 0.615 8 2 no 0.827 0 19
1 27 GLU QG 105 yes 75.0 39.3 1.037 2.640 1.603 7 2 yes 2.257 7 19
1 28 GLU QB 69 no 95.0 29.3 2.484 8.491 6.007 8 0 yes 3.342 19 26
1 28 GLU QG 119 no 100.0 100.0 0.016 0.016 0.000 6 0 no 0.165 0 0
1 29 VAL QG 14 yes 100.0 42.0 7.725 18.396 10.671 16 2 yes 3.108 54 83
1 31 LYS QB 178 no 100.0 100.0 0.021 0.021 0.000 3 0 no 0.000 0 0
1 31 LYS QG 97 no 85.0 23.5 2.230 9.485 7.255 7 0 yes 2.060 40 67
1 32 ARG QB 28 no 100.0 62.1 1.158 1.865 0.707 12 4 no 0.568 0 2
1 32 ARG QD 90 no 65.0 0.2 0.012 5.307 5.295 8 6 yes 2.588 17 28
1 32 ARG QG 140 no 70.0 1.9 0.008 0.424 0.416 5 0 yes 1.044 1 10
1 33 LYS QB 35 no 100.0 91.3 5.123 5.609 0.486 11 3 no 0.699 0 8
1 34 LYS QB 96 no 55.0 100.0 0.042 0.042 0.000 7 0 no 0.000 0 0
1 36 VAL QG 13 no 100.0 63.6 2.058 3.234 1.177 16 2 yes 1.274 4 32
1 37 LEU QB 85 no 65.0 27.6 0.574 2.077 1.503 8 4 yes 1.697 15 23
1 37 LEU QD 16 no 65.0 19.5 4.362 22.407 18.045 15 6 yes 3.186 94 139
1 38 PHE QB 51 no 100.0 63.3 13.947 22.037 8.089 10 4 yes 3.333 29 54
1 38 PHE QD 109 no 50.0 0.3 0.027 10.417 10.390 7 5 yes 3.536 13 16
1 38 PHE QE 195 no 50.0 44.1 0.648 1.469 0.821 1 0 yes 2.752 7 9
1 39 CYS QB 188 no 100.0 100.0 0.007 0.007 0.000 2 0 no 0.254 0 0
1 40 LEU QD 18 no 100.0 82.2 11.306 13.760 2.453 14 1 yes 2.213 21 32
1 41 SER QB 15 no 100.0 31.0 0.483 1.557 1.074 15 2 no 0.575 0 6
1 42 GLU QB 95 no 80.0 28.2 0.003 0.010 0.007 7 0 no 0.124 0 0
1 43 ASP QB 165 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 44 LYS QB 194 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 44 LYS QG 169 no 55.0 31.6 0.795 2.518 1.723 4 1 yes 1.931 12 25
1 45 LYS QB 52 no 90.0 78.7 0.041 0.052 0.011 10 5 no 0.279 0 0
1 45 LYS QG 125 yes 85.0 20.2 0.295 1.464 1.169 6 1 yes 1.141 10 25
1 46 ASN QB 55 no 95.0 89.3 0.095 0.106 0.011 9 1 no 0.533 0 5
1 46 ASN QD 12 no 100.0 56.2 1.483 2.640 1.157 17 7 yes 1.421 9 25
1 49 LEU QB 61 no 100.0 1.4 1.449 106.900 105.451 9 3 yes 8.879 43 59
1 49 LEU QD 30 no 90.0 24.8 9.718 39.131 29.413 12 7 yes 4.611 65 103
1 50 GLU QG 130 no 90.0 3.4 0.619 18.357 17.738 6 2 yes 3.315 37 45
1 51 GLU QG 139 no 60.0 15.9 0.072 0.453 0.381 5 0 no 0.954 0 12
1 53 LYS QB 168 no 100.0 83.2 2.959 3.559 0.600 4 1 no 0.470 0 0
1 53 LYS QG 104 yes 100.0 22.9 0.829 3.626 2.798 7 2 yes 1.099 1 35
1 54 GLU QB 164 no 90.0 80.2 0.386 0.481 0.095 4 0 no 0.490 0 0
1 56 LEU QD 9 no 100.0 92.4 18.959 20.526 1.567 18 1 yes 2.757 4 27
1 57 VAL QG 5 yes 90.0 72.1 6.988 9.692 2.704 20 5 yes 1.721 20 44
1 58 GLY QA 124 yes 95.0 78.3 1.701 2.171 0.470 6 1 yes 1.049 2 17
1 60 VAL QG 50 no 45.0 8.0 0.594 7.457 6.863 10 4 yes 3.208 22 44
1 61 GLY QA 199 no 75.0 73.0 0.046 0.063 0.017 1 1 no 0.396 0 0
1 62 GLN QB 25 yes 75.0 29.8 0.512 1.720 1.208 12 2 yes 1.240 10 25
1 62 GLN QE 173 no 5.0 1.4 0.002 0.170 0.168 4 2 no 0.991 0 2
1 62 GLN QG 163 no 85.0 43.7 0.015 0.035 0.020 4 0 no 0.375 0 0
1 64 VAL QG 17 no 100.0 78.4 6.716 8.571 1.855 14 0 yes 1.368 20 38
1 66 ASP QB 118 no 95.0 62.8 0.249 0.397 0.148 6 0 yes 1.513 1 2
1 67 PRO QD 123 no 100.0 0.0 0.000 0.000 0.000 6 1 no 0.000 0 0
1 67 PRO QG 149 no 75.0 41.1 0.109 0.265 0.156 5 2 no 0.694 0 6
1 68 TYR QB 122 no 100.0 99.5 0.076 0.076 0.000 6 1 no 0.087 0 0
1 68 TYR QD 129 no 75.0 90.6 7.555 8.338 0.784 6 2 yes 1.007 1 9
1 68 TYR QE 198 yes 80.0 91.9 6.895 7.501 0.605 1 1 no 0.555 0 2
1 71 PHE QB 117 no 100.0 33.7 0.096 0.284 0.188 6 0 yes 1.856 2 2
1 71 PHE QD 167 no 95.0 85.6 1.568 1.833 0.265 4 1 yes 1.056 1 8
1 71 PHE QE 180 no 60.0 47.0 1.048 2.229 1.180 3 1 yes 2.096 15 16
1 72 VAL QG 10 no 55.0 38.8 8.990 23.147 14.157 18 6 yes 2.868 47 73
1 73 LYS QB 60 no 65.0 17.2 0.031 0.181 0.150 9 3 no 0.462 0 0
1 73 LYS QD 187 no 100.0 23.0 0.009 0.040 0.031 2 0 no 0.451 0 0
1 73 LYS QG 48 no 40.0 4.7 0.015 0.328 0.312 10 3 no 0.714 0 8
1 74 MET QB 79 no 70.0 10.0 1.529 15.284 13.755 8 2 yes 3.044 32 53
1 74 MET QG 74 yes 95.0 77.4 0.851 1.100 0.248 8 1 no 0.875 0 2
1 75 LEU QB 49 no 55.0 4.4 0.007 0.164 0.157 10 4 no 0.324 0 0
1 75 LEU QD 40 no 70.0 51.7 0.770 1.489 0.718 11 7 yes 0.794 0 20
1 76 PRO QB 73 yes 95.0 84.1 0.140 0.167 0.027 8 1 no 0.433 0 0
1 76 PRO QD 37 yes 100.0 42.5 0.716 1.686 0.970 11 4 yes 1.166 13 14
1 76 PRO QG 162 yes 100.0 57.9 1.372 2.368 0.996 4 0 yes 1.013 1 34
1 77 ASP QB 161 no 100.0 94.9 0.030 0.031 0.002 4 0 no 0.242 0 0
1 78 LYS QB 138 no 65.0 100.0 0.003 0.003 0.000 5 0 no 0.000 0 0
1 78 LYS QD 144 no 100.0 28.1 2.931 10.431 7.500 5 1 yes 2.599 40 40
1 78 LYS QE 182 no 50.0 43.3 0.152 0.350 0.198 3 3 no 0.292 0 0
1 78 LYS QG 59 no 95.0 25.4 0.672 2.650 1.978 9 3 yes 1.224 22 44
1 79 ASP QB 116 no 70.0 7.0 0.064 0.907 0.844 6 0 yes 1.289 5 18
1 80 CYS QB 160 no 40.0 73.2 0.013 0.018 0.005 4 0 no 0.236 0 0
1 81 ARG QB 94 no 100.0 0.0 0.000 0.258 0.258 7 0 yes 0.541 0 17
1 82 TYR QB 131 no 100.0 98.5 0.586 0.595 0.009 6 3 no 0.000 0 0
1 82 TYR QD 83 no 95.0 93.8 18.986 20.241 1.255 8 3 yes 2.118 4 9
1 82 TYR QE 159 no 95.0 88.9 9.780 10.996 1.216 4 0 yes 3.209 3 7
1 84 LEU QB 64 no 90.0 21.6 0.526 2.439 1.913 9 4 yes 1.263 3 10
1 84 LEU QD 46 no 100.0 96.7 3.286 3.397 0.111 10 2 no 0.757 0 4
1 85 TYR QB 43 no 100.0 94.1 2.153 2.287 0.135 10 1 no 0.643 0 4
1 85 TYR QD 137 no 100.0 85.5 0.569 0.666 0.097 5 0 no 0.921 0 2
1 85 TYR QE 190 no 100.0 100.0 0.697 0.697 0.000 2 1 no 0.000 0 0
1 86 ASP QB 103 no 70.0 3.6 0.153 4.245 4.091 7 2 yes 1.024 1 5
1 89 TYR QB 84 yes 100.0 55.4 0.515 0.930 0.414 8 4 no 0.505 0 1
1 89 TYR QD 172 yes 95.0 99.4 1.005 1.011 0.006 4 2 no 0.234 0 0
1 89 TYR QE 148 no 60.0 36.8 0.334 0.908 0.574 5 2 yes 1.227 1 9
1 90 GLU QB 143 no 100.0 88.7 0.967 1.090 0.123 5 1 no 0.865 0 1
1 93 GLU QB 158 no 40.0 64.9 0.022 0.033 0.012 4 0 no 0.299 0 0
1 95 LYS QB 93 no 75.0 13.7 0.573 4.177 3.604 7 0 yes 2.849 18 19
1 96 LYS QB 157 no 100.0 100.0 0.003 0.003 0.000 4 0 no 0.244 0 0
1 96 LYS QG 24 yes 95.0 21.8 0.130 0.598 0.468 12 1 yes 1.291 1 9
1 97 GLU QB 136 no 100.0 98.2 0.011 0.011 0.000 5 0 no 0.056 0 0
1 97 GLU QG 53 no 15.0 0.4 0.003 0.750 0.747 9 0 yes 1.028 6 18
1 98 ASP QB 150 no 100.0 35.6 1.116 3.133 2.018 5 3 no 0.621 0 4
1 99 LEU QB 128 no 85.0 51.8 0.032 0.061 0.030 6 2 no 0.000 0 0
1 99 LEU QD 6 no 60.0 14.6 4.017 27.479 23.462 20 9 yes 4.127 121 192
1 100 VAL QG 8 yes 75.0 47.0 2.603 5.541 2.939 19 4 yes 1.658 21 42
1 101 PHE QB 31 yes 100.0 95.0 0.283 0.298 0.015 11 0 no 0.507 0 1
1 101 PHE QD 147 yes 90.0 99.7 0.442 0.444 0.001 5 2 no 0.140 0 0
1 101 PHE QE 193 no 75.0 89.3 0.287 0.322 0.034 1 0 no 0.546 0 2
1 103 PHE QB 68 no 95.0 91.0 0.044 0.048 0.004 8 0 no 0.480 0 0
1 103 PHE QD 177 no 65.0 99.8 0.365 0.366 0.001 3 0 no 0.112 0 0
1 104 TRP QB 100 no 100.0 97.7 0.028 0.029 0.001 7 1 no 0.434 0 0
1 106 PRO QB 115 no 100.0 99.0 1.209 1.221 0.012 6 0 no 0.236 0 0
1 106 PRO QD 114 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 106 PRO QG 92 no 100.0 72.5 0.343 0.472 0.130 7 0 no 0.514 0 1
1 107 GLU QG 78 yes 100.0 92.4 0.286 0.310 0.023 8 2 no 0.465 0 0
1 108 SER QB 135 no 70.0 22.5 0.008 0.037 0.029 5 0 no 0.278 0 0
1 110 PRO QB 134 yes 100.0 99.0 1.104 1.116 0.012 5 0 no 0.148 0 0
1 110 PRO QD 67 yes 100.0 100.0 0.196 0.196 0.000 8 0 no 0.000 0 0
1 110 PRO QG 113 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 111 LEU QB 57 no 100.0 70.3 1.532 2.180 0.648 9 2 yes 1.419 5 8
1 111 LEU QD 23 no 70.0 35.4 6.994 19.731 12.737 13 6 yes 3.809 60 96
1 114 LYS QB 77 yes 100.0 5.3 0.194 3.676 3.483 8 2 yes 1.600 11 20
1 114 LYS QD 156 no 85.0 26.0 0.150 0.578 0.427 4 0 yes 1.207 2 9
1 114 LYS QE 186 no 100.0 0.0 0.000 0.072 0.072 2 0 no 0.545 0 5
1 114 LYS QG 112 no 45.0 8.9 0.033 0.370 0.337 6 0 no 0.979 0 8
1 115 MET QG 45 no 65.0 5.8 0.220 3.759 3.539 10 2 yes 1.125 2 9
1 116 ILE QG 111 no 75.0 12.9 0.020 0.153 0.133 6 0 no 0.552 0 7
1 117 TYR QB 155 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 117 TYR QD 185 no 60.0 24.7 0.875 3.535 2.660 2 0 yes 2.514 14 20
1 117 TYR QE 192 no 60.0 26.6 1.658 6.238 4.580 1 0 yes 3.171 20 20
1 119 SER QB 133 no 65.0 16.0 0.003 0.021 0.018 5 0 no 0.370 0 0
1 120 SER QB 44 no 50.0 88.2 0.045 0.051 0.006 10 2 no 0.244 0 0
1 122 ASP QB 154 no 20.0 55.0 0.001 0.003 0.001 4 0 no 0.117 0 0
1 124 ILE QG 72 yes 100.0 88.6 0.310 0.349 0.040 8 1 no 0.213 0 0
1 125 LYS QB 34 yes 100.0 51.6 2.943 5.705 2.762 11 2 yes 1.286 20 68
1 125 LYS QG 56 yes 100.0 78.7 1.367 1.737 0.371 9 2 no 0.902 0 10
1 126 LYS QG 132 no 60.0 22.4 0.096 0.426 0.331 5 0 yes 1.027 1 9
1 128 LEU QB 99 yes 100.0 98.9 0.891 0.901 0.010 7 1 no 0.248 0 0
1 128 LEU QD 3 no 100.0 89.3 24.306 27.218 2.912 24 7 yes 1.758 9 30
1 133 HIS QB 108 no 65.0 6.8 0.018 0.264 0.246 7 4 no 0.137 0 0
1 134 GLU QG 91 yes 95.0 61.8 5.932 9.598 3.666 7 0 yes 2.361 25 33
1 135 LEU QB 82 no 90.0 64.4 0.188 0.291 0.104 8 3 no 0.462 0 0
1 135 LEU QD 11 yes 100.0 24.0 29.769 124.160 94.391 18 8 yes 5.369 174 201
1 136 GLN QB 171 no 40.0 26.1 0.007 0.028 0.020 4 2 no 0.354 0 0
1 136 GLN QE 174 no 100.0 93.7 0.300 0.321 0.020 4 3 no 0.354 0 0
1 136 GLN QG 89 no 85.0 0.2 0.162 70.859 70.696 8 5 yes 3.971 81 110
1 138 ASN QB 76 no 90.0 65.1 0.563 0.865 0.302 8 2 no 0.465 0 0
1 138 ASN QD 98 no 45.0 12.9 1.653 12.769 11.116 7 1 yes 3.764 27 30
1 139 CYS QB 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 140 TYR QB 179 no 95.0 97.0 0.002 0.002 0.000 3 1 no 0.000 0 0
1 140 TYR QD 146 no 100.0 86.1 3.581 4.160 0.579 5 2 yes 0.814 0 18
1 140 TYR QE 197 yes 100.0 98.3 1.965 2.000 0.035 1 1 no 0.208 0 0
1 141 GLU QB 145 no 65.0 77.3 0.052 0.068 0.015 5 2 no 0.236 0 0
1 141 GLU QG 127 no 65.0 77.3 0.052 0.068 0.015 6 2 no 0.236 0 0
1 142 GLU QG 110 no 100.0 98.3 0.094 0.096 0.002 6 0 no 0.069 0 0
1 143 VAL QG 7 yes 95.0 42.7 3.177 7.443 4.267 19 4 yes 1.458 13 45
1 144 LYS QB 75 no 60.0 24.2 0.075 0.311 0.236 8 2 yes 0.656 0 13
1 145 ASP QB 66 no 60.0 83.3 0.053 0.063 0.011 8 0 no 0.138 0 0
1 146 ARG QB 88 yes 85.0 57.7 0.700 1.213 0.513 8 5 no 0.851 0 13
1 146 ARG QD 107 no 85.0 16.3 0.150 0.920 0.770 7 4 no 0.851 0 13
1 146 ARG QG 39 no 100.0 67.5 2.011 2.979 0.968 11 6 no 0.709 0 6
1 147 CYS QB 153 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 149 LEU QB 36 yes 90.0 79.8 0.114 0.142 0.029 11 4 no 0.457 0 0
1 149 LEU QD 4 no 95.0 39.0 1.315 3.370 2.055 22 10 yes 1.510 2 39
1 151 GLU QB 102 no 80.0 53.1 0.224 0.421 0.198 7 2 no 0.594 0 5
1 151 GLU QG 126 no 85.0 48.7 0.229 0.470 0.241 6 2 no 0.594 0 4
1 152 LYS QB 71 yes 100.0 83.3 2.785 3.342 0.557 8 1 no 0.666 0 10
1 152 LYS QG 63 yes 75.0 15.8 0.238 1.504 1.266 9 4 yes 1.763 2 13
1 153 LEU QB 33 no 75.0 26.8 1.035 3.866 2.831 11 2 yes 2.102 17 60
1 153 LEU QD 20 no 85.0 63.4 4.718 7.436 2.718 14 6 yes 1.828 17 56
1 154 GLY QA 181 no 70.0 10.5 0.046 0.434 0.389 3 2 yes 0.599 0 21
1 155 GLY QA 176 no 50.0 66.2 0.008 0.013 0.004 3 0 no 0.159 0 0
1 156 SER QB 175 no 40.0 30.0 0.003 0.008 0.006 3 0 no 0.170 0 0
1 158 VAL QG 1 no 100.0 92.0 27.104 29.464 2.360 26 8 yes 2.243 6 26
1 159 ILE QG 70 no 45.0 63.0 0.243 0.385 0.143 8 1 no 0.936 0 1
1 160 SER QB 42 yes 90.0 22.5 3.045 13.545 10.501 10 1 yes 3.320 43 59
1 161 LEU QB 29 yes 100.0 37.8 1.424 3.768 2.344 12 6 yes 1.675 22 39
1 161 LEU QD 2 yes 80.0 11.0 0.955 8.688 7.733 25 14 yes 2.087 36 83
1 162 GLU QB 152 no 20.0 14.4 0.067 0.465 0.398 4 0 yes 2.344 2 3
1 162 GLU QG 151 no 80.0 9.4 0.021 0.222 0.201 4 0 no 0.622 0 9
1 163 GLY QA 191 no 100.0 0.0 0.000 0.000 0.000 1 0 no 0.000 0 0
1 164 LYS QB 65 no 100.0 35.3 0.046 0.130 0.084 9 7 no 0.306 0 0
1 164 LYS QG 87 yes 100.0 43.8 12.700 29.003 16.303 8 5 yes 3.588 20 40
1 165 PRO QB 183 no 100.0 26.9 0.005 0.019 0.014 2 0 no 0.150 0 0
1 165 PRO QD 86 no 100.0 2.6 0.022 0.854 0.832 8 5 yes 0.922 0 20
1 165 PRO QG 142 no 80.0 39.3 0.723 1.838 1.115 5 1 yes 0.907 0 26
1 166 LEU QB 101 no 100.0 99.6 0.022 0.022 0.000 7 2 no 0.000 0 0
1 166 LEU QD 38 yes 100.0 15.9 5.532 34.728 29.196 11 5 yes 4.095 24 37
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