NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445331 |
2kjc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kjc
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 740
_Distance_constraint_stats_list.Viol_count 1143
_Distance_constraint_stats_list.Viol_total 3386.386
_Distance_constraint_stats_list.Viol_max 0.782
_Distance_constraint_stats_list.Viol_rms 0.0467
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.1411
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 THR 0.029 0.029 7 0 "[ . 1 . 2 ]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 THR 0.039 0.029 7 0 "[ . 1 . 2 ]"
1 13 LEU 2.997 0.292 15 0 "[ . 1 . 2 ]"
1 14 GLU 0.010 0.007 9 0 "[ . 1 . 2 ]"
1 15 ARG 2.038 0.375 2 0 "[ . 1 . 2 ]"
1 16 VAL 5.893 0.357 11 0 "[ . 1 . 2 ]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 GLU 2.038 0.375 2 0 "[ . 1 . 2 ]"
1 19 ILE 3.764 0.336 2 0 "[ . 1 . 2 ]"
1 20 PHE 0.352 0.199 13 0 "[ . 1 . 2 ]"
1 21 LYS 0.598 0.268 13 0 "[ . 1 . 2 ]"
1 22 ALA 0.534 0.255 19 0 "[ . 1 . 2 ]"
1 23 LEU 1.623 0.282 15 0 "[ . 1 . 2 ]"
1 24 GLY 1.271 0.255 19 0 "[ . 1 . 2 ]"
1 25 ASP 0.374 0.223 9 0 "[ . 1 . 2 ]"
1 26 TYR 1.558 0.362 19 0 "[ . 1 . 2 ]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 ARG 2.410 0.255 11 0 "[ . 1 . 2 ]"
1 29 ILE 5.826 0.382 20 0 "[ . 1 . 2 ]"
1 30 ARG 1.091 0.180 10 0 "[ . 1 . 2 ]"
1 31 ILE 10.537 0.481 15 0 "[ . 1 . 2 ]"
1 32 MET 1.893 0.259 4 0 "[ . 1 . 2 ]"
1 33 GLU 2.563 0.288 16 0 "[ . 1 . 2 ]"
1 34 LEU 1.169 0.276 6 0 "[ . 1 . 2 ]"
1 35 LEU 4.169 0.270 17 0 "[ . 1 . 2 ]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 VAL 0.217 0.157 4 0 "[ . 1 . 2 ]"
1 38 SER 1.017 0.257 19 0 "[ . 1 . 2 ]"
1 39 GLU 0.239 0.185 21 0 "[ . 1 . 2 ]"
1 40 ALA 7.092 0.400 13 0 "[ . 1 . 2 ]"
1 41 SER 2.195 0.363 18 0 "[ . 1 . 2 ]"
1 42 VAL 7.307 0.518 6 1 "[ .+ 1 . 2 ]"
1 43 GLY 0.210 0.083 9 0 "[ . 1 . 2 ]"
1 44 HIS 0.045 0.026 19 0 "[ . 1 . 2 ]"
1 45 ILE 2.225 0.318 11 0 "[ . 1 . 2 ]"
1 46 SER 0.890 0.423 13 0 "[ . 1 . 2 ]"
1 47 HIS 2.927 0.485 18 0 "[ . 1 . 2 ]"
1 48 GLN 0.380 0.155 13 0 "[ . 1 . 2 ]"
1 49 LEU 3.255 0.521 1 1 "[+ . 1 . 2 ]"
1 50 ASN 2.993 0.485 18 0 "[ . 1 . 2 ]"
1 51 LEU 2.334 0.521 1 1 "[+ . 1 . 2 ]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 VAL 6.029 0.558 1 1 "[+ . 1 . 2 ]"
1 57 SER 1.787 0.348 4 0 "[ . 1 . 2 ]"
1 58 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 LEU 9.974 0.558 1 2 "[+ .- 1 . 2 ]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 LEU 0.761 0.168 9 0 "[ . 1 . 2 ]"
1 63 LEU 2.560 0.245 20 0 "[ . 1 . 2 ]"
1 64 LYS 1.848 0.305 13 0 "[ . 1 . 2 ]"
1 65 SER 0.061 0.042 7 0 "[ . 1 . 2 ]"
1 66 VAL 0.332 0.176 6 0 "[ . 1 . 2 ]"
1 67 HIS 0.295 0.295 12 0 "[ . 1 . 2 ]"
1 68 LEU 0.420 0.295 12 0 "[ . 1 . 2 ]"
1 69 VAL 1.858 0.305 13 0 "[ . 1 . 2 ]"
1 70 LYS 0.010 0.010 6 0 "[ . 1 . 2 ]"
1 71 ALA 0.517 0.139 1 0 "[ . 1 . 2 ]"
1 72 LYS 0.142 0.080 9 0 "[ . 1 . 2 ]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 GLN 0.575 0.307 9 0 "[ . 1 . 2 ]"
1 76 GLN 0.289 0.186 17 0 "[ . 1 . 2 ]"
1 77 SER 0.747 0.186 17 0 "[ . 1 . 2 ]"
1 78 MET 0.828 0.317 12 0 "[ . 1 . 2 ]"
1 79 ILE 2.640 0.363 18 0 "[ . 1 . 2 ]"
1 80 TYR 1.647 0.342 16 0 "[ . 1 . 2 ]"
1 81 SER 2.953 0.400 13 0 "[ . 1 . 2 ]"
1 82 LEU 1.565 0.310 2 0 "[ . 1 . 2 ]"
1 83 ASP 1.184 0.294 13 0 "[ . 1 . 2 ]"
1 84 ASP 3.099 0.310 2 0 "[ . 1 . 2 ]"
1 85 ILE 1.482 0.369 13 0 "[ . 1 . 2 ]"
1 86 HIS 2.027 0.291 16 0 "[ . 1 . 2 ]"
1 87 VAL 2.063 0.369 13 0 "[ . 1 . 2 ]"
1 88 ALA 0.094 0.094 13 0 "[ . 1 . 2 ]"
1 89 THR 1.808 0.345 2 0 "[ . 1 . 2 ]"
1 90 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 91 LEU 2.232 0.269 9 0 "[ . 1 . 2 ]"
1 92 LYS 1.390 0.345 2 0 "[ . 1 . 2 ]"
1 93 GLN 1.062 0.175 17 0 "[ . 1 . 2 ]"
1 94 ALA 2.929 0.254 17 0 "[ . 1 . 2 ]"
1 95 ILE 3.359 0.424 6 0 "[ . 1 . 2 ]"
1 96 HIS 3.154 0.254 17 0 "[ . 1 . 2 ]"
1 97 HIS 4.467 0.322 12 0 "[ . 1 . 2 ]"
1 98 ALA 0.555 0.252 21 0 "[ . 1 . 2 ]"
1 99 ASN 0.068 0.068 18 0 "[ . 1 . 2 ]"
1 100 HIS 1.098 0.252 21 0 "[ . 1 . 2 ]"
2 10 THR 0.180 0.139 10 0 "[ . 1 . 2 ]"
2 11 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 12 THR 0.180 0.139 10 0 "[ . 1 . 2 ]"
2 13 LEU 5.152 0.347 19 0 "[ . 1 . 2 ]"
2 14 GLU 0.124 0.088 18 0 "[ . 1 . 2 ]"
2 15 ARG 0.804 0.194 5 0 "[ . 1 . 2 ]"
2 16 VAL 6.607 0.424 6 0 "[ . 1 . 2 ]"
2 17 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 18 GLU 0.804 0.194 5 0 "[ . 1 . 2 ]"
2 19 ILE 3.115 0.267 15 0 "[ . 1 . 2 ]"
2 20 PHE 0.042 0.042 5 0 "[ . 1 . 2 ]"
2 21 LYS 0.652 0.233 9 0 "[ . 1 . 2 ]"
2 22 ALA 0.201 0.159 19 0 "[ . 1 . 2 ]"
2 23 LEU 1.170 0.282 15 0 "[ . 1 . 2 ]"
2 24 GLY 0.621 0.172 11 0 "[ . 1 . 2 ]"
2 25 ASP 0.010 0.010 20 0 "[ . 1 . 2 ]"
2 26 TYR 1.884 0.300 7 0 "[ . 1 . 2 ]"
2 27 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 28 ARG 3.326 0.340 5 0 "[ . 1 . 2 ]"
2 29 ILE 5.335 0.318 19 0 "[ . 1 . 2 ]"
2 30 ARG 1.276 0.340 5 0 "[ . 1 . 2 ]"
2 31 ILE 8.563 0.363 6 0 "[ . 1 . 2 ]"
2 32 MET 1.054 0.197 5 0 "[ . 1 . 2 ]"
2 33 GLU 1.899 0.247 7 0 "[ . 1 . 2 ]"
2 34 LEU 1.938 0.354 18 0 "[ . 1 . 2 ]"
2 35 LEU 3.140 0.377 16 0 "[ . 1 . 2 ]"
2 36 SER 0.046 0.046 8 0 "[ . 1 . 2 ]"
2 37 VAL 0.194 0.149 7 0 "[ . 1 . 2 ]"
2 38 SER 0.597 0.230 11 0 "[ . 1 . 2 ]"
2 39 GLU 0.117 0.070 11 0 "[ . 1 . 2 ]"
2 40 ALA 6.547 0.354 18 0 "[ . 1 . 2 ]"
2 41 SER 1.368 0.285 7 0 "[ . 1 . 2 ]"
2 42 VAL 12.582 0.782 11 5 "[ . 1+ *.- **]"
2 43 GLY 0.533 0.163 14 0 "[ . 1 . 2 ]"
2 44 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 45 ILE 2.187 0.228 13 0 "[ . 1 . 2 ]"
2 46 SER 0.481 0.174 6 0 "[ . 1 . 2 ]"
2 47 HIS 4.234 0.396 7 0 "[ . 1 . 2 ]"
2 48 GLN 0.056 0.048 18 0 "[ . 1 . 2 ]"
2 49 LEU 0.707 0.165 21 0 "[ . 1 . 2 ]"
2 50 ASN 3.083 0.396 7 0 "[ . 1 . 2 ]"
2 51 LEU 1.939 0.337 2 0 "[ . 1 . 2 ]"
2 52 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 55 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 56 VAL 8.034 0.398 5 0 "[ . 1 . 2 ]"
2 57 SER 2.227 0.457 13 0 "[ . 1 . 2 ]"
2 58 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 59 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 60 LEU 14.249 0.782 11 5 "[ . 1+ *.- **]"
2 61 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 62 LEU 0.593 0.148 7 0 "[ . 1 . 2 ]"
2 63 LEU 2.785 0.289 11 0 "[ . 1 . 2 ]"
2 64 LYS 1.573 0.355 10 0 "[ . 1 . 2 ]"
2 65 SER 0.110 0.059 5 0 "[ . 1 . 2 ]"
2 66 VAL 0.291 0.159 4 0 "[ . 1 . 2 ]"
2 67 HIS 0.919 0.288 4 0 "[ . 1 . 2 ]"
2 68 LEU 0.896 0.288 4 0 "[ . 1 . 2 ]"
2 69 VAL 2.671 0.486 1 0 "[ . 1 . 2 ]"
2 70 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 71 ALA 1.431 0.486 1 0 "[ . 1 . 2 ]"
2 72 LYS 0.095 0.095 2 0 "[ . 1 . 2 ]"
2 73 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 74 GLN 1.155 0.399 18 0 "[ . 1 . 2 ]"
2 76 GLN 0.496 0.215 16 0 "[ . 1 . 2 ]"
2 77 SER 1.011 0.215 16 0 "[ . 1 . 2 ]"
2 78 MET 0.857 0.307 17 0 "[ . 1 . 2 ]"
2 79 ILE 2.921 0.399 18 0 "[ . 1 . 2 ]"
2 80 TYR 1.437 0.242 18 0 "[ . 1 . 2 ]"
2 81 SER 2.867 0.324 17 0 "[ . 1 . 2 ]"
2 82 LEU 1.779 0.457 20 0 "[ . 1 . 2 ]"
2 83 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 84 ASP 2.214 0.322 12 0 "[ . 1 . 2 ]"
2 85 ILE 0.890 0.353 8 0 "[ . 1 . 2 ]"
2 86 HIS 2.981 0.277 3 0 "[ . 1 . 2 ]"
2 87 VAL 1.659 0.353 8 0 "[ . 1 . 2 ]"
2 88 ALA 0.295 0.210 9 0 "[ . 1 . 2 ]"
2 89 THR 1.816 0.280 11 0 "[ . 1 . 2 ]"
2 90 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 91 LEU 2.304 0.457 20 0 "[ . 1 . 2 ]"
2 92 LYS 2.166 0.406 7 0 "[ . 1 . 2 ]"
2 93 GLN 1.315 0.218 6 0 "[ . 1 . 2 ]"
2 94 ALA 2.649 0.253 12 0 "[ . 1 . 2 ]"
2 95 ILE 3.532 0.406 7 0 "[ . 1 . 2 ]"
2 96 HIS 3.130 0.280 1 0 "[ . 1 . 2 ]"
2 97 HIS 3.313 0.275 10 0 "[ . 1 . 2 ]"
2 98 ALA 0.567 0.275 10 0 "[ . 1 . 2 ]"
2 99 ASN 0.187 0.187 5 0 "[ . 1 . 2 ]"
2 100 HIS 1.167 0.275 10 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 THR H 1 11 ASP H 2.650 . 3.500 2.545 2.226 2.843 . 0 0 "[ . 1 . 2 ]" 1
2 1 10 THR H 1 12 THR H 3.400 . 5.000 4.298 3.626 5.029 0.029 7 0 "[ . 1 . 2 ]" 1
3 1 11 ASP H 1 12 THR H 2.650 . 3.500 2.605 2.330 3.085 . 0 0 "[ . 1 . 2 ]" 1
4 1 12 THR H 1 13 LEU H 2.650 . 3.500 2.772 2.536 3.081 . 0 0 "[ . 1 . 2 ]" 1
5 1 12 THR H 1 14 GLU H 3.400 . 5.000 4.098 3.530 5.007 0.007 9 0 "[ . 1 . 2 ]" 1
6 1 13 LEU H 1 14 GLU H 2.650 . 3.500 2.810 2.575 3.095 . 0 0 "[ . 1 . 2 ]" 1
7 1 13 LEU H 1 15 ARG H 3.400 . 5.000 4.308 3.621 4.867 . 0 0 "[ . 1 . 2 ]" 1
8 1 14 GLU H 1 15 ARG H 2.650 . 3.500 2.627 2.211 2.969 . 0 0 "[ . 1 . 2 ]" 1
9 1 14 GLU H 1 16 VAL H 3.400 . 5.000 4.163 3.618 5.000 0.000 12 0 "[ . 1 . 2 ]" 1
10 1 15 ARG H 1 16 VAL H 2.650 . 3.500 2.641 2.255 3.000 . 0 0 "[ . 1 . 2 ]" 1
11 1 15 ARG H 1 18 GLU H 3.400 . 5.000 5.040 4.716 5.375 0.375 2 0 "[ . 1 . 2 ]" 1
12 1 16 VAL H 1 17 THR H 2.650 . 3.500 2.738 2.456 2.969 . 0 0 "[ . 1 . 2 ]" 1
13 1 16 VAL H 1 18 GLU H 3.400 . 5.000 4.377 3.731 4.913 . 0 0 "[ . 1 . 2 ]" 1
14 1 16 VAL H 1 19 ILE H 3.400 . 5.000 5.152 4.937 5.336 0.336 2 0 "[ . 1 . 2 ]" 1
15 1 17 THR H 1 19 ILE H 3.400 . 5.000 3.947 3.599 4.984 . 0 0 "[ . 1 . 2 ]" 1
16 1 17 THR H 1 18 GLU H 2.650 . 3.500 2.528 2.220 2.871 . 0 0 "[ . 1 . 2 ]" 1
17 1 18 GLU H 1 19 ILE H 2.650 . 3.500 2.710 2.414 3.020 . 0 0 "[ . 1 . 2 ]" 1
18 1 19 ILE H 1 20 PHE H 2.650 . 3.500 2.749 2.339 3.099 . 0 0 "[ . 1 . 2 ]" 1
19 1 19 ILE H 1 21 LYS H 3.400 . 5.000 4.497 3.800 5.268 0.268 13 0 "[ . 1 . 2 ]" 1
20 1 20 PHE H 1 21 LYS H 2.650 . 3.500 2.799 2.506 3.184 . 0 0 "[ . 1 . 2 ]" 1
21 1 20 PHE H 1 22 ALA H 3.400 . 5.000 3.960 3.490 4.307 . 0 0 "[ . 1 . 2 ]" 1
22 1 21 LYS H 1 23 LEU H 4.400 . 7.000 4.252 3.840 4.819 . 0 0 "[ . 1 . 2 ]" 1
23 1 21 LYS H 1 24 GLY H 4.400 . 7.000 5.457 4.653 6.376 . 0 0 "[ . 1 . 2 ]" 1
24 1 21 LYS H 1 22 ALA H 2.650 . 3.500 2.839 2.200 3.026 . 0 0 "[ . 1 . 2 ]" 1
25 1 22 ALA H 1 23 LEU H 2.650 . 3.500 2.639 2.341 2.798 . 0 0 "[ . 1 . 2 ]" 1
26 1 22 ALA H 1 24 GLY H 3.400 . 5.000 4.263 3.679 5.255 0.255 19 0 "[ . 1 . 2 ]" 1
27 1 23 LEU H 1 24 GLY H 3.400 . 5.000 2.512 2.030 3.086 . 0 0 "[ . 1 . 2 ]" 1
28 1 23 LEU H 1 25 ASP H 4.400 . 7.000 5.887 4.493 7.223 0.223 9 0 "[ . 1 . 2 ]" 1
29 1 24 GLY H 1 25 ASP H 3.400 . 5.000 3.727 2.691 4.540 . 0 0 "[ . 1 . 2 ]" 1
30 1 25 ASP H 1 26 TYR H 4.400 . 7.000 4.165 3.429 4.630 . 0 0 "[ . 1 . 2 ]" 1
31 1 25 ASP H 1 28 ARG H 4.400 . 7.000 5.248 3.747 5.887 . 0 0 "[ . 1 . 2 ]" 1
32 1 26 TYR H 1 27 ASN H 2.650 . 3.500 2.741 2.380 3.257 . 0 0 "[ . 1 . 2 ]" 1
33 1 26 TYR H 1 28 ARG H 3.400 . 5.000 4.211 3.443 4.578 . 0 0 "[ . 1 . 2 ]" 1
34 1 26 TYR H 1 29 ILE H 3.400 . 5.000 5.053 4.902 5.362 0.362 19 0 "[ . 1 . 2 ]" 1
35 1 27 ASN H 1 29 ILE H 3.400 . 5.000 4.290 3.964 4.739 . 0 0 "[ . 1 . 2 ]" 1
36 1 27 ASN H 1 28 ARG H 2.650 . 3.500 2.731 2.389 2.980 . 0 0 "[ . 1 . 2 ]" 1
37 1 28 ARG H 1 30 ARG H 2.650 . 4.150 4.127 3.851 4.330 0.180 10 0 "[ . 1 . 2 ]" 1
38 1 28 ARG H 1 29 ILE H 2.650 . 3.500 2.581 2.455 2.725 . 0 0 "[ . 1 . 2 ]" 1
39 1 28 ARG H 1 31 ILE H 3.400 . 5.000 5.002 4.803 5.255 0.255 11 0 "[ . 1 . 2 ]" 1
40 1 29 ILE H 1 30 ARG H 2.650 . 3.500 2.700 2.505 2.955 . 0 0 "[ . 1 . 2 ]" 1
41 1 29 ILE H 1 31 ILE H 3.400 . 5.000 4.165 3.930 4.381 . 0 0 "[ . 1 . 2 ]" 1
42 1 29 ILE H 1 32 MET H 4.400 . 7.000 4.943 4.681 5.648 . 0 0 "[ . 1 . 2 ]" 1
43 1 30 ARG H 1 31 ILE H 2.650 . 3.500 2.547 2.439 2.716 . 0 0 "[ . 1 . 2 ]" 1
44 1 30 ARG H 1 32 MET H 3.400 . 5.000 4.088 3.832 4.849 . 0 0 "[ . 1 . 2 ]" 1
45 1 30 ARG H 1 33 GLU H 4.400 . 7.000 4.950 4.737 5.126 . 0 0 "[ . 1 . 2 ]" 1
46 1 31 ILE H 1 32 MET H 2.650 . 3.500 2.539 2.347 2.935 . 0 0 "[ . 1 . 2 ]" 1
47 1 31 ILE H 1 33 GLU H 3.400 . 5.000 4.056 3.903 4.219 . 0 0 "[ . 1 . 2 ]" 1
48 1 32 MET H 1 33 GLU H 2.650 . 3.500 2.608 2.367 2.942 . 0 0 "[ . 1 . 2 ]" 1
49 1 32 MET H 1 34 LEU H 3.400 . 5.000 4.213 3.767 4.880 . 0 0 "[ . 1 . 2 ]" 1
50 1 32 MET H 1 35 LEU H 3.400 . 5.000 5.072 4.836 5.259 0.259 4 0 "[ . 1 . 2 ]" 1
51 1 32 MET H 1 36 SER H 4.400 . 7.000 6.231 5.613 6.632 . 0 0 "[ . 1 . 2 ]" 1
52 1 33 GLU H 1 34 LEU H 2.650 . 3.500 2.671 2.429 3.060 . 0 0 "[ . 1 . 2 ]" 1
53 1 33 GLU H 1 35 LEU H 3.400 . 5.000 4.485 3.834 4.928 . 0 0 "[ . 1 . 2 ]" 1
54 1 33 GLU H 1 36 SER H 4.400 . 7.000 4.869 4.547 5.084 . 0 0 "[ . 1 . 2 ]" 1
55 1 34 LEU H 1 35 LEU H 2.650 . 3.500 2.802 2.587 2.952 . 0 0 "[ . 1 . 2 ]" 1
56 1 34 LEU H 1 36 SER H 3.400 . 5.000 3.922 3.531 4.954 . 0 0 "[ . 1 . 2 ]" 1
57 1 35 LEU H 1 36 SER H 2.650 . 3.500 2.772 2.539 3.059 . 0 0 "[ . 1 . 2 ]" 1
58 1 35 LEU H 1 38 SER H 3.400 . 5.000 4.983 4.698 5.257 0.257 19 0 "[ . 1 . 2 ]" 1
59 1 35 LEU H 1 37 VAL H 4.400 . 7.000 4.648 3.777 5.109 . 0 0 "[ . 1 . 2 ]" 1
60 1 36 SER H 1 37 VAL H 2.650 . 3.500 2.775 2.567 3.160 . 0 0 "[ . 1 . 2 ]" 1
61 1 36 SER H 1 38 SER H 3.400 . 5.000 4.047 3.591 4.852 . 0 0 "[ . 1 . 2 ]" 1
62 1 37 VAL H 1 38 SER H 2.650 . 3.500 2.679 2.409 2.918 . 0 0 "[ . 1 . 2 ]" 1
63 1 38 SER H 1 39 GLU H 3.400 . 5.000 4.199 3.938 4.394 . 0 0 "[ . 1 . 2 ]" 1
64 1 39 GLU H 1 40 ALA H 4.400 . 7.000 4.638 4.613 4.660 . 0 0 "[ . 1 . 2 ]" 1
65 1 40 ALA H 1 41 SER H 3.400 . 5.000 4.300 4.104 4.392 . 0 0 "[ . 1 . 2 ]" 1
66 1 40 ALA H 1 81 SER H 3.400 . 6.000 6.105 5.624 6.400 0.400 13 0 "[ . 1 . 2 ]" 1
67 1 40 ALA H 1 80 TYR H 2.650 . 4.300 4.186 3.451 4.642 0.342 16 0 "[ . 1 . 2 ]" 1
68 1 41 SER H 1 42 VAL H 4.400 . 7.000 4.521 4.354 4.592 . 0 0 "[ . 1 . 2 ]" 1
69 1 41 SER H 1 44 HIS H 4.400 . 7.000 3.837 3.423 4.345 . 0 0 "[ . 1 . 2 ]" 1
70 1 41 SER H 1 80 TYR H 3.400 . 6.000 5.788 5.007 6.212 0.212 6 0 "[ . 1 . 2 ]" 1
71 1 42 VAL H 1 43 GLY H 3.400 . 5.000 2.894 2.733 2.988 . 0 0 "[ . 1 . 2 ]" 1
72 1 42 VAL H 1 45 ILE H 3.400 . 5.000 5.014 4.589 5.318 0.318 11 0 "[ . 1 . 2 ]" 1
73 1 42 VAL H 1 44 HIS H 4.400 . 7.000 4.099 3.641 4.712 . 0 0 "[ . 1 . 2 ]" 1
74 1 42 VAL H 1 78 MET H 4.400 . 7.000 5.968 4.224 7.230 0.230 3 0 "[ . 1 . 2 ]" 1
75 1 43 GLY H 1 44 HIS H 4.400 . 7.000 2.741 2.591 2.965 . 0 0 "[ . 1 . 2 ]" 1
76 1 44 HIS H 1 45 ILE H 2.650 . 3.500 2.676 2.436 2.853 . 0 0 "[ . 1 . 2 ]" 1
77 1 45 ILE H 1 46 SER H 3.400 . 5.000 2.524 2.406 2.702 . 0 0 "[ . 1 . 2 ]" 1
78 1 46 SER H 1 47 HIS H 2.650 . 3.500 2.838 2.572 3.067 . 0 0 "[ . 1 . 2 ]" 1
79 1 47 HIS H 1 49 LEU H 3.400 . 5.000 4.536 4.155 4.944 . 0 0 "[ . 1 . 2 ]" 1
80 1 47 HIS H 1 50 ASN H 3.400 . 5.000 4.891 4.137 5.485 0.485 18 0 "[ . 1 . 2 ]" 1
81 1 48 GLN H 1 49 LEU H 2.650 . 3.500 2.607 2.198 3.355 . 0 0 "[ . 1 . 2 ]" 1
82 1 48 GLN H 1 50 ASN H 2.650 . 4.300 3.860 3.356 4.455 0.155 13 0 "[ . 1 . 2 ]" 1
83 1 49 LEU H 1 51 LEU H 3.400 . 6.000 5.263 3.764 6.521 0.521 1 1 "[+ . 1 . 2 ]" 1
84 1 51 LEU H 1 52 SER H 4.400 . 7.000 3.552 2.226 4.604 . 0 0 "[ . 1 . 2 ]" 1
85 1 52 SER H 1 56 VAL H 4.400 . 7.000 5.219 3.284 6.426 . 0 0 "[ . 1 . 2 ]" 1
86 1 55 ASN H 1 56 VAL H 2.650 . 3.500 2.605 2.464 2.725 . 0 0 "[ . 1 . 2 ]" 1
87 1 55 ASN H 1 57 SER H 3.400 . 5.000 4.002 3.861 4.146 . 0 0 "[ . 1 . 2 ]" 1
88 1 56 VAL H 1 57 SER H 2.650 . 3.500 2.561 2.425 2.703 . 0 0 "[ . 1 . 2 ]" 1
89 1 56 VAL H 1 58 HIS H 3.400 . 5.000 4.253 3.931 4.779 . 0 0 "[ . 1 . 2 ]" 1
90 1 57 SER H 1 58 HIS H 2.650 . 3.500 2.759 2.534 2.985 . 0 0 "[ . 1 . 2 ]" 1
91 1 57 SER H 1 60 LEU H 4.400 . 7.000 4.941 4.600 5.255 . 0 0 "[ . 1 . 2 ]" 1
92 1 57 SER H 1 59 GLN H 3.400 . 5.000 4.252 3.929 4.912 . 0 0 "[ . 1 . 2 ]" 1
93 1 58 HIS H 1 59 GLN H 2.650 . 3.500 2.709 2.408 2.949 . 0 0 "[ . 1 . 2 ]" 1
94 1 58 HIS H 1 60 LEU H 3.400 . 5.000 4.443 3.779 4.951 . 0 0 "[ . 1 . 2 ]" 1
95 1 59 GLN H 1 60 LEU H 2.650 . 3.500 2.848 2.540 3.089 . 0 0 "[ . 1 . 2 ]" 1
96 1 59 GLN H 1 61 LYS H 3.400 . 5.000 3.995 3.663 4.320 . 0 0 "[ . 1 . 2 ]" 1
97 1 60 LEU H 1 61 LYS H 2.650 . 3.500 2.784 2.521 2.934 . 0 0 "[ . 1 . 2 ]" 1
98 1 60 LEU H 1 62 LEU H 3.400 . 5.000 4.382 4.036 4.671 . 0 0 "[ . 1 . 2 ]" 1
99 1 60 LEU H 1 64 LYS H 4.400 . 7.000 6.401 6.092 6.745 . 0 0 "[ . 1 . 2 ]" 1
100 1 60 LEU H 1 63 LEU H 3.400 . 5.000 5.114 4.959 5.245 0.245 20 0 "[ . 1 . 2 ]" 1
101 1 61 LYS H 1 62 LEU H 2.650 . 3.500 2.580 2.497 2.686 . 0 0 "[ . 1 . 2 ]" 1
102 1 61 LYS H 1 64 LYS H 4.400 . 7.000 4.806 4.541 4.977 . 0 0 "[ . 1 . 2 ]" 1
103 1 61 LYS H 1 63 LEU H 4.400 . 7.000 4.195 3.922 4.549 . 0 0 "[ . 1 . 2 ]" 1
104 1 62 LEU H 1 63 LEU H 2.650 . 3.500 2.689 2.528 2.915 . 0 0 "[ . 1 . 2 ]" 1
105 1 62 LEU H 1 64 LYS H 3.400 . 5.000 3.977 3.756 4.209 . 0 0 "[ . 1 . 2 ]" 1
106 1 62 LEU H 1 65 SER H 4.400 . 7.000 5.113 4.834 5.381 . 0 0 "[ . 1 . 2 ]" 1
107 1 63 LEU H 1 64 LYS H 2.650 . 3.500 2.595 2.385 2.887 . 0 0 "[ . 1 . 2 ]" 1
108 1 63 LEU H 1 65 SER H 3.400 . 5.000 4.164 3.786 4.491 . 0 0 "[ . 1 . 2 ]" 1
109 1 64 LYS H 1 65 SER H 2.650 . 3.500 2.618 2.447 2.877 . 0 0 "[ . 1 . 2 ]" 1
110 1 64 LYS H 1 66 VAL H 3.400 . 5.000 4.462 3.940 5.116 0.116 17 0 "[ . 1 . 2 ]" 1
111 1 64 LYS H 1 69 VAL H 4.400 . 7.000 5.939 4.868 7.305 0.305 13 0 "[ . 1 . 2 ]" 1
112 1 64 LYS H 1 67 HIS H 4.400 . 7.000 5.245 4.527 6.038 . 0 0 "[ . 1 . 2 ]" 1
113 1 65 SER H 1 66 VAL H 2.650 . 3.500 2.699 2.371 3.031 . 0 0 "[ . 1 . 2 ]" 1
114 1 65 SER H 1 68 LEU H 4.400 . 7.000 5.256 4.596 5.780 . 0 0 "[ . 1 . 2 ]" 1
115 1 66 VAL H 1 67 HIS H 2.650 . 3.500 2.698 2.352 3.096 . 0 0 "[ . 1 . 2 ]" 1
116 1 66 VAL H 1 68 LEU H 3.400 . 6.000 3.749 3.346 4.057 . 0 0 "[ . 1 . 2 ]" 1
117 1 67 HIS H 1 68 LEU H 3.400 . 5.000 2.642 1.505 2.928 0.295 12 0 "[ . 1 . 2 ]" 1
118 1 68 LEU H 1 69 VAL H 3.400 . 5.000 3.128 2.202 4.527 . 0 0 "[ . 1 . 2 ]" 1
119 1 69 VAL H 1 70 LYS H 4.400 . 7.000 4.388 3.919 4.647 . 0 0 "[ . 1 . 2 ]" 1
120 1 70 LYS H 1 71 ALA H 4.400 . 7.000 4.326 4.081 4.500 . 0 0 "[ . 1 . 2 ]" 1
121 1 70 LYS H 1 83 ASP H 4.400 . 7.000 5.303 3.696 6.863 . 0 0 "[ . 1 . 2 ]" 1
122 1 70 LYS H 1 81 SER H 3.400 . 5.000 3.824 2.911 4.686 . 0 0 "[ . 1 . 2 ]" 1
123 1 72 LYS H 1 73 ARG H 3.400 . 5.000 4.328 3.950 4.478 . 0 0 "[ . 1 . 2 ]" 1
124 1 72 LYS H 1 79 ILE H 3.400 . 5.000 3.994 2.975 5.080 0.080 9 0 "[ . 1 . 2 ]" 1
125 1 73 ARG H 1 79 ILE H 4.400 . 7.000 5.684 4.925 6.083 . 0 0 "[ . 1 . 2 ]" 1
126 1 74 GLN H 1 77 SER H 3.400 . 5.000 4.034 2.949 5.020 0.020 8 0 "[ . 1 . 2 ]" 1
127 1 74 GLN H 1 79 ILE H 3.400 . 5.000 4.023 3.266 4.960 . 0 0 "[ . 1 . 2 ]" 1
128 1 74 GLN H 1 78 MET H 4.400 . 7.000 5.241 4.710 5.550 . 0 0 "[ . 1 . 2 ]" 1
129 1 76 GLN H 1 77 SER H 2.650 . 3.500 2.559 1.614 3.570 0.186 17 0 "[ . 1 . 2 ]" 1
130 1 77 SER H 1 78 MET H 3.400 . 5.000 4.441 4.329 4.584 . 0 0 "[ . 1 . 2 ]" 1
131 1 78 MET H 1 79 ILE H 4.400 . 7.000 4.250 3.867 4.527 . 0 0 "[ . 1 . 2 ]" 1
132 1 81 SER H 1 82 LEU H 4.400 . 7.000 4.291 3.574 4.395 . 0 0 "[ . 1 . 2 ]" 1
133 1 82 LEU H 1 84 ASP H 4.400 . 7.000 6.306 5.300 7.310 0.310 2 0 "[ . 1 . 2 ]" 1
134 1 83 ASP H 1 84 ASP H 3.400 . 5.000 2.722 1.506 3.953 0.294 13 0 "[ . 1 . 2 ]" 1
135 1 84 ASP H 1 85 ILE H 4.400 . 7.000 3.742 1.871 4.356 . 0 0 "[ . 1 . 2 ]" 1
136 1 84 ASP H 1 87 VAL H 4.400 . 7.000 4.153 3.008 5.547 . 0 0 "[ . 1 . 2 ]" 1
137 1 84 ASP H 1 86 HIS H 3.400 . 6.000 4.041 3.185 4.826 . 0 0 "[ . 1 . 2 ]" 1
138 1 84 ASP H 1 88 ALA H 4.400 . 7.000 5.407 4.035 7.094 0.094 13 0 "[ . 1 . 2 ]" 1
139 1 85 ILE H 1 86 HIS H 3.400 . 5.000 2.554 1.509 3.984 0.291 16 0 "[ . 1 . 2 ]" 1
140 1 85 ILE H 1 87 VAL H 4.400 . 7.000 4.519 3.144 5.897 . 0 0 "[ . 1 . 2 ]" 1
141 1 86 HIS H 1 87 VAL H 2.650 . 3.500 2.490 1.558 3.242 0.242 4 0 "[ . 1 . 2 ]" 1
142 1 86 HIS H 1 88 ALA H 3.400 . 5.000 3.757 2.554 4.724 . 0 0 "[ . 1 . 2 ]" 1
143 1 86 HIS H 1 89 THR H 3.400 . 6.000 4.921 3.725 5.580 . 0 0 "[ . 1 . 2 ]" 1
144 1 87 VAL H 1 89 THR H 3.400 . 5.000 4.447 3.793 5.242 0.242 12 0 "[ . 1 . 2 ]" 1
145 1 87 VAL H 1 90 MET H 4.400 . 7.000 4.958 4.642 5.351 . 0 0 "[ . 1 . 2 ]" 1
146 1 88 ALA H 1 90 MET H 3.400 . 5.000 4.227 3.748 4.962 . 0 0 "[ . 1 . 2 ]" 1
147 1 88 ALA H 1 89 THR H 2.650 . 3.500 2.805 2.565 2.985 . 0 0 "[ . 1 . 2 ]" 1
148 1 88 ALA H 1 91 LEU H 4.400 . 7.000 5.055 4.593 5.412 . 0 0 "[ . 1 . 2 ]" 1
149 1 89 THR H 1 90 MET H 2.650 . 3.500 2.731 2.410 3.002 . 0 0 "[ . 1 . 2 ]" 1
150 1 89 THR H 1 91 LEU H 4.400 . 7.000 4.317 3.738 5.009 . 0 0 "[ . 1 . 2 ]" 1
151 1 90 MET H 1 91 LEU H 2.650 . 3.500 2.875 2.584 3.159 . 0 0 "[ . 1 . 2 ]" 1
152 1 91 LEU H 1 92 LYS H 2.650 . 3.500 2.773 2.597 3.014 . 0 0 "[ . 1 . 2 ]" 1
153 1 92 LYS H 1 93 GLN H 2.650 . 3.500 2.854 2.506 3.142 . 0 0 "[ . 1 . 2 ]" 1
154 1 92 LYS H 1 94 ALA H 3.400 . 5.000 4.028 3.779 4.267 . 0 0 "[ . 1 . 2 ]" 1
155 1 93 GLN H 1 94 ALA H 2.650 . 3.500 2.796 2.208 2.988 . 0 0 "[ . 1 . 2 ]" 1
156 1 93 GLN H 1 95 ILE H 3.400 . 5.000 4.856 4.209 5.175 0.175 17 0 "[ . 1 . 2 ]" 1
157 1 94 ALA H 1 96 HIS H 2.650 . 3.500 3.639 3.525 3.754 0.254 17 0 "[ . 1 . 2 ]" 1
158 1 95 ILE H 1 96 HIS H 2.650 . 3.500 2.661 2.509 2.783 . 0 0 "[ . 1 . 2 ]" 1
159 1 96 HIS H 1 99 ASN H 4.400 . 7.000 5.192 4.479 5.773 . 0 0 "[ . 1 . 2 ]" 1
160 1 96 HIS H 1 97 HIS H 2.650 . 3.500 2.646 2.460 3.029 . 0 0 "[ . 1 . 2 ]" 1
161 1 97 HIS H 1 98 ALA H 2.650 . 3.500 2.686 2.338 3.039 . 0 0 "[ . 1 . 2 ]" 1
162 1 97 HIS H 1 99 ASN H 4.400 . 7.000 4.555 3.804 5.450 . 0 0 "[ . 1 . 2 ]" 1
163 1 98 ALA H 1 99 ASN H 2.650 . 3.500 2.841 2.291 3.340 . 0 0 "[ . 1 . 2 ]" 1
164 1 98 ALA H 1 100 HIS H 4.400 . 7.000 5.928 3.833 7.252 0.252 21 0 "[ . 1 . 2 ]" 1
165 1 99 ASN H 1 100 HIS H 3.400 . 5.000 3.836 1.732 4.624 0.068 18 0 "[ . 1 . 2 ]" 1
166 1 89 THR H 1 92 LYS H 3.400 . 5.000 5.006 4.566 5.345 0.345 2 0 "[ . 1 . 2 ]" 1
167 1 29 ILE H 1 33 GLU H 4.400 . 7.000 6.469 6.172 6.677 . 0 0 "[ . 1 . 2 ]" 1
168 2 10 THR H 2 11 ASP H 2.650 . 3.500 2.612 2.270 2.864 . 0 0 "[ . 1 . 2 ]" 1
169 2 10 THR H 2 12 THR H 3.400 . 5.000 4.469 3.724 5.139 0.139 10 0 "[ . 1 . 2 ]" 1
170 2 11 ASP H 2 12 THR H 2.650 . 3.500 2.669 2.428 3.010 . 0 0 "[ . 1 . 2 ]" 1
171 2 12 THR H 2 13 LEU H 2.650 . 3.500 2.712 2.496 3.083 . 0 0 "[ . 1 . 2 ]" 1
172 2 12 THR H 2 14 GLU H 3.400 . 5.000 4.200 3.737 4.917 . 0 0 "[ . 1 . 2 ]" 1
173 2 13 LEU H 2 14 GLU H 2.650 . 3.500 2.774 2.439 3.002 . 0 0 "[ . 1 . 2 ]" 1
174 2 13 LEU H 2 15 ARG H 3.400 . 5.000 4.309 3.618 4.849 . 0 0 "[ . 1 . 2 ]" 1
175 2 14 GLU H 2 15 ARG H 2.650 . 3.500 2.664 2.359 2.933 . 0 0 "[ . 1 . 2 ]" 1
176 2 14 GLU H 2 16 VAL H 3.400 . 5.000 4.292 3.896 5.088 0.088 18 0 "[ . 1 . 2 ]" 1
177 2 15 ARG H 2 16 VAL H 2.650 . 3.500 2.716 2.404 3.039 . 0 0 "[ . 1 . 2 ]" 1
178 2 15 ARG H 2 18 GLU H 3.400 . 5.000 4.951 4.541 5.194 0.194 5 0 "[ . 1 . 2 ]" 1
179 2 16 VAL H 2 17 THR H 2.650 . 3.500 2.795 2.532 3.018 . 0 0 "[ . 1 . 2 ]" 1
180 2 16 VAL H 2 18 GLU H 3.400 . 5.000 4.331 3.913 4.873 . 0 0 "[ . 1 . 2 ]" 1
181 2 16 VAL H 2 19 ILE H 3.400 . 5.000 5.137 4.934 5.267 0.267 15 0 "[ . 1 . 2 ]" 1
182 2 17 THR H 2 19 ILE H 3.400 . 5.000 3.869 3.651 4.191 . 0 0 "[ . 1 . 2 ]" 1
183 2 17 THR H 2 18 GLU H 2.650 . 3.500 2.441 2.226 2.860 . 0 0 "[ . 1 . 2 ]" 1
184 2 18 GLU H 2 19 ILE H 2.650 . 3.500 2.600 2.504 2.745 . 0 0 "[ . 1 . 2 ]" 1
185 2 19 ILE H 2 20 PHE H 2.650 . 3.500 2.686 2.388 2.962 . 0 0 "[ . 1 . 2 ]" 1
186 2 19 ILE H 2 21 LYS H 3.400 . 5.000 4.521 4.299 4.862 . 0 0 "[ . 1 . 2 ]" 1
187 2 20 PHE H 2 21 LYS H 2.650 . 3.500 2.853 2.563 3.227 . 0 0 "[ . 1 . 2 ]" 1
188 2 20 PHE H 2 22 ALA H 3.400 . 5.000 3.918 3.648 4.291 . 0 0 "[ . 1 . 2 ]" 1
189 2 21 LYS H 2 23 LEU H 4.400 . 7.000 4.339 4.117 4.677 . 0 0 "[ . 1 . 2 ]" 1
190 2 21 LYS H 2 24 GLY H 4.400 . 7.000 5.544 4.548 6.483 . 0 0 "[ . 1 . 2 ]" 1
191 2 21 LYS H 2 22 ALA H 2.650 . 3.500 2.848 2.734 2.944 . 0 0 "[ . 1 . 2 ]" 1
192 2 22 ALA H 2 23 LEU H 2.650 . 3.500 2.691 2.521 2.835 . 0 0 "[ . 1 . 2 ]" 1
193 2 22 ALA H 2 24 GLY H 3.400 . 5.000 4.374 3.792 5.159 0.159 19 0 "[ . 1 . 2 ]" 1
194 2 23 LEU H 2 24 GLY H 3.400 . 5.000 2.536 1.710 3.166 0.090 5 0 "[ . 1 . 2 ]" 1
195 2 23 LEU H 2 25 ASP H 4.400 . 7.000 6.101 5.073 7.010 0.010 20 0 "[ . 1 . 2 ]" 1
196 2 24 GLY H 2 25 ASP H 3.400 . 5.000 3.888 2.252 4.595 . 0 0 "[ . 1 . 2 ]" 1
197 2 25 ASP H 2 26 TYR H 4.400 . 7.000 4.256 3.500 4.642 . 0 0 "[ . 1 . 2 ]" 1
198 2 25 ASP H 2 28 ARG H 4.400 . 7.000 5.275 4.322 5.976 . 0 0 "[ . 1 . 2 ]" 1
199 2 26 TYR H 2 27 ASN H 2.650 . 3.500 2.686 2.342 3.190 . 0 0 "[ . 1 . 2 ]" 1
200 2 26 TYR H 2 28 ARG H 3.400 . 5.000 4.324 3.577 4.853 . 0 0 "[ . 1 . 2 ]" 1
201 2 26 TYR H 2 29 ILE H 3.400 . 5.000 5.065 4.774 5.300 0.300 7 0 "[ . 1 . 2 ]" 1
202 2 27 ASN H 2 29 ILE H 3.400 . 5.000 4.150 3.767 4.526 . 0 0 "[ . 1 . 2 ]" 1
203 2 27 ASN H 2 28 ARG H 2.650 . 3.500 2.730 2.379 3.075 . 0 0 "[ . 1 . 2 ]" 1
204 2 28 ARG H 2 30 ARG H 2.650 . 4.150 4.158 3.879 4.490 0.340 5 0 "[ . 1 . 2 ]" 1
205 2 28 ARG H 2 29 ILE H 2.650 . 3.500 2.566 2.478 2.666 . 0 0 "[ . 1 . 2 ]" 1
206 2 28 ARG H 2 31 ILE H 3.400 . 5.000 5.059 4.856 5.224 0.224 2 0 "[ . 1 . 2 ]" 1
207 2 29 ILE H 2 30 ARG H 2.650 . 3.500 2.619 2.442 2.832 . 0 0 "[ . 1 . 2 ]" 1
208 2 29 ILE H 2 31 ILE H 3.400 . 5.000 4.126 3.860 4.416 . 0 0 "[ . 1 . 2 ]" 1
209 2 29 ILE H 2 32 MET H 4.400 . 7.000 4.987 4.762 5.397 . 0 0 "[ . 1 . 2 ]" 1
210 2 30 ARG H 2 31 ILE H 2.650 . 3.500 2.527 2.441 2.606 . 0 0 "[ . 1 . 2 ]" 1
211 2 30 ARG H 2 32 MET H 3.400 . 5.000 4.171 3.884 4.494 . 0 0 "[ . 1 . 2 ]" 1
212 2 30 ARG H 2 33 GLU H 4.400 . 7.000 4.907 4.659 5.158 . 0 0 "[ . 1 . 2 ]" 1
213 2 31 ILE H 2 32 MET H 2.650 . 3.500 2.596 2.392 2.821 . 0 0 "[ . 1 . 2 ]" 1
214 2 31 ILE H 2 33 GLU H 3.400 . 5.000 4.044 3.764 4.308 . 0 0 "[ . 1 . 2 ]" 1
215 2 32 MET H 2 33 GLU H 2.650 . 3.500 2.655 2.439 2.880 . 0 0 "[ . 1 . 2 ]" 1
216 2 32 MET H 2 34 LEU H 3.400 . 5.000 4.284 3.929 5.043 0.043 11 0 "[ . 1 . 2 ]" 1
217 2 32 MET H 2 35 LEU H 3.400 . 5.000 5.005 4.650 5.197 0.197 5 0 "[ . 1 . 2 ]" 1
218 2 32 MET H 2 36 SER H 4.400 . 7.000 6.338 5.802 6.716 . 0 0 "[ . 1 . 2 ]" 1
219 2 33 GLU H 2 34 LEU H 2.650 . 3.500 2.719 2.447 2.974 . 0 0 "[ . 1 . 2 ]" 1
220 2 33 GLU H 2 35 LEU H 3.400 . 5.000 4.322 3.666 4.781 . 0 0 "[ . 1 . 2 ]" 1
221 2 33 GLU H 2 36 SER H 4.400 . 7.000 4.909 4.535 5.408 . 0 0 "[ . 1 . 2 ]" 1
222 2 34 LEU H 2 35 LEU H 2.650 . 3.500 2.720 2.501 3.007 . 0 0 "[ . 1 . 2 ]" 1
223 2 34 LEU H 2 36 SER H 3.400 . 5.000 4.004 3.531 4.699 . 0 0 "[ . 1 . 2 ]" 1
224 2 35 LEU H 2 36 SER H 2.650 . 3.500 2.705 2.404 3.183 . 0 0 "[ . 1 . 2 ]" 1
225 2 35 LEU H 2 38 SER H 3.400 . 5.000 4.938 4.696 5.230 0.230 11 0 "[ . 1 . 2 ]" 1
226 2 35 LEU H 2 37 VAL H 4.400 . 7.000 4.498 4.026 4.904 . 0 0 "[ . 1 . 2 ]" 1
227 2 36 SER H 2 37 VAL H 2.650 . 3.500 2.674 2.401 3.142 . 0 0 "[ . 1 . 2 ]" 1
228 2 36 SER H 2 38 SER H 3.400 . 5.000 4.018 3.549 4.797 . 0 0 "[ . 1 . 2 ]" 1
229 2 37 VAL H 2 38 SER H 2.650 . 3.500 2.627 2.400 3.017 . 0 0 "[ . 1 . 2 ]" 1
230 2 38 SER H 2 39 GLU H 3.400 . 5.000 4.200 3.838 4.402 . 0 0 "[ . 1 . 2 ]" 1
231 2 39 GLU H 2 40 ALA H 4.400 . 7.000 4.630 4.588 4.653 . 0 0 "[ . 1 . 2 ]" 1
232 2 40 ALA H 2 41 SER H 3.400 . 5.000 4.315 4.194 4.394 . 0 0 "[ . 1 . 2 ]" 1
233 2 40 ALA H 2 81 SER H 3.400 . 6.000 6.110 5.886 6.324 0.324 17 0 "[ . 1 . 2 ]" 1
234 2 40 ALA H 2 80 TYR H 2.650 . 4.300 3.996 3.381 4.542 0.242 18 0 "[ . 1 . 2 ]" 1
235 2 41 SER H 2 42 VAL H 4.400 . 7.000 4.513 4.333 4.607 . 0 0 "[ . 1 . 2 ]" 1
236 2 41 SER H 2 44 HIS H 4.400 . 7.000 3.898 3.613 4.434 . 0 0 "[ . 1 . 2 ]" 1
237 2 41 SER H 2 80 TYR H 3.400 . 6.000 5.699 5.119 6.166 0.166 18 0 "[ . 1 . 2 ]" 1
238 2 42 VAL H 2 43 GLY H 3.400 . 5.000 2.875 2.734 2.970 . 0 0 "[ . 1 . 2 ]" 1
239 2 42 VAL H 2 45 ILE H 3.400 . 5.000 5.012 4.697 5.209 0.209 19 0 "[ . 1 . 2 ]" 1
240 2 42 VAL H 2 44 HIS H 4.400 . 7.000 4.036 3.612 4.546 . 0 0 "[ . 1 . 2 ]" 1
241 2 42 VAL H 2 78 MET H 4.400 . 7.000 5.839 5.059 7.057 0.057 8 0 "[ . 1 . 2 ]" 1
242 2 43 GLY H 2 44 HIS H 4.400 . 7.000 2.723 2.562 2.877 . 0 0 "[ . 1 . 2 ]" 1
243 2 44 HIS H 2 45 ILE H 2.650 . 3.500 2.667 2.444 2.899 . 0 0 "[ . 1 . 2 ]" 1
244 2 45 ILE H 2 46 SER H 3.400 . 5.000 2.514 2.332 2.688 . 0 0 "[ . 1 . 2 ]" 1
245 2 46 SER H 2 47 HIS H 2.650 . 3.500 2.832 2.642 3.035 . 0 0 "[ . 1 . 2 ]" 1
246 2 47 HIS H 2 49 LEU H 3.400 . 5.000 4.545 4.096 5.121 0.121 1 0 "[ . 1 . 2 ]" 1
247 2 47 HIS H 2 50 ASN H 3.400 . 5.000 4.982 4.442 5.396 0.396 7 0 "[ . 1 . 2 ]" 1
248 2 48 GLN H 2 49 LEU H 2.650 . 3.500 2.517 2.223 3.103 . 0 0 "[ . 1 . 2 ]" 1
249 2 48 GLN H 2 50 ASN H 2.650 . 4.300 3.858 3.253 4.348 0.048 18 0 "[ . 1 . 2 ]" 1
250 2 49 LEU H 2 51 LEU H 3.400 . 6.000 5.192 3.093 6.165 0.165 21 0 "[ . 1 . 2 ]" 1
251 2 51 LEU H 2 52 SER H 4.400 . 7.000 3.567 2.139 4.656 . 0 0 "[ . 1 . 2 ]" 1
252 2 52 SER H 2 56 VAL H 4.400 . 7.000 5.382 3.499 6.920 . 0 0 "[ . 1 . 2 ]" 1
253 2 55 ASN H 2 56 VAL H 2.650 . 3.500 2.615 2.476 2.756 . 0 0 "[ . 1 . 2 ]" 1
254 2 55 ASN H 2 57 SER H 3.400 . 5.000 4.041 3.856 4.518 . 0 0 "[ . 1 . 2 ]" 1
255 2 56 VAL H 2 57 SER H 2.650 . 3.500 2.548 2.410 2.690 . 0 0 "[ . 1 . 2 ]" 1
256 2 56 VAL H 2 58 HIS H 3.400 . 5.000 4.109 3.862 4.740 . 0 0 "[ . 1 . 2 ]" 1
257 2 57 SER H 2 58 HIS H 2.650 . 3.500 2.717 2.620 3.006 . 0 0 "[ . 1 . 2 ]" 1
258 2 57 SER H 2 60 LEU H 4.400 . 7.000 4.887 4.544 5.338 . 0 0 "[ . 1 . 2 ]" 1
259 2 57 SER H 2 59 GLN H 3.400 . 5.000 4.356 3.979 4.762 . 0 0 "[ . 1 . 2 ]" 1
260 2 58 HIS H 2 59 GLN H 2.650 . 3.500 2.649 2.420 2.937 . 0 0 "[ . 1 . 2 ]" 1
261 2 58 HIS H 2 60 LEU H 3.400 . 5.000 4.221 3.681 4.827 . 0 0 "[ . 1 . 2 ]" 1
262 2 59 GLN H 2 60 LEU H 2.650 . 3.500 2.828 2.477 3.129 . 0 0 "[ . 1 . 2 ]" 1
263 2 59 GLN H 2 61 LYS H 3.400 . 5.000 4.064 3.795 4.608 . 0 0 "[ . 1 . 2 ]" 1
264 2 60 LEU H 2 61 LYS H 2.650 . 3.500 2.745 2.597 2.906 . 0 0 "[ . 1 . 2 ]" 1
265 2 60 LEU H 2 62 LEU H 3.400 . 5.000 4.303 3.978 4.615 . 0 0 "[ . 1 . 2 ]" 1
266 2 60 LEU H 2 64 LYS H 4.400 . 7.000 6.454 6.039 6.720 . 0 0 "[ . 1 . 2 ]" 1
267 2 60 LEU H 2 63 LEU H 3.400 . 5.000 5.102 4.820 5.289 0.289 11 0 "[ . 1 . 2 ]" 1
268 2 61 LYS H 2 62 LEU H 2.650 . 3.500 2.594 2.426 2.682 . 0 0 "[ . 1 . 2 ]" 1
269 2 61 LYS H 2 64 LYS H 4.400 . 7.000 4.860 4.582 5.059 . 0 0 "[ . 1 . 2 ]" 1
270 2 61 LYS H 2 63 LEU H 4.400 . 7.000 4.222 3.969 4.483 . 0 0 "[ . 1 . 2 ]" 1
271 2 62 LEU H 2 63 LEU H 2.650 . 3.500 2.645 2.377 2.883 . 0 0 "[ . 1 . 2 ]" 1
272 2 62 LEU H 2 64 LYS H 3.400 . 5.000 3.947 3.817 4.032 . 0 0 "[ . 1 . 2 ]" 1
273 2 62 LEU H 2 65 SER H 4.400 . 7.000 5.061 4.672 5.373 . 0 0 "[ . 1 . 2 ]" 1
274 2 63 LEU H 2 64 LYS H 2.650 . 3.500 2.595 2.383 2.892 . 0 0 "[ . 1 . 2 ]" 1
275 2 63 LEU H 2 65 SER H 3.400 . 5.000 4.160 3.854 4.443 . 0 0 "[ . 1 . 2 ]" 1
276 2 64 LYS H 2 65 SER H 2.650 . 3.500 2.583 2.399 2.888 . 0 0 "[ . 1 . 2 ]" 1
277 2 64 LYS H 2 66 VAL H 3.400 . 5.000 4.540 4.065 4.981 . 0 0 "[ . 1 . 2 ]" 1
278 2 64 LYS H 2 69 VAL H 4.400 . 7.000 6.014 5.196 7.355 0.355 10 0 "[ . 1 . 2 ]" 1
279 2 64 LYS H 2 67 HIS H 4.400 . 7.000 5.214 4.713 6.144 . 0 0 "[ . 1 . 2 ]" 1
280 2 65 SER H 2 66 VAL H 2.650 . 3.500 2.803 2.463 3.085 . 0 0 "[ . 1 . 2 ]" 1
281 2 65 SER H 2 68 LEU H 4.400 . 7.000 5.318 4.823 5.654 . 0 0 "[ . 1 . 2 ]" 1
282 2 66 VAL H 2 67 HIS H 2.650 . 3.500 2.669 2.298 3.083 . 0 0 "[ . 1 . 2 ]" 1
283 2 66 VAL H 2 68 LEU H 3.400 . 6.000 3.812 3.525 4.073 . 0 0 "[ . 1 . 2 ]" 1
284 2 67 HIS H 2 68 LEU H 3.400 . 5.000 2.489 1.512 2.772 0.288 4 0 "[ . 1 . 2 ]" 1
285 2 68 LEU H 2 69 VAL H 3.400 . 5.000 3.207 2.381 4.532 . 0 0 "[ . 1 . 2 ]" 1
286 2 69 VAL H 2 70 LYS H 4.400 . 7.000 4.386 4.133 4.651 . 0 0 "[ . 1 . 2 ]" 1
287 2 70 LYS H 2 71 ALA H 4.400 . 7.000 4.279 3.992 4.448 . 0 0 "[ . 1 . 2 ]" 1
288 2 70 LYS H 2 83 ASP H 4.400 . 7.000 5.169 3.789 6.244 . 0 0 "[ . 1 . 2 ]" 1
289 2 70 LYS H 2 81 SER H 3.400 . 5.000 3.660 3.104 4.349 . 0 0 "[ . 1 . 2 ]" 1
290 2 72 LYS H 2 73 ARG H 3.400 . 5.000 4.405 3.952 4.558 . 0 0 "[ . 1 . 2 ]" 1
291 2 72 LYS H 2 79 ILE H 3.400 . 5.000 3.852 3.095 5.095 0.095 2 0 "[ . 1 . 2 ]" 1
292 2 73 ARG H 2 79 ILE H 4.400 . 7.000 5.678 5.145 6.178 . 0 0 "[ . 1 . 2 ]" 1
293 2 74 GLN H 2 77 SER H 3.400 . 5.000 3.902 2.752 4.738 . 0 0 "[ . 1 . 2 ]" 1
294 2 74 GLN H 2 79 ILE H 3.400 . 5.000 4.060 3.414 5.033 0.033 12 0 "[ . 1 . 2 ]" 1
295 2 74 GLN H 2 78 MET H 4.400 . 7.000 5.311 4.800 5.704 . 0 0 "[ . 1 . 2 ]" 1
296 2 76 GLN H 2 77 SER H 2.650 . 3.500 2.421 1.585 3.061 0.215 16 0 "[ . 1 . 2 ]" 1
297 2 77 SER H 2 78 MET H 3.400 . 5.000 4.421 4.193 4.582 . 0 0 "[ . 1 . 2 ]" 1
298 2 78 MET H 2 79 ILE H 4.400 . 7.000 4.280 3.954 4.557 . 0 0 "[ . 1 . 2 ]" 1
299 2 81 SER H 2 82 LEU H 4.400 . 7.000 4.342 4.049 4.449 . 0 0 "[ . 1 . 2 ]" 1
300 2 82 LEU H 2 84 ASP H 4.400 . 7.000 6.075 4.290 7.244 0.244 18 0 "[ . 1 . 2 ]" 1
301 2 83 ASP H 2 84 ASP H 3.400 . 5.000 2.903 1.835 4.274 . 0 0 "[ . 1 . 2 ]" 1
302 2 84 ASP H 2 85 ILE H 4.400 . 7.000 3.770 2.320 4.520 . 0 0 "[ . 1 . 2 ]" 1
303 2 84 ASP H 2 87 VAL H 4.400 . 7.000 4.215 3.179 6.190 . 0 0 "[ . 1 . 2 ]" 1
304 2 84 ASP H 2 86 HIS H 3.400 . 6.000 4.330 3.356 6.062 0.062 16 0 "[ . 1 . 2 ]" 1
305 2 84 ASP H 2 88 ALA H 4.400 . 7.000 5.276 4.257 7.210 0.210 9 0 "[ . 1 . 2 ]" 1
306 2 85 ILE H 2 86 HIS H 3.400 . 5.000 2.835 1.552 4.438 0.248 11 0 "[ . 1 . 2 ]" 1
307 2 85 ILE H 2 87 VAL H 4.400 . 7.000 4.546 2.864 6.296 . 0 0 "[ . 1 . 2 ]" 1
308 2 86 HIS H 2 87 VAL H 2.650 . 3.500 2.529 1.523 3.255 0.277 3 0 "[ . 1 . 2 ]" 1
309 2 86 HIS H 2 88 ALA H 3.400 . 5.000 3.661 2.524 4.513 . 0 0 "[ . 1 . 2 ]" 1
310 2 86 HIS H 2 89 THR H 3.400 . 6.000 4.618 3.201 5.425 . 0 0 "[ . 1 . 2 ]" 1
311 2 87 VAL H 2 89 THR H 3.400 . 5.000 4.315 3.584 5.067 0.067 19 0 "[ . 1 . 2 ]" 1
312 2 87 VAL H 2 90 MET H 4.400 . 7.000 4.886 4.651 5.185 . 0 0 "[ . 1 . 2 ]" 1
313 2 88 ALA H 2 90 MET H 3.400 . 5.000 4.165 3.744 4.726 . 0 0 "[ . 1 . 2 ]" 1
314 2 88 ALA H 2 89 THR H 2.650 . 3.500 2.752 2.495 2.973 . 0 0 "[ . 1 . 2 ]" 1
315 2 88 ALA H 2 91 LEU H 4.400 . 7.000 5.062 4.659 5.302 . 0 0 "[ . 1 . 2 ]" 1
316 2 89 THR H 2 90 MET H 2.650 . 3.500 2.661 2.389 2.889 . 0 0 "[ . 1 . 2 ]" 1
317 2 89 THR H 2 91 LEU H 4.400 . 7.000 4.324 3.709 5.086 . 0 0 "[ . 1 . 2 ]" 1
318 2 90 MET H 2 91 LEU H 2.650 . 3.500 2.816 2.412 3.112 . 0 0 "[ . 1 . 2 ]" 1
319 2 91 LEU H 2 92 LYS H 2.650 . 3.500 2.761 2.566 3.048 . 0 0 "[ . 1 . 2 ]" 1
320 2 92 LYS H 2 93 GLN H 2.650 . 3.500 2.788 2.455 3.071 . 0 0 "[ . 1 . 2 ]" 1
321 2 92 LYS H 2 94 ALA H 3.400 . 5.000 4.030 3.649 4.351 . 0 0 "[ . 1 . 2 ]" 1
322 2 93 GLN H 2 94 ALA H 2.650 . 3.500 2.719 2.168 3.075 . 0 0 "[ . 1 . 2 ]" 1
323 2 93 GLN H 2 95 ILE H 3.400 . 5.000 4.781 4.099 5.218 0.218 6 0 "[ . 1 . 2 ]" 1
324 2 94 ALA H 2 96 HIS H 2.650 . 3.500 3.626 3.518 3.753 0.253 12 0 "[ . 1 . 2 ]" 1
325 2 95 ILE H 2 96 HIS H 2.650 . 3.500 2.652 2.464 2.773 . 0 0 "[ . 1 . 2 ]" 1
326 2 96 HIS H 2 99 ASN H 4.400 . 7.000 5.334 4.667 6.094 . 0 0 "[ . 1 . 2 ]" 1
327 2 96 HIS H 2 97 HIS H 2.650 . 3.500 2.586 2.399 2.802 . 0 0 "[ . 1 . 2 ]" 1
328 2 97 HIS H 2 98 ALA H 2.650 . 3.500 2.638 2.319 3.134 . 0 0 "[ . 1 . 2 ]" 1
329 2 97 HIS H 2 99 ASN H 4.400 . 7.000 4.505 3.771 5.432 . 0 0 "[ . 1 . 2 ]" 1
330 2 98 ALA H 2 99 ASN H 2.650 . 3.500 2.866 2.336 3.348 . 0 0 "[ . 1 . 2 ]" 1
331 2 98 ALA H 2 100 HIS H 4.400 . 7.000 5.890 3.830 7.275 0.275 10 0 "[ . 1 . 2 ]" 1
332 2 99 ASN H 2 100 HIS H 3.400 . 5.000 3.737 1.613 4.608 0.187 5 0 "[ . 1 . 2 ]" 1
333 2 89 THR H 2 92 LYS H 3.400 . 5.000 5.026 4.699 5.280 0.280 11 0 "[ . 1 . 2 ]" 1
334 2 29 ILE H 2 33 GLU H 4.400 . 7.000 6.383 5.991 6.646 . 0 0 "[ . 1 . 2 ]" 1
335 1 13 LEU QD 1 14 GLU H 4.400 . 7.000 3.744 2.950 4.127 . 0 0 "[ . 1 . 2 ]" 1
336 1 13 LEU QD 1 15 ARG H 4.400 . 7.000 4.951 4.139 5.804 . 0 0 "[ . 1 . 2 ]" 1
337 1 13 LEU QD 1 16 VAL H 3.400 . 5.000 4.416 3.424 4.921 . 0 0 "[ . 1 . 2 ]" 1
338 1 15 ARG H 1 16 VAL MG2 3.400 . 5.000 3.766 3.362 4.172 . 0 0 "[ . 1 . 2 ]" 1
339 1 16 VAL MG1 1 17 THR H 4.400 . 7.000 3.750 3.333 4.169 . 0 0 "[ . 1 . 2 ]" 1
340 1 16 VAL MG2 1 18 GLU H 4.400 . 7.000 5.237 4.269 5.902 . 0 0 "[ . 1 . 2 ]" 1
341 1 16 VAL QG 1 19 ILE H 3.400 . 5.000 4.502 4.167 4.858 . 0 0 "[ . 1 . 2 ]" 1
342 1 19 ILE MD 1 20 PHE H 3.400 . 5.000 4.252 3.774 4.646 . 0 0 "[ . 1 . 2 ]" 1
343 1 19 ILE MD 1 21 LYS H 4.400 . 7.000 6.364 5.875 6.938 . 0 0 "[ . 1 . 2 ]" 1
344 1 13 LEU H 1 13 LEU QD 2.620 . 3.440 3.117 1.685 3.732 0.292 15 0 "[ . 1 . 2 ]" 1
345 1 16 VAL H 1 16 VAL MG2 4.400 . 7.000 1.991 1.661 2.242 0.139 1 0 "[ . 1 . 2 ]" 1
346 1 16 VAL H 1 16 VAL MG1 4.400 . 7.000 3.330 1.900 3.755 . 0 0 "[ . 1 . 2 ]" 1
347 1 19 ILE H 1 19 ILE MD 3.400 . 5.000 3.544 2.647 4.285 . 0 0 "[ . 1 . 2 ]" 1
348 1 20 PHE H 1 23 LEU MD1 4.400 . 7.000 5.342 4.164 7.199 0.199 13 0 "[ . 1 . 2 ]" 1
349 1 20 PHE H 1 23 LEU MD2 4.400 . 7.000 5.842 4.211 6.921 . 0 0 "[ . 1 . 2 ]" 1
350 1 22 ALA H 1 23 LEU MD1 4.400 . 7.000 4.899 3.378 6.192 . 0 0 "[ . 1 . 2 ]" 1
351 1 22 ALA H 1 66 VAL MG2 4.400 . 7.000 5.451 4.664 6.756 . 0 0 "[ . 1 . 2 ]" 1
352 1 23 LEU MD1 1 24 GLY H 4.400 . 7.000 4.596 3.740 5.326 . 0 0 "[ . 1 . 2 ]" 1
353 1 23 LEU MD2 1 24 GLY H 4.400 . 7.000 4.641 3.540 5.535 . 0 0 "[ . 1 . 2 ]" 1
354 1 23 LEU H 1 66 VAL QG 4.400 . 7.000 5.581 5.028 6.823 . 0 0 "[ . 1 . 2 ]" 1
355 1 23 LEU H 1 68 LEU QD 4.400 . 7.000 5.215 4.294 6.652 . 0 0 "[ . 1 . 2 ]" 1
356 1 24 GLY H 1 68 LEU QD 4.400 . 8.000 6.692 5.219 8.070 0.070 13 0 "[ . 1 . 2 ]" 1
357 1 25 ASP H 1 29 ILE MD 4.400 . 7.000 5.241 2.528 7.057 0.057 19 0 "[ . 1 . 2 ]" 1
358 1 28 ARG H 1 31 ILE MD 3.400 . 5.000 4.482 4.098 5.227 0.227 14 0 "[ . 1 . 2 ]" 1
359 1 28 ARG H 1 63 LEU QD 4.400 . 7.000 5.980 4.938 7.122 0.122 9 0 "[ . 1 . 2 ]" 1
360 1 29 ILE H 1 29 ILE MD 4.400 . 7.000 3.414 1.699 4.304 0.101 21 0 "[ . 1 . 2 ]" 1
361 1 29 ILE H 1 31 ILE MD 3.400 . 5.000 5.153 4.563 5.382 0.382 20 0 "[ . 1 . 2 ]" 1
362 1 29 ILE MD 1 30 ARG H 4.400 . 7.000 4.544 3.876 4.955 . 0 0 "[ . 1 . 2 ]" 1
363 1 29 ILE MD 1 32 MET H 4.400 . 7.000 5.478 4.091 6.973 . 0 0 "[ . 1 . 2 ]" 1
364 1 29 ILE MD 1 33 GLU H 4.400 . 7.000 5.899 4.072 7.143 0.143 15 0 "[ . 1 . 2 ]" 1
365 1 31 ILE MD 1 32 MET H 4.400 . 7.000 4.432 3.785 4.849 . 0 0 "[ . 1 . 2 ]" 1
366 1 30 ARG H 1 49 LEU QD 4.400 2.800 6.000 5.340 4.323 6.031 0.031 5 0 "[ . 1 . 2 ]" 1
367 1 31 ILE H 1 31 ILE MD 4.400 . 7.000 3.195 1.835 3.513 . 0 0 "[ . 1 . 2 ]" 1
368 1 31 ILE H 1 49 LEU QD 3.400 . 5.000 4.949 4.341 5.481 0.481 15 0 "[ . 1 . 2 ]" 1
369 1 33 GLU H 1 35 LEU QD 4.400 . 7.000 5.342 4.515 6.259 . 0 0 "[ . 1 . 2 ]" 1
370 1 34 LEU MD1 1 39 GLU H 4.400 . 7.000 5.995 5.113 7.185 0.185 21 0 "[ . 1 . 2 ]" 1
371 1 34 LEU MD1 1 40 ALA H 3.400 . 6.000 5.767 4.705 6.276 0.276 6 0 "[ . 1 . 2 ]" 1
372 1 35 LEU H 1 35 LEU MD2 4.400 . 7.000 3.291 2.405 4.372 . 0 0 "[ . 1 . 2 ]" 1
373 1 35 LEU H 1 35 LEU MD1 4.400 . 7.000 3.274 1.758 4.299 0.042 4 0 "[ . 1 . 2 ]" 1
374 1 35 LEU QD 1 36 SER H 3.400 . 5.000 3.939 3.101 4.247 . 0 0 "[ . 1 . 2 ]" 1
375 1 35 LEU MD2 1 39 GLU H 4.400 . 7.000 5.333 4.323 6.266 . 0 0 "[ . 1 . 2 ]" 1
376 1 35 LEU MD2 1 40 ALA H 2.650 . 3.500 3.107 2.419 3.770 0.270 17 0 "[ . 1 . 2 ]" 1
377 1 35 LEU MD2 1 81 SER H 3.400 . 6.000 4.850 3.597 5.785 . 0 0 "[ . 1 . 2 ]" 1
378 1 37 VAL MG1 1 38 SER H 3.400 . 5.000 3.353 2.158 4.037 . 0 0 "[ . 1 . 2 ]" 1
379 1 37 VAL MG2 1 38 SER H 3.400 . 5.000 3.572 1.972 3.903 . 0 0 "[ . 1 . 2 ]" 1
380 1 37 VAL H 1 82 LEU QD 4.400 2.800 6.000 4.981 4.593 6.157 0.157 4 0 "[ . 1 . 2 ]" 1
381 1 36 SER H 1 37 VAL QG 3.400 . 5.000 3.918 3.305 4.290 . 0 0 "[ . 1 . 2 ]" 1
382 1 36 SER H 1 82 LEU QD 3.400 . 5.000 3.716 3.127 4.527 . 0 0 "[ . 1 . 2 ]" 1
383 1 41 SER H 1 79 ILE MD 3.400 . 6.000 5.637 4.023 6.363 0.363 18 0 "[ . 1 . 2 ]" 1
384 1 42 VAL H 1 45 ILE MD 4.400 . 7.000 4.936 3.915 6.693 . 0 0 "[ . 1 . 2 ]" 1
385 1 42 VAL H 1 56 VAL QG 4.400 2.800 6.400 5.301 4.778 6.074 . 0 0 "[ . 1 . 2 ]" 1
386 1 42 VAL QG 1 43 GLY H 4.400 . 7.000 2.654 1.717 3.147 0.083 9 0 "[ . 1 . 2 ]" 1
387 1 42 VAL QG 1 44 HIS H 4.400 . 7.000 4.324 3.614 4.799 . 0 0 "[ . 1 . 2 ]" 1
388 1 42 VAL MG2 1 57 SER H 3.400 . 5.000 4.796 3.648 5.348 0.348 4 0 "[ . 1 . 2 ]" 1
389 1 42 VAL MG2 1 60 LEU H 4.400 . 7.000 6.380 5.669 7.284 0.284 8 0 "[ . 1 . 2 ]" 1
390 1 42 VAL MG2 1 78 MET H 4.400 . 7.000 5.347 3.801 7.317 0.317 12 0 "[ . 1 . 2 ]" 1
391 1 45 ILE MD 1 46 SER H 3.400 . 5.000 4.569 3.789 5.122 0.122 17 0 "[ . 1 . 2 ]" 1
392 1 44 HIS H 1 45 ILE MD 4.400 . 7.000 5.178 2.870 6.462 . 0 0 "[ . 1 . 2 ]" 1
393 1 44 HIS H 1 56 VAL MG2 4.900 . 8.000 6.650 6.103 8.019 0.019 13 0 "[ . 1 . 2 ]" 1
394 1 44 HIS H 1 56 VAL MG1 4.900 . 8.000 6.814 5.422 8.026 0.026 19 0 "[ . 1 . 2 ]" 1
395 1 45 ILE H 1 56 VAL QG 4.400 . 7.000 4.656 3.702 5.514 . 0 0 "[ . 1 . 2 ]" 1
396 1 46 SER H 1 56 VAL QG 3.400 . 5.000 4.234 2.996 5.423 0.423 13 0 "[ . 1 . 2 ]" 1
397 1 47 HIS H 1 56 VAL MG2 4.400 . 7.000 6.501 5.297 7.271 0.271 13 0 "[ . 1 . 2 ]" 1
398 1 49 LEU H 1 49 LEU MD1 4.400 . 7.000 4.001 1.979 4.933 . 0 0 "[ . 1 . 2 ]" 1
399 1 49 LEU H 1 49 LEU MD2 4.400 . 7.000 4.086 2.477 4.881 . 0 0 "[ . 1 . 2 ]" 1
400 1 49 LEU MD1 1 50 ASN H 4.400 . 7.000 4.580 3.819 5.573 . 0 0 "[ . 1 . 2 ]" 1
401 1 49 LEU MD2 1 50 ASN H 4.400 . 7.000 4.578 3.441 5.349 . 0 0 "[ . 1 . 2 ]" 1
402 1 49 LEU QD 1 51 LEU H 4.400 . 7.000 5.212 3.951 6.615 . 0 0 "[ . 1 . 2 ]" 1
403 1 56 VAL QG 1 57 SER H 3.400 . 5.000 2.777 1.962 3.318 . 0 0 "[ . 1 . 2 ]" 1
404 1 56 VAL QG 1 58 HIS H 3.400 . 5.000 4.454 3.929 4.943 . 0 0 "[ . 1 . 2 ]" 1
405 1 56 VAL QG 1 59 GLN H 4.400 . 7.000 4.403 3.971 4.837 . 0 0 "[ . 1 . 2 ]" 1
406 1 56 VAL MG2 1 60 LEU H 3.400 . 5.000 5.073 3.759 5.558 0.558 1 1 "[+ . 1 . 2 ]" 1
407 1 57 SER H 1 60 LEU QD 4.400 . 7.000 4.843 3.987 5.677 . 0 0 "[ . 1 . 2 ]" 1
408 1 59 GLN H 1 60 LEU MD1 4.400 . 7.000 5.548 3.798 6.525 . 0 0 "[ . 1 . 2 ]" 1
409 1 59 GLN H 1 60 LEU MD2 4.400 . 7.000 5.964 4.543 6.568 . 0 0 "[ . 1 . 2 ]" 1
410 1 60 LEU MD1 1 61 LYS H 4.400 . 7.000 4.611 4.087 4.878 . 0 0 "[ . 1 . 2 ]" 1
411 1 60 LEU MD2 1 61 LYS H 4.400 . 7.000 4.643 4.266 5.108 . 0 0 "[ . 1 . 2 ]" 1
412 1 60 LEU H 1 60 LEU QD 3.400 . 5.000 3.130 1.869 3.684 . 0 0 "[ . 1 . 2 ]" 1
413 1 60 LEU QD 1 63 LEU H 4.400 . 7.000 4.676 3.885 5.183 . 0 0 "[ . 1 . 2 ]" 1
414 1 60 LEU QD 1 64 LYS H 4.400 . 7.000 4.891 3.432 5.818 . 0 0 "[ . 1 . 2 ]" 1
415 1 60 LEU QD 1 70 LYS H 4.400 . 7.000 5.573 4.758 6.922 . 0 0 "[ . 1 . 2 ]" 1
416 1 60 LEU MD2 1 80 TYR H 4.400 . 7.000 5.729 4.963 6.708 . 0 0 "[ . 1 . 2 ]" 1
417 1 60 LEU MD2 1 81 SER H 4.400 . 7.000 5.776 4.643 6.767 . 0 0 "[ . 1 . 2 ]" 1
418 1 62 LEU H 1 63 LEU QD 4.400 . 7.000 4.067 3.277 4.579 . 0 0 "[ . 1 . 2 ]" 1
419 1 62 LEU QD 1 63 LEU H 4.400 . 7.000 3.746 3.123 3.975 . 0 0 "[ . 1 . 2 ]" 1
420 1 62 LEU QD 1 64 LYS H 3.400 . 5.000 4.866 4.362 5.168 0.168 9 0 "[ . 1 . 2 ]" 1
421 1 62 LEU QD 1 65 SER H 4.400 . 7.000 4.504 3.566 5.237 . 0 0 "[ . 1 . 2 ]" 1
422 1 63 LEU QD 1 64 LYS H 3.400 . 5.000 3.960 3.672 4.122 . 0 0 "[ . 1 . 2 ]" 1
423 1 64 LYS H 1 66 VAL QG 4.400 . 7.000 4.659 4.250 5.314 . 0 0 "[ . 1 . 2 ]" 1
424 1 64 LYS H 1 69 VAL MG2 4.400 . 7.000 4.319 3.300 5.404 . 0 0 "[ . 1 . 2 ]" 1
425 1 66 VAL MG2 1 68 LEU H 4.270 . 6.740 3.607 1.798 4.373 0.002 18 0 "[ . 1 . 2 ]" 1
426 1 65 SER H 1 69 VAL QG 3.400 . 6.000 5.415 4.313 6.042 0.042 7 0 "[ . 1 . 2 ]" 1
427 1 66 VAL H 1 68 LEU QD 4.400 . 7.000 5.133 4.153 5.791 . 0 0 "[ . 1 . 2 ]" 1
428 1 66 VAL H 1 69 VAL MG2 4.400 . 7.000 5.929 4.772 7.176 0.176 6 0 "[ . 1 . 2 ]" 1
429 1 66 VAL QG 1 67 HIS H 4.400 . 7.000 3.336 2.701 3.752 . 0 0 "[ . 1 . 2 ]" 1
430 1 66 VAL QG 1 68 LEU H 4.400 . 7.000 2.821 1.780 3.603 0.020 16 0 "[ . 1 . 2 ]" 1
431 1 66 VAL QG 1 69 VAL H 4.400 . 7.000 4.960 3.647 6.703 . 0 0 "[ . 1 . 2 ]" 1
432 1 67 HIS H 1 68 LEU QD 4.400 . 7.000 5.181 3.788 5.843 . 0 0 "[ . 1 . 2 ]" 1
433 1 67 HIS H 1 69 VAL QG 4.400 . 7.000 5.207 4.222 6.699 . 0 0 "[ . 1 . 2 ]" 1
434 1 68 LEU QD 1 69 VAL H 3.400 . 5.000 3.870 2.521 4.403 . 0 0 "[ . 1 . 2 ]" 1
435 1 69 VAL QG 1 70 LYS H 4.400 . 7.000 2.472 1.790 3.369 0.010 6 0 "[ . 1 . 2 ]" 1
436 1 69 VAL QG 1 71 ALA H 3.400 . 5.000 4.653 3.926 5.139 0.139 1 0 "[ . 1 . 2 ]" 1
437 1 69 VAL QG 1 81 SER H 3.400 . 5.000 3.911 2.855 5.122 0.122 19 0 "[ . 1 . 2 ]" 1
438 1 72 LYS H 1 79 ILE MD 4.400 . 7.000 5.726 4.595 6.581 . 0 0 "[ . 1 . 2 ]" 1
439 1 74 GLN H 1 79 ILE MD 3.400 . 6.000 5.015 3.189 6.307 0.307 9 0 "[ . 1 . 2 ]" 1
440 1 77 SER H 1 79 ILE MD 4.400 . 7.000 5.532 3.740 7.139 0.139 9 0 "[ . 1 . 2 ]" 1
441 1 78 MET H 1 79 ILE MD 4.400 . 7.000 5.109 3.376 6.927 . 0 0 "[ . 1 . 2 ]" 1
442 1 79 ILE MD 1 80 TYR H 3.400 . 5.000 4.128 2.156 4.944 . 0 0 "[ . 1 . 2 ]" 1
443 1 85 ILE MD 1 87 VAL H 4.400 . 7.000 6.277 4.386 7.369 0.369 13 0 "[ . 1 . 2 ]" 1
444 1 87 VAL QG 1 88 ALA H 3.400 . 3.420 2.579 1.845 3.414 . 0 0 "[ . 1 . 2 ]" 1
445 1 84 ASP H 1 87 VAL QG 3.400 . 5.000 3.072 1.993 4.356 . 0 0 "[ . 1 . 2 ]" 1
446 1 87 VAL QG 1 89 THR H 4.400 . 5.540 4.466 3.803 5.009 . 0 0 "[ . 1 . 2 ]" 1
447 1 91 LEU MD1 1 92 LYS H 4.400 . 7.000 4.315 3.106 4.810 . 0 0 "[ . 1 . 2 ]" 1
448 1 91 LEU MD2 1 92 LYS H 4.400 . 7.000 4.121 3.143 4.709 . 0 0 "[ . 1 . 2 ]" 1
449 1 92 LYS H 1 95 ILE MD 4.400 . 7.000 5.789 4.411 7.036 0.036 9 0 "[ . 1 . 2 ]" 1
450 1 95 ILE MD 1 96 HIS H 3.400 . 5.000 4.437 3.875 5.168 0.168 9 0 "[ . 1 . 2 ]" 1
451 1 35 LEU MD1 1 80 TYR H 4.400 . 7.000 6.033 3.932 7.105 0.105 2 0 "[ . 1 . 2 ]" 1
452 1 35 LEU MD1 1 82 LEU H 4.400 . 7.000 5.187 2.678 7.004 0.004 3 0 "[ . 1 . 2 ]" 1
453 1 40 ALA H 1 60 LEU MD2 4.400 . 7.000 6.980 6.502 7.209 0.209 8 0 "[ . 1 . 2 ]" 1
454 1 82 LEU QD 1 88 ALA H 4.400 . 7.000 3.892 3.212 5.980 . 0 0 "[ . 1 . 2 ]" 1
455 1 95 ILE MD 1 97 HIS H 4.400 . 7.000 6.069 5.309 6.843 . 0 0 "[ . 1 . 2 ]" 1
456 1 16 VAL QG 1 20 PHE H 4.400 . 7.000 4.942 4.423 5.528 . 0 0 "[ . 1 . 2 ]" 1
457 1 33 GLU H 1 91 LEU MD1 3.400 . 5.000 4.607 3.610 5.269 0.269 9 0 "[ . 1 . 2 ]" 1
458 1 33 GLU H 1 91 LEU MD2 3.400 . 5.000 4.650 3.837 5.226 0.226 6 0 "[ . 1 . 2 ]" 1
459 1 34 LEU QD 1 35 LEU H 3.400 . 5.000 3.334 2.456 3.837 . 0 0 "[ . 1 . 2 ]" 1
460 1 34 LEU QD 1 36 SER H 3.400 . 5.000 4.379 3.969 4.936 . 0 0 "[ . 1 . 2 ]" 1
461 1 34 LEU QD 1 37 VAL H 3.400 . 5.000 3.983 3.467 5.059 0.059 5 0 "[ . 1 . 2 ]" 1
462 1 35 LEU QD 1 82 LEU H 3.400 . 5.000 4.256 2.667 4.946 . 0 0 "[ . 1 . 2 ]" 1
463 1 42 VAL H 1 60 LEU MD1 4.400 . 7.000 6.240 4.965 7.518 0.518 6 1 "[ .+ 1 . 2 ]" 1
464 1 82 LEU QD 1 84 ASP H 4.400 . 7.000 4.417 3.518 6.108 . 0 0 "[ . 1 . 2 ]" 1
465 1 87 VAL QG 1 90 MET H 3.650 . 6.150 4.555 4.067 4.931 . 0 0 "[ . 1 . 2 ]" 1
466 1 87 VAL QG 1 91 LEU H 3.060 . 5.560 4.551 3.382 5.162 . 0 0 "[ . 1 . 2 ]" 1
467 2 13 LEU QD 2 14 GLU H 4.400 . 7.000 3.761 2.989 4.303 . 0 0 "[ . 1 . 2 ]" 1
468 2 13 LEU MD2 2 15 ARG H 4.400 . 7.000 6.316 5.379 6.972 . 0 0 "[ . 1 . 2 ]" 1
469 2 13 LEU MD1 2 15 ARG H 4.400 . 7.000 5.236 4.183 6.265 . 0 0 "[ . 1 . 2 ]" 1
470 2 13 LEU MD1 2 16 VAL H 3.400 . 5.000 4.696 3.615 5.160 0.160 10 0 "[ . 1 . 2 ]" 1
471 2 15 ARG H 2 16 VAL MG2 3.400 . 5.000 3.754 3.258 4.206 . 0 0 "[ . 1 . 2 ]" 1
472 2 16 VAL MG1 2 17 THR H 4.400 . 7.000 3.845 2.957 4.251 . 0 0 "[ . 1 . 2 ]" 1
473 2 16 VAL MG2 2 18 GLU H 4.400 . 7.000 4.986 4.116 5.694 . 0 0 "[ . 1 . 2 ]" 1
474 2 16 VAL QG 2 19 ILE H 3.400 . 5.000 4.481 4.016 4.787 . 0 0 "[ . 1 . 2 ]" 1
475 2 19 ILE MD 2 20 PHE H 3.400 . 5.000 4.172 3.556 4.590 . 0 0 "[ . 1 . 2 ]" 1
476 2 19 ILE MD 2 21 LYS H 4.400 . 7.000 6.374 5.239 6.874 . 0 0 "[ . 1 . 2 ]" 1
477 2 13 LEU H 2 13 LEU QD 2.620 . 3.440 2.867 1.711 3.724 0.284 18 0 "[ . 1 . 2 ]" 1
478 2 16 VAL H 2 16 VAL MG2 4.400 . 7.000 1.982 1.601 2.222 0.199 1 0 "[ . 1 . 2 ]" 1
479 2 16 VAL H 2 16 VAL MG1 4.400 . 7.000 3.064 1.793 3.757 0.007 16 0 "[ . 1 . 2 ]" 1
480 2 19 ILE H 2 19 ILE MD 3.400 . 5.000 3.572 2.671 4.301 . 0 0 "[ . 1 . 2 ]" 1
481 2 20 PHE H 2 23 LEU MD1 4.400 . 7.000 5.443 4.081 7.042 0.042 5 0 "[ . 1 . 2 ]" 1
482 2 20 PHE H 2 23 LEU MD2 4.400 . 7.000 5.773 4.492 6.547 . 0 0 "[ . 1 . 2 ]" 1
483 2 22 ALA H 2 23 LEU MD1 4.400 . 7.000 4.812 3.297 6.301 . 0 0 "[ . 1 . 2 ]" 1
484 2 22 ALA H 2 66 VAL MG2 4.400 . 7.000 5.503 4.543 6.599 . 0 0 "[ . 1 . 2 ]" 1
485 2 23 LEU MD1 2 24 GLY H 4.400 . 7.000 4.520 3.535 5.613 . 0 0 "[ . 1 . 2 ]" 1
486 2 23 LEU MD2 2 24 GLY H 4.400 . 7.000 4.747 3.984 5.507 . 0 0 "[ . 1 . 2 ]" 1
487 2 23 LEU H 2 66 VAL QG 4.400 . 7.000 5.739 4.918 7.090 0.090 18 0 "[ . 1 . 2 ]" 1
488 2 23 LEU H 2 68 LEU QD 4.400 . 7.000 5.482 4.015 6.553 . 0 0 "[ . 1 . 2 ]" 1
489 2 24 GLY H 2 68 LEU QD 4.400 . 8.000 7.022 5.486 7.907 . 0 0 "[ . 1 . 2 ]" 1
490 2 25 ASP H 2 29 ILE MD 4.400 . 7.000 5.060 2.324 6.951 . 0 0 "[ . 1 . 2 ]" 1
491 2 28 ARG H 2 31 ILE MD 3.400 . 5.000 4.468 4.079 5.326 0.326 19 0 "[ . 1 . 2 ]" 1
492 2 28 ARG H 2 63 LEU QD 4.400 . 7.000 5.932 4.989 7.037 0.037 13 0 "[ . 1 . 2 ]" 1
493 2 29 ILE H 2 29 ILE MD 4.400 . 7.000 3.531 2.730 4.322 . 0 0 "[ . 1 . 2 ]" 1
494 2 29 ILE H 2 31 ILE MD 3.400 . 5.000 5.104 4.363 5.318 0.318 19 0 "[ . 1 . 2 ]" 1
495 2 29 ILE MD 2 30 ARG H 4.400 . 7.000 4.642 4.074 4.896 . 0 0 "[ . 1 . 2 ]" 1
496 2 29 ILE MD 2 32 MET H 4.400 . 7.000 6.119 4.687 6.720 . 0 0 "[ . 1 . 2 ]" 1
497 2 29 ILE MD 2 33 GLU H 4.400 . 7.000 6.387 5.444 7.239 0.239 15 0 "[ . 1 . 2 ]" 1
498 2 31 ILE MD 2 32 MET H 4.400 . 7.000 4.345 3.789 4.732 . 0 0 "[ . 1 . 2 ]" 1
499 2 30 ARG H 2 49 LEU QD 4.400 2.800 6.000 5.198 4.006 5.960 . 0 0 "[ . 1 . 2 ]" 1
500 2 31 ILE H 2 31 ILE MD 4.400 . 7.000 3.310 1.856 3.553 . 0 0 "[ . 1 . 2 ]" 1
501 2 31 ILE H 2 49 LEU QD 3.400 . 5.000 4.494 3.591 5.152 0.152 7 0 "[ . 1 . 2 ]" 1
502 2 33 GLU H 2 35 LEU QD 4.400 . 7.000 5.208 4.657 5.966 . 0 0 "[ . 1 . 2 ]" 1
503 2 34 LEU MD1 2 39 GLU H 4.400 . 7.000 6.161 5.323 7.070 0.070 11 0 "[ . 1 . 2 ]" 1
504 2 34 LEU MD1 2 40 ALA H 3.400 . 6.000 5.620 4.455 6.354 0.354 18 0 "[ . 1 . 2 ]" 1
505 2 35 LEU H 2 35 LEU MD2 4.400 . 7.000 3.165 2.322 4.324 . 0 0 "[ . 1 . 2 ]" 1
506 2 35 LEU H 2 35 LEU MD1 4.400 . 7.000 3.421 1.805 4.174 . 0 0 "[ . 1 . 2 ]" 1
507 2 35 LEU QD 2 36 SER H 3.400 . 5.000 4.009 3.090 4.295 . 0 0 "[ . 1 . 2 ]" 1
508 2 35 LEU MD2 2 39 GLU H 4.400 . 7.000 5.326 4.664 6.109 . 0 0 "[ . 1 . 2 ]" 1
509 2 35 LEU MD2 2 40 ALA H 2.650 . 3.500 3.106 2.505 3.728 0.228 7 0 "[ . 1 . 2 ]" 1
510 2 35 LEU MD2 2 81 SER H 3.400 . 6.000 5.017 3.818 6.007 0.007 13 0 "[ . 1 . 2 ]" 1
511 2 37 VAL MG1 2 38 SER H 3.400 . 5.000 3.521 2.180 4.003 . 0 0 "[ . 1 . 2 ]" 1
512 2 37 VAL MG2 2 38 SER H 3.400 . 5.000 3.434 2.017 3.978 . 0 0 "[ . 1 . 2 ]" 1
513 2 37 VAL H 2 82 LEU QD 4.400 2.800 6.000 4.866 4.371 5.504 . 0 0 "[ . 1 . 2 ]" 1
514 2 36 SER H 2 37 VAL QG 3.400 . 5.000 3.801 3.190 4.419 . 0 0 "[ . 1 . 2 ]" 1
515 2 36 SER H 2 82 LEU QD 3.400 . 5.000 3.685 3.043 4.893 . 0 0 "[ . 1 . 2 ]" 1
516 2 41 SER H 2 79 ILE MD 3.400 . 6.000 5.784 4.000 6.285 0.285 7 0 "[ . 1 . 2 ]" 1
517 2 42 VAL H 2 45 ILE MD 4.400 . 7.000 5.392 3.859 6.804 . 0 0 "[ . 1 . 2 ]" 1
518 2 42 VAL H 2 56 VAL QG 4.400 2.800 6.400 5.448 4.709 6.115 . 0 0 "[ . 1 . 2 ]" 1
519 2 42 VAL QG 2 43 GLY H 4.400 . 7.000 2.437 1.637 3.071 0.163 14 0 "[ . 1 . 2 ]" 1
520 2 42 VAL QG 2 44 HIS H 4.400 . 7.000 4.173 3.544 4.615 . 0 0 "[ . 1 . 2 ]" 1
521 2 42 VAL MG2 2 57 SER H 3.400 . 5.000 4.728 3.100 5.457 0.457 13 0 "[ . 1 . 2 ]" 1
522 2 42 VAL MG2 2 60 LEU H 4.400 . 7.000 6.386 5.270 7.464 0.464 12 0 "[ . 1 . 2 ]" 1
523 2 42 VAL MG2 2 78 MET H 4.400 . 7.000 5.590 4.155 7.307 0.307 17 0 "[ . 1 . 2 ]" 1
524 2 45 ILE MD 2 46 SER H 3.400 . 5.000 4.658 2.468 5.095 0.095 20 0 "[ . 1 . 2 ]" 1
525 2 44 HIS H 2 45 ILE MD 4.400 . 7.000 5.464 4.021 6.497 . 0 0 "[ . 1 . 2 ]" 1
526 2 44 HIS H 2 56 VAL MG2 4.900 . 8.000 6.958 5.497 7.773 . 0 0 "[ . 1 . 2 ]" 1
527 2 44 HIS H 2 56 VAL MG1 4.900 . 8.000 6.569 5.907 7.179 . 0 0 "[ . 1 . 2 ]" 1
528 2 45 ILE H 2 56 VAL QG 4.400 . 7.000 4.633 3.956 5.573 . 0 0 "[ . 1 . 2 ]" 1
529 2 46 SER H 2 56 VAL QG 3.400 . 5.000 4.416 3.520 5.174 0.174 6 0 "[ . 1 . 2 ]" 1
530 2 47 HIS H 2 56 VAL MG2 4.400 . 7.000 6.638 5.813 7.354 0.354 7 0 "[ . 1 . 2 ]" 1
531 2 49 LEU H 2 49 LEU MD1 4.400 . 7.000 3.491 1.953 4.484 . 0 0 "[ . 1 . 2 ]" 1
532 2 49 LEU H 2 49 LEU MD2 4.400 . 7.000 3.772 1.884 4.878 . 0 0 "[ . 1 . 2 ]" 1
533 2 49 LEU MD1 2 50 ASN H 4.400 . 7.000 4.450 2.584 5.617 . 0 0 "[ . 1 . 2 ]" 1
534 2 49 LEU MD2 2 50 ASN H 4.400 . 7.000 4.642 3.795 5.639 . 0 0 "[ . 1 . 2 ]" 1
535 2 49 LEU QD 2 51 LEU H 4.400 . 7.000 5.088 2.789 6.274 . 0 0 "[ . 1 . 2 ]" 1
536 2 56 VAL QG 2 57 SER H 3.400 . 5.000 2.918 1.817 3.349 . 0 0 "[ . 1 . 2 ]" 1
537 2 56 VAL QG 2 58 HIS H 3.400 . 5.000 4.374 3.738 4.750 . 0 0 "[ . 1 . 2 ]" 1
538 2 56 VAL QG 2 59 GLN H 4.400 . 7.000 4.309 3.861 4.668 . 0 0 "[ . 1 . 2 ]" 1
539 2 56 VAL MG2 2 60 LEU H 3.400 . 5.000 4.947 3.836 5.398 0.398 5 0 "[ . 1 . 2 ]" 1
540 2 57 SER H 2 60 LEU QD 4.400 . 7.000 4.945 3.965 5.852 . 0 0 "[ . 1 . 2 ]" 1
541 2 59 GLN H 2 60 LEU MD1 4.400 . 7.000 5.763 3.959 6.476 . 0 0 "[ . 1 . 2 ]" 1
542 2 59 GLN H 2 60 LEU MD2 4.400 . 7.000 5.949 4.704 6.583 . 0 0 "[ . 1 . 2 ]" 1
543 2 60 LEU MD1 2 61 LYS H 4.400 . 7.000 4.512 3.796 4.869 . 0 0 "[ . 1 . 2 ]" 1
544 2 60 LEU MD2 2 61 LYS H 4.400 . 7.000 4.618 4.339 4.953 . 0 0 "[ . 1 . 2 ]" 1
545 2 60 LEU H 2 60 LEU QD 3.400 . 5.000 3.238 1.761 3.717 0.039 20 0 "[ . 1 . 2 ]" 1
546 2 60 LEU QD 2 63 LEU H 4.400 . 7.000 4.499 3.594 5.196 . 0 0 "[ . 1 . 2 ]" 1
547 2 60 LEU QD 2 64 LYS H 4.400 . 7.000 4.720 3.045 5.758 . 0 0 "[ . 1 . 2 ]" 1
548 2 60 LEU QD 2 70 LYS H 4.400 . 7.000 5.676 4.551 6.855 . 0 0 "[ . 1 . 2 ]" 1
549 2 60 LEU MD2 2 80 TYR H 4.400 . 7.000 5.981 4.894 6.999 . 0 0 "[ . 1 . 2 ]" 1
550 2 60 LEU MD2 2 81 SER H 4.400 . 7.000 6.181 5.182 7.160 0.160 14 0 "[ . 1 . 2 ]" 1
551 2 62 LEU H 2 63 LEU QD 4.400 . 7.000 4.109 3.298 5.399 . 0 0 "[ . 1 . 2 ]" 1
552 2 62 LEU QD 2 63 LEU H 4.400 . 7.000 3.808 3.158 4.156 . 0 0 "[ . 1 . 2 ]" 1
553 2 62 LEU QD 2 64 LYS H 3.400 . 5.000 4.887 4.198 5.148 0.148 7 0 "[ . 1 . 2 ]" 1
554 2 62 LEU QD 2 65 SER H 4.400 . 7.000 4.541 3.512 5.190 . 0 0 "[ . 1 . 2 ]" 1
555 2 63 LEU QD 2 64 LYS H 3.400 . 5.000 3.943 3.670 4.195 . 0 0 "[ . 1 . 2 ]" 1
556 2 64 LYS H 2 66 VAL QG 4.400 . 7.000 4.745 4.101 5.760 . 0 0 "[ . 1 . 2 ]" 1
557 2 64 LYS H 2 69 VAL MG2 4.400 . 7.000 4.163 3.123 5.208 . 0 0 "[ . 1 . 2 ]" 1
558 2 66 VAL MG2 2 68 LEU H 4.270 . 6.740 3.522 1.847 4.450 . 0 0 "[ . 1 . 2 ]" 1
559 2 65 SER H 2 69 VAL QG 3.400 . 6.000 5.372 4.443 6.059 0.059 5 0 "[ . 1 . 2 ]" 1
560 2 66 VAL H 2 68 LEU QD 4.400 . 7.000 4.881 3.897 5.704 . 0 0 "[ . 1 . 2 ]" 1
561 2 66 VAL H 2 69 VAL MG2 4.400 . 7.000 5.842 4.740 6.823 . 0 0 "[ . 1 . 2 ]" 1
562 2 66 VAL QG 2 67 HIS H 4.400 . 7.000 3.186 1.641 3.619 0.159 4 0 "[ . 1 . 2 ]" 1
563 2 66 VAL QG 2 68 LEU H 4.400 . 7.000 2.833 1.777 3.808 0.023 19 0 "[ . 1 . 2 ]" 1
564 2 66 VAL QG 2 69 VAL H 4.400 . 7.000 5.054 3.521 6.885 . 0 0 "[ . 1 . 2 ]" 1
565 2 67 HIS H 2 68 LEU QD 4.400 . 7.000 4.610 2.460 5.617 . 0 0 "[ . 1 . 2 ]" 1
566 2 67 HIS H 2 69 VAL QG 4.400 . 7.000 5.043 4.114 6.115 . 0 0 "[ . 1 . 2 ]" 1
567 2 68 LEU QD 2 69 VAL H 3.400 . 5.000 3.970 3.333 4.424 . 0 0 "[ . 1 . 2 ]" 1
568 2 69 VAL QG 2 70 LYS H 4.400 . 7.000 2.655 1.888 3.381 . 0 0 "[ . 1 . 2 ]" 1
569 2 69 VAL QG 2 71 ALA H 3.400 . 5.000 4.707 3.903 5.486 0.486 1 0 "[ . 1 . 2 ]" 1
570 2 69 VAL QG 2 81 SER H 3.400 . 5.000 4.075 2.864 5.080 0.080 10 0 "[ . 1 . 2 ]" 1
571 2 72 LYS H 2 79 ILE MD 4.400 . 7.000 5.571 4.752 6.205 . 0 0 "[ . 1 . 2 ]" 1
572 2 74 GLN H 2 79 ILE MD 3.400 . 6.000 5.184 3.183 6.399 0.399 18 0 "[ . 1 . 2 ]" 1
573 2 77 SER H 2 79 ILE MD 4.400 . 7.000 5.899 3.625 7.169 0.169 13 0 "[ . 1 . 2 ]" 1
574 2 78 MET H 2 79 ILE MD 4.400 . 7.000 5.604 3.447 7.058 0.058 13 0 "[ . 1 . 2 ]" 1
575 2 79 ILE MD 2 80 TYR H 3.400 . 5.000 4.152 2.161 4.839 . 0 0 "[ . 1 . 2 ]" 1
576 2 85 ILE MD 2 87 VAL H 4.400 . 7.000 6.356 4.576 7.353 0.353 8 0 "[ . 1 . 2 ]" 1
577 2 87 VAL QG 2 88 ALA H 3.400 . 3.420 2.452 1.765 3.457 0.037 15 0 "[ . 1 . 2 ]" 1
578 2 84 ASP H 2 87 VAL QG 3.400 . 5.000 3.050 2.222 4.577 . 0 0 "[ . 1 . 2 ]" 1
579 2 87 VAL QG 2 89 THR H 4.400 . 5.540 4.368 3.741 5.013 . 0 0 "[ . 1 . 2 ]" 1
580 2 91 LEU MD1 2 92 LYS H 4.400 . 7.000 4.363 3.055 4.858 . 0 0 "[ . 1 . 2 ]" 1
581 2 91 LEU MD2 2 92 LYS H 4.400 . 7.000 4.198 3.513 4.791 . 0 0 "[ . 1 . 2 ]" 1
582 2 92 LYS H 2 95 ILE MD 4.400 . 7.000 6.131 4.570 7.406 0.406 7 0 "[ . 1 . 2 ]" 1
583 2 95 ILE MD 2 96 HIS H 3.400 . 5.000 4.745 4.228 5.280 0.280 1 0 "[ . 1 . 2 ]" 1
584 2 35 LEU MD1 2 80 TYR H 4.400 . 7.000 6.085 4.798 7.107 0.107 3 0 "[ . 1 . 2 ]" 1
585 2 35 LEU MD1 2 82 LEU H 4.400 . 7.000 5.212 3.709 6.669 . 0 0 "[ . 1 . 2 ]" 1
586 2 40 ALA H 2 60 LEU MD2 4.400 . 7.000 6.939 6.289 7.236 0.236 14 0 "[ . 1 . 2 ]" 1
587 2 82 LEU QD 2 88 ALA H 4.400 . 7.000 3.710 3.059 4.724 . 0 0 "[ . 1 . 2 ]" 1
588 2 95 ILE MD 2 97 HIS H 4.400 . 7.000 6.329 5.528 6.916 . 0 0 "[ . 1 . 2 ]" 1
589 2 16 VAL QG 2 20 PHE H 4.400 . 7.000 5.006 4.304 5.644 . 0 0 "[ . 1 . 2 ]" 1
590 2 33 GLU H 2 91 LEU MD1 3.400 . 5.000 4.579 3.755 5.247 0.247 7 0 "[ . 1 . 2 ]" 1
591 2 33 GLU H 2 91 LEU MD2 3.400 . 5.000 4.592 3.679 5.218 0.218 16 0 "[ . 1 . 2 ]" 1
592 2 34 LEU QD 2 35 LEU H 3.400 . 5.000 3.327 2.517 3.908 . 0 0 "[ . 1 . 2 ]" 1
593 2 34 LEU QD 2 36 SER H 3.400 . 5.000 4.446 3.915 5.046 0.046 8 0 "[ . 1 . 2 ]" 1
594 2 34 LEU QD 2 37 VAL H 3.400 . 5.000 4.212 3.666 5.149 0.149 7 0 "[ . 1 . 2 ]" 1
595 2 35 LEU QD 2 82 LEU H 3.400 . 5.000 4.532 3.677 5.377 0.377 16 0 "[ . 1 . 2 ]" 1
596 2 42 VAL H 2 60 LEU MD1 4.400 . 7.000 6.482 4.350 7.782 0.782 11 5 "[ . 1+ *.- **]" 1
597 2 82 LEU QD 2 84 ASP H 4.400 . 7.000 4.218 3.083 5.805 . 0 0 "[ . 1 . 2 ]" 1
598 2 87 VAL QG 2 90 MET H 3.650 . 6.150 4.481 4.118 4.936 . 0 0 "[ . 1 . 2 ]" 1
599 2 87 VAL QG 2 91 LEU H 3.060 . 5.560 4.548 3.719 5.088 . 0 0 "[ . 1 . 2 ]" 1
600 1 13 LEU QD 1 16 VAL MG1 3.400 . 6.000 3.847 3.213 4.828 . 0 0 "[ . 1 . 2 ]" 1
601 1 16 VAL MG2 1 19 ILE MD 4.400 . 7.000 4.049 2.841 6.866 . 0 0 "[ . 1 . 2 ]" 1
602 1 19 ILE MD 1 23 LEU MD2 4.400 . 7.000 5.897 4.718 7.220 0.220 2 0 "[ . 1 . 2 ]" 1
603 1 19 ILE MD 1 68 LEU MD1 4.400 . 7.300 4.522 2.671 6.071 . 0 0 "[ . 1 . 2 ]" 1
604 1 23 LEU MD1 1 29 ILE MD 4.400 . 7.000 3.981 1.944 5.902 . 0 0 "[ . 1 . 2 ]" 1
605 1 23 LEU MD2 1 29 ILE MD 4.400 . 7.000 3.751 2.147 5.495 . 0 0 "[ . 1 . 2 ]" 1
606 1 23 LEU MD2 1 68 LEU MD1 4.400 . 7.000 3.721 2.203 5.563 . 0 0 "[ . 1 . 2 ]" 1
607 1 23 LEU MD1 1 68 LEU MD1 4.400 . 7.000 3.914 2.519 5.007 . 0 0 "[ . 1 . 2 ]" 1
608 1 23 LEU MD1 1 68 LEU MD2 4.400 . 7.000 4.126 2.123 6.307 . 0 0 "[ . 1 . 2 ]" 1
609 1 23 LEU QD 1 91 LEU MD1 4.400 . 7.000 4.582 2.819 5.541 . 0 0 "[ . 1 . 2 ]" 1
610 1 29 ILE MD 1 91 LEU MD2 4.400 . 7.000 5.144 2.229 7.163 0.163 18 0 "[ . 1 . 2 ]" 1
611 1 31 ILE QG 1 45 ILE MD 3.400 . 5.000 2.794 2.074 3.936 . 0 0 "[ . 1 . 2 ]" 1
612 1 31 ILE MD 1 56 VAL MG2 3.400 . 5.000 4.383 2.996 5.201 0.201 7 0 "[ . 1 . 2 ]" 1
613 1 31 ILE MD 1 56 VAL MG1 3.400 . 5.000 4.207 3.063 5.243 0.243 8 0 "[ . 1 . 2 ]" 1
614 1 31 ILE MD 1 49 LEU QD 3.400 . 5.000 3.172 1.941 4.360 . 0 0 "[ . 1 . 2 ]" 1
615 1 31 ILE MD 1 51 LEU QD 3.400 . 6.600 6.021 4.025 7.009 0.409 4 0 "[ . 1 . 2 ]" 1
616 1 34 LEU QD 1 37 VAL QG 4.400 . 7.000 3.087 2.172 4.535 . 0 0 "[ . 1 . 2 ]" 1
617 1 34 LEU QD 1 45 ILE QG 4.400 . 6.000 3.164 2.032 4.403 . 0 0 "[ . 1 . 2 ]" 1
618 1 35 LEU QD 1 45 ILE MD 3.400 . 5.000 2.964 2.006 4.585 . 0 0 "[ . 1 . 2 ]" 1
619 1 35 LEU QD 1 63 LEU QD 4.400 . 7.300 4.523 2.805 6.071 . 0 0 "[ . 1 . 2 ]" 1
620 1 35 LEU MD1 1 82 LEU MD2 4.400 . 7.000 3.780 2.308 5.759 . 0 0 "[ . 1 . 2 ]" 1
621 1 35 LEU QD 1 60 LEU QD 3.400 . 6.000 3.487 2.887 4.237 . 0 0 "[ . 1 . 2 ]" 1
622 1 34 LEU QD 1 35 LEU QD 4.400 . 6.000 3.159 2.260 4.016 . 0 0 "[ . 1 . 2 ]" 1
623 1 42 VAL MG1 1 56 VAL MG2 3.400 . 5.000 3.411 2.049 5.174 0.174 17 0 "[ . 1 . 2 ]" 1
624 1 42 VAL MG2 1 60 LEU MD1 3.400 . 5.000 4.164 2.824 5.211 0.211 8 0 "[ . 1 . 2 ]" 1
625 1 45 ILE MD 1 60 LEU MD1 3.400 . 6.000 3.948 2.798 5.505 . 0 0 "[ . 1 . 2 ]" 1
626 1 45 ILE MD 1 60 LEU MD2 4.400 . 7.000 4.176 2.989 5.363 . 0 0 "[ . 1 . 2 ]" 1
627 1 45 ILE MD 1 56 VAL MG2 4.400 . 6.000 3.546 2.123 4.751 . 0 0 "[ . 1 . 2 ]" 1
628 1 60 LEU QD 1 63 LEU QD 3.400 . 6.000 2.727 2.237 3.812 . 0 0 "[ . 1 . 2 ]" 1
629 1 62 LEU QD 1 63 LEU QD 4.400 . 7.000 3.266 2.404 4.293 . 0 0 "[ . 1 . 2 ]" 1
630 1 62 LEU QD 1 66 VAL QG 4.400 . 7.000 4.121 2.111 5.660 . 0 0 "[ . 1 . 2 ]" 1
631 1 63 LEU MD1 1 69 VAL MG1 4.400 . 7.000 3.806 2.872 5.241 . 0 0 "[ . 1 . 2 ]" 1
632 1 63 LEU MD1 1 69 VAL MG2 4.400 . 7.000 3.221 2.245 5.651 . 0 0 "[ . 1 . 2 ]" 1
633 1 63 LEU MD2 1 69 VAL MG2 4.400 . 7.000 3.901 2.248 5.392 . 0 0 "[ . 1 . 2 ]" 1
634 1 63 LEU MD2 1 69 VAL MG1 4.400 . 7.000 4.696 2.227 6.292 . 0 0 "[ . 1 . 2 ]" 1
635 1 63 LEU QD 1 66 VAL QG 4.400 . 7.000 3.429 2.881 4.244 . 0 0 "[ . 1 . 2 ]" 1
636 1 63 LEU QD 1 68 LEU QD 4.400 . 7.000 3.183 2.332 4.205 . 0 0 "[ . 1 . 2 ]" 1
637 1 63 LEU QD 1 69 VAL QG 4.400 . 7.000 2.623 2.131 3.678 . 0 0 "[ . 1 . 2 ]" 1
638 1 68 LEU QD 1 87 VAL QG 4.400 . 7.000 2.713 2.052 4.036 . 0 0 "[ . 1 . 2 ]" 1
639 1 69 VAL QG 1 82 LEU QD 4.400 . 7.000 3.757 2.056 4.840 . 0 0 "[ . 1 . 2 ]" 1
640 1 82 LEU MD1 1 91 LEU MD2 4.400 . 7.000 5.755 4.183 7.139 0.139 13 0 "[ . 1 . 2 ]" 1
641 1 82 LEU MD2 1 91 LEU MD2 4.400 . 7.000 5.620 4.018 6.773 . 0 0 "[ . 1 . 2 ]" 1
642 1 82 LEU MD1 1 91 LEU MD1 4.400 . 7.000 5.851 3.324 7.109 0.109 11 0 "[ . 1 . 2 ]" 1
643 1 82 LEU MD2 1 91 LEU MD1 4.400 . 7.000 5.780 4.008 7.036 0.036 3 0 "[ . 1 . 2 ]" 1
644 1 82 LEU QD 1 87 VAL QG 4.400 . 7.000 2.558 2.032 3.146 . 0 0 "[ . 1 . 2 ]" 1
645 1 87 VAL QG 1 91 LEU QD 4.400 . 7.000 3.984 2.833 5.341 . 0 0 "[ . 1 . 2 ]" 1
646 1 91 LEU MD1 1 95 ILE MD 4.400 . 7.000 4.506 2.396 7.173 0.173 9 0 "[ . 1 . 2 ]" 1
647 1 91 LEU MD2 1 95 ILE MD 4.400 . 7.000 4.743 2.833 6.661 . 0 0 "[ . 1 . 2 ]" 1
648 2 13 LEU MD2 2 16 VAL MG1 3.400 . 6.000 5.372 3.611 6.231 0.231 19 0 "[ . 1 . 2 ]" 1
649 2 16 VAL MG2 2 19 ILE MD 4.400 . 7.000 4.209 2.973 6.184 . 0 0 "[ . 1 . 2 ]" 1
650 2 19 ILE MD 2 23 LEU MD2 4.400 . 7.000 5.776 4.325 7.128 0.128 18 0 "[ . 1 . 2 ]" 1
651 2 19 ILE MD 2 68 LEU MD1 4.400 . 7.300 4.681 3.259 5.935 . 0 0 "[ . 1 . 2 ]" 1
652 2 23 LEU MD1 2 29 ILE MD 4.400 . 7.000 4.233 2.352 5.784 . 0 0 "[ . 1 . 2 ]" 1
653 2 23 LEU MD2 2 29 ILE MD 4.400 . 7.000 4.146 2.350 6.499 . 0 0 "[ . 1 . 2 ]" 1
654 2 23 LEU MD2 2 68 LEU MD1 4.400 . 7.000 4.260 2.162 7.094 0.094 11 0 "[ . 1 . 2 ]" 1
655 2 23 LEU MD1 2 68 LEU MD1 4.400 . 7.000 4.464 2.120 6.087 . 0 0 "[ . 1 . 2 ]" 1
656 2 23 LEU MD1 2 68 LEU MD2 4.400 . 7.000 4.204 2.165 6.211 . 0 0 "[ . 1 . 2 ]" 1
657 2 23 LEU QD 2 91 LEU MD1 4.400 . 7.000 4.604 3.422 6.242 . 0 0 "[ . 1 . 2 ]" 1
658 2 29 ILE MD 2 91 LEU MD2 4.400 . 7.000 5.434 3.472 6.963 . 0 0 "[ . 1 . 2 ]" 1
659 2 31 ILE MD 2 45 ILE MD 3.400 . 5.000 3.915 2.611 4.735 . 0 0 "[ . 1 . 2 ]" 1
660 2 31 ILE MD 2 56 VAL MG2 3.400 . 5.000 4.041 2.843 5.216 0.216 14 0 "[ . 1 . 2 ]" 1
661 2 31 ILE MD 2 56 VAL MG1 3.400 . 5.000 4.176 2.926 5.363 0.363 6 0 "[ . 1 . 2 ]" 1
662 2 31 ILE MD 2 49 LEU QD 3.400 . 5.000 2.791 1.943 3.926 . 0 0 "[ . 1 . 2 ]" 1
663 2 31 ILE MD 2 51 LEU QD 3.400 . 6.600 5.992 3.810 6.937 0.337 2 0 "[ . 1 . 2 ]" 1
664 2 34 LEU QD 2 37 VAL QG 4.400 . 7.000 3.339 2.361 4.575 . 0 0 "[ . 1 . 2 ]" 1
665 2 34 LEU QD 2 45 ILE MD 3.400 . 5.000 3.667 1.811 5.228 0.228 13 0 "[ . 1 . 2 ]" 1
666 2 35 LEU QD 2 45 ILE MD 3.400 . 5.000 3.192 2.010 4.578 . 0 0 "[ . 1 . 2 ]" 1
667 2 35 LEU MD1 2 63 LEU QD 3.400 . 6.300 4.423 3.328 6.465 0.165 7 0 "[ . 1 . 2 ]" 1
668 2 35 LEU MD1 2 82 LEU MD2 4.400 . 7.000 3.712 2.093 5.814 . 0 0 "[ . 1 . 2 ]" 1
669 2 35 LEU QD 2 60 LEU QD 3.400 . 6.000 3.326 2.777 4.052 . 0 0 "[ . 1 . 2 ]" 1
670 2 34 LEU QD 2 35 LEU QD 4.400 . 6.000 2.992 2.118 4.004 . 0 0 "[ . 1 . 2 ]" 1
671 2 42 VAL MG1 2 56 VAL MG2 3.400 . 5.000 4.265 3.173 5.395 0.395 5 0 "[ . 1 . 2 ]" 1
672 2 42 VAL MG2 2 60 LEU MD1 3.400 . 5.000 4.447 2.379 5.418 0.418 14 0 "[ . 1 . 2 ]" 1
673 2 45 ILE MD 2 60 LEU MD1 3.400 . 6.000 4.170 2.092 6.180 0.180 19 0 "[ . 1 . 2 ]" 1
674 2 45 ILE MD 2 60 LEU MD2 3.400 . 6.000 4.120 2.645 6.025 0.025 16 0 "[ . 1 . 2 ]" 1
675 2 45 ILE MD 2 56 VAL MG2 4.400 . 6.000 3.449 2.032 5.575 . 0 0 "[ . 1 . 2 ]" 1
676 2 60 LEU QD 2 63 LEU QD 3.400 . 6.000 2.667 2.254 3.464 . 0 0 "[ . 1 . 2 ]" 1
677 2 62 LEU QD 2 63 LEU QD 4.400 . 7.000 3.562 2.220 5.259 . 0 0 "[ . 1 . 2 ]" 1
678 2 62 LEU QD 2 66 VAL QG 4.400 . 7.000 4.421 2.992 5.574 . 0 0 "[ . 1 . 2 ]" 1
679 2 63 LEU MD1 2 69 VAL MG1 4.400 . 7.000 4.181 2.825 6.520 . 0 0 "[ . 1 . 2 ]" 1
680 2 63 LEU MD1 2 69 VAL MG2 4.400 . 7.000 3.638 2.111 5.255 . 0 0 "[ . 1 . 2 ]" 1
681 2 63 LEU MD2 2 69 VAL MG2 4.400 . 7.000 3.445 2.185 4.969 . 0 0 "[ . 1 . 2 ]" 1
682 2 63 LEU MD2 2 69 VAL MG1 4.400 . 7.000 4.106 2.113 5.358 . 0 0 "[ . 1 . 2 ]" 1
683 2 63 LEU QD 2 66 VAL QG 4.400 . 7.000 3.683 2.670 4.987 . 0 0 "[ . 1 . 2 ]" 1
684 2 63 LEU QD 2 68 LEU QD 4.400 . 7.000 3.368 2.058 4.819 . 0 0 "[ . 1 . 2 ]" 1
685 2 63 LEU QD 2 69 VAL QG 4.400 . 7.000 2.579 1.927 3.473 . 0 0 "[ . 1 . 2 ]" 1
686 2 68 LEU QD 2 87 VAL QG 4.400 . 7.000 2.841 1.979 3.867 . 0 0 "[ . 1 . 2 ]" 1
687 2 69 VAL QG 2 82 LEU QD 4.400 . 7.000 3.680 2.285 4.747 . 0 0 "[ . 1 . 2 ]" 1
688 2 82 LEU MD1 2 91 LEU MD2 4.400 . 7.000 5.794 4.801 7.457 0.457 20 0 "[ . 1 . 2 ]" 1
689 2 82 LEU MD2 2 91 LEU MD2 4.400 . 7.000 5.592 4.573 7.023 0.023 16 0 "[ . 1 . 2 ]" 1
690 2 82 LEU MD1 2 91 LEU MD1 4.400 . 7.000 5.940 3.625 7.058 0.058 21 0 "[ . 1 . 2 ]" 1
691 2 82 LEU MD2 2 91 LEU MD1 4.400 . 7.000 5.731 3.166 7.196 0.196 2 0 "[ . 1 . 2 ]" 1
692 2 82 LEU QD 2 87 VAL QG 4.400 . 7.000 2.585 1.832 3.674 . 0 0 "[ . 1 . 2 ]" 1
693 2 87 VAL QG 2 91 LEU QD 4.400 . 7.000 4.064 2.749 5.045 . 0 0 "[ . 1 . 2 ]" 1
694 2 91 LEU MD1 2 95 ILE MD 4.400 . 7.000 4.821 2.888 7.023 0.023 3 0 "[ . 1 . 2 ]" 1
695 2 91 LEU MD2 2 95 ILE MD 4.400 . 7.000 4.814 2.531 6.503 . 0 0 "[ . 1 . 2 ]" 1
696 1 13 LEU H 2 95 ILE MD 4.400 . 7.000 6.333 4.914 7.279 0.279 9 0 "[ . 1 . 2 ]" 1
697 1 16 VAL H 2 95 ILE MD 4.400 . 7.000 6.152 3.902 7.357 0.357 11 0 "[ . 1 . 2 ]" 1
698 1 16 VAL MG1 2 95 ILE H 4.400 . 7.000 4.493 3.836 5.303 . 0 0 "[ . 1 . 2 ]" 1
699 1 16 VAL MG1 2 96 HIS H 4.400 . 7.000 6.278 5.077 6.938 . 0 0 "[ . 1 . 2 ]" 1
700 1 16 VAL MG1 2 97 HIS H 4.400 . 7.000 6.911 5.809 7.275 0.275 10 0 "[ . 1 . 2 ]" 1
701 1 87 VAL QG 2 97 HIS H 4.400 . 7.000 6.285 5.132 7.138 0.138 18 0 "[ . 1 . 2 ]" 1
702 1 19 ILE MD 2 98 ALA H 4.400 . 7.000 4.600 3.578 5.808 . 0 0 "[ . 1 . 2 ]" 1
703 1 19 ILE MD 2 97 HIS H 4.400 . 7.000 5.574 5.021 6.862 . 0 0 "[ . 1 . 2 ]" 1
704 1 21 LYS H 2 24 GLY H 4.400 . 8.000 7.450 6.391 8.172 0.172 11 0 "[ . 1 . 2 ]" 1
705 1 13 LEU QD 2 30 ARG H 4.400 . 7.000 4.396 3.671 5.016 . 0 0 "[ . 1 . 2 ]" 1
706 1 13 LEU QD 2 33 GLU H 4.400 . 7.000 6.066 5.215 6.930 . 0 0 "[ . 1 . 2 ]" 1
707 1 13 LEU QD 2 95 ILE MD 4.400 . 7.000 4.533 3.614 5.667 . 0 0 "[ . 1 . 2 ]" 1
708 1 16 VAL MG1 2 95 ILE MD 4.400 . 7.000 3.577 1.954 5.019 . 0 0 "[ . 1 . 2 ]" 1
709 1 16 VAL MG2 2 95 ILE MD 4.400 . 7.000 3.522 1.996 5.541 . 0 0 "[ . 1 . 2 ]" 1
710 1 16 VAL QG 2 29 ILE MD 4.400 . 7.000 3.184 2.132 5.164 . 0 0 "[ . 1 . 2 ]" 1
711 1 26 TYR QD 2 13 LEU QD 4.400 . 7.000 4.162 2.686 5.725 . 0 0 "[ . 1 . 2 ]" 1
712 1 23 LEU QD 2 20 PHE QD 4.400 . 7.000 3.707 2.569 5.259 . 0 0 "[ . 1 . 2 ]" 1
713 1 23 LEU QD 2 20 PHE QE 4.400 . 7.000 3.397 2.439 5.003 . 0 0 "[ . 1 . 2 ]" 1
714 1 23 LEU QD 2 23 LEU QD 4.400 . 6.000 5.745 4.969 6.282 0.282 15 0 "[ . 1 . 2 ]" 1
715 1 86 HIS HD1 2 100 HIS HE1 2.800 . 4.200 3.803 2.485 4.349 0.149 19 0 "[ . 1 . 2 ]" 1
716 1 97 HIS HA 2 86 HIS HD1 2.800 . 4.500 4.085 3.094 4.674 0.174 8 0 "[ . 1 . 2 ]" 1
717 1 84 ASP H 2 97 HIS HE1 2.800 . 4.600 4.573 4.200 4.752 0.152 9 0 "[ . 1 . 2 ]" 1
718 1 86 HIS QB 2 97 HIS QB 2.800 . 3.800 3.413 2.533 3.871 0.071 13 0 "[ . 1 . 2 ]" 1
719 1 95 ILE MD 2 13 LEU H 4.400 . 7.000 6.652 5.729 7.347 0.347 19 0 "[ . 1 . 2 ]" 1
720 1 95 ILE MD 2 16 VAL H 4.400 . 7.000 5.847 4.669 7.424 0.424 6 0 "[ . 1 . 2 ]" 1
721 1 95 ILE H 2 16 VAL MG1 4.400 . 7.000 4.462 4.061 4.804 . 0 0 "[ . 1 . 2 ]" 1
722 1 96 HIS H 2 16 VAL MG1 4.400 . 7.000 6.155 5.252 6.640 . 0 0 "[ . 1 . 2 ]" 1
723 1 97 HIS H 2 16 VAL MG1 4.400 . 7.000 6.903 5.602 7.308 0.308 8 0 "[ . 1 . 2 ]" 1
724 1 97 HIS H 2 87 VAL QG 4.400 . 7.000 6.047 4.307 7.298 0.298 17 0 "[ . 1 . 2 ]" 1
725 1 98 ALA H 2 19 ILE MD 4.400 . 7.000 4.649 3.735 5.814 . 0 0 "[ . 1 . 2 ]" 1
726 1 97 HIS H 2 19 ILE MD 4.400 . 7.000 5.640 4.787 7.033 0.033 20 0 "[ . 1 . 2 ]" 1
727 1 24 GLY H 2 21 LYS H 4.400 . 8.000 7.406 6.050 8.233 0.233 9 0 "[ . 1 . 2 ]" 1
728 1 30 ARG H 2 13 LEU MD1 4.400 . 7.000 5.460 3.945 7.170 0.170 13 0 "[ . 1 . 2 ]" 1
729 1 30 ARG H 2 13 LEU MD2 4.400 . 7.000 4.947 4.002 6.345 . 0 0 "[ . 1 . 2 ]" 1
730 1 33 GLU H 2 13 LEU MD2 4.400 . 7.000 6.786 6.024 7.288 0.288 16 0 "[ . 1 . 2 ]" 1
731 1 95 ILE MD 2 13 LEU MD2 4.400 . 7.000 6.034 3.686 6.880 . 0 0 "[ . 1 . 2 ]" 1
732 1 95 ILE MD 2 16 VAL MG1 4.400 . 7.000 3.072 1.841 5.045 . 0 0 "[ . 1 . 2 ]" 1
733 1 95 ILE MD 2 16 VAL MG2 4.400 . 7.000 3.461 2.095 5.873 . 0 0 "[ . 1 . 2 ]" 1
734 1 29 ILE MD 2 16 VAL QG 4.400 . 7.000 3.599 1.982 4.363 . 0 0 "[ . 1 . 2 ]" 1
735 1 20 PHE QD 2 23 LEU QD 4.400 . 6.000 3.622 2.918 4.540 . 0 0 "[ . 1 . 2 ]" 1
736 1 20 PHE QE 2 23 LEU QD 4.400 . 6.000 3.385 2.164 4.017 . 0 0 "[ . 1 . 2 ]" 1
737 1 100 HIS HE1 2 86 HIS HD1 2.800 . 4.200 3.695 2.583 4.354 0.154 2 0 "[ . 1 . 2 ]" 1
738 1 86 HIS HD1 2 97 HIS HA 2.800 . 4.500 4.160 3.162 4.629 0.129 10 0 "[ . 1 . 2 ]" 1
739 1 97 HIS HE1 2 84 ASP H 2.800 . 4.600 4.530 3.686 4.922 0.322 12 0 "[ . 1 . 2 ]" 1
740 1 97 HIS QB 2 86 HIS QB 2.800 . 3.800 3.312 2.703 4.062 0.262 2 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 188
_Distance_constraint_stats_list.Viol_count 1153
_Distance_constraint_stats_list.Viol_total 2568.806
_Distance_constraint_stats_list.Viol_max 0.580
_Distance_constraint_stats_list.Viol_rms 0.0666
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0310
_Distance_constraint_stats_list.Viol_average_violations_only 0.1061
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 THR 2.955 0.378 13 0 "[ . 1 . 2 ]"
1 11 ASP 1.662 0.357 8 0 "[ . 1 . 2 ]"
1 12 THR 0.515 0.107 2 0 "[ . 1 . 2 ]"
1 13 LEU 5.246 0.255 15 0 "[ . 1 . 2 ]"
1 14 GLU 8.201 0.378 13 0 "[ . 1 . 2 ]"
1 15 ARG 2.915 0.485 18 0 "[ . 1 . 2 ]"
1 16 VAL 1.020 0.123 21 0 "[ . 1 . 2 ]"
1 17 THR 1.252 0.187 19 0 "[ . 1 . 2 ]"
1 18 GLU 0.397 0.164 11 0 "[ . 1 . 2 ]"
1 19 ILE 1.967 0.485 18 0 "[ . 1 . 2 ]"
1 20 PHE 0.505 0.123 21 0 "[ . 1 . 2 ]"
1 21 LYS 1.252 0.187 19 0 "[ . 1 . 2 ]"
1 22 ALA 0.397 0.164 11 0 "[ . 1 . 2 ]"
1 23 LEU 0.713 0.196 19 0 "[ . 1 . 2 ]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 TYR 3.639 0.370 5 0 "[ . 1 . 2 ]"
1 27 ASN 1.826 0.316 11 0 "[ . 1 . 2 ]"
1 28 ARG 1.533 0.292 20 0 "[ . 1 . 2 ]"
1 29 ILE 0.582 0.180 10 0 "[ . 1 . 2 ]"
1 30 ARG 6.676 0.370 5 0 "[ . 1 . 2 ]"
1 31 ILE 2.065 0.316 11 0 "[ . 1 . 2 ]"
1 32 MET 1.825 0.292 20 0 "[ . 1 . 2 ]"
1 33 GLU 2.476 0.233 16 0 "[ . 1 . 2 ]"
1 34 LEU 3.593 0.241 10 0 "[ . 1 . 2 ]"
1 35 LEU 0.239 0.146 5 0 "[ . 1 . 2 ]"
1 36 SER 0.291 0.161 11 0 "[ . 1 . 2 ]"
1 37 VAL 1.894 0.233 16 0 "[ . 1 . 2 ]"
1 38 SER 0.555 0.172 5 0 "[ . 1 . 2 ]"
1 40 ALA 1.428 0.580 1 1 "[+ . 1 . 2 ]"
1 42 VAL 2.765 0.395 17 0 "[ . 1 . 2 ]"
1 43 GLY 1.360 0.241 16 0 "[ . 1 . 2 ]"
1 44 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 ILE 2.886 0.395 17 0 "[ . 1 . 2 ]"
1 46 SER 1.360 0.241 16 0 "[ . 1 . 2 ]"
1 47 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 GLN 0.121 0.081 13 0 "[ . 1 . 2 ]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 SER 0.645 0.144 13 0 "[ . 1 . 2 ]"
1 55 ASN 0.828 0.156 12 0 "[ . 1 . 2 ]"
1 56 VAL 0.145 0.097 12 0 "[ . 1 . 2 ]"
1 57 SER 2.338 0.288 7 0 "[ . 1 . 2 ]"
1 58 HIS 2.734 0.171 12 0 "[ . 1 . 2 ]"
1 59 GLN 1.035 0.156 12 0 "[ . 1 . 2 ]"
1 60 LEU 0.291 0.097 12 0 "[ . 1 . 2 ]"
1 61 LYS 3.482 0.288 7 0 "[ . 1 . 2 ]"
1 62 LEU 2.089 0.171 12 0 "[ . 1 . 2 ]"
1 63 LEU 2.872 0.422 5 0 "[ . 1 . 2 ]"
1 64 LYS 0.146 0.055 8 0 "[ . 1 . 2 ]"
1 65 SER 1.144 0.284 10 0 "[ . 1 . 2 ]"
1 67 HIS 4.233 0.309 17 0 "[ . 1 . 2 ]"
1 68 LEU 2.665 0.422 5 0 "[ . 1 . 2 ]"
1 70 LYS 0.216 0.175 4 0 "[ . 1 . 2 ]"
1 72 LYS 2.475 0.391 9 0 "[ . 1 . 2 ]"
1 74 GLN 2.797 0.368 11 0 "[ . 1 . 2 ]"
1 77 SER 2.797 0.368 11 0 "[ . 1 . 2 ]"
1 79 ILE 2.475 0.391 9 0 "[ . 1 . 2 ]"
1 80 TYR 1.428 0.580 1 1 "[+ . 1 . 2 ]"
1 81 SER 0.216 0.175 4 0 "[ . 1 . 2 ]"
1 86 HIS 0.877 0.124 9 0 "[ . 1 . 2 ]"
1 87 VAL 0.447 0.166 16 0 "[ . 1 . 2 ]"
1 88 ALA 1.515 0.169 13 0 "[ . 1 . 2 ]"
1 89 THR 0.075 0.075 8 0 "[ . 1 . 2 ]"
1 90 MET 1.431 0.181 7 0 "[ . 1 . 2 ]"
1 91 LEU 2.698 0.240 17 0 "[ . 1 . 2 ]"
1 92 LYS 2.652 0.311 6 0 "[ . 1 . 2 ]"
1 93 GLN 1.435 0.199 8 0 "[ . 1 . 2 ]"
1 94 ALA 2.296 0.239 17 0 "[ . 1 . 2 ]"
1 95 ILE 2.251 0.240 17 0 "[ . 1 . 2 ]"
1 96 HIS 1.137 0.311 6 0 "[ . 1 . 2 ]"
1 97 HIS 6.405 0.296 12 0 "[ . 1 . 2 ]"
1 98 ALA 1.742 0.239 17 0 "[ . 1 . 2 ]"
2 10 THR 2.865 0.243 21 0 "[ . 1 . 2 ]"
2 11 ASP 1.512 0.205 10 0 "[ . 1 . 2 ]"
2 12 THR 0.566 0.099 4 0 "[ . 1 . 2 ]"
2 13 LEU 5.230 0.252 18 0 "[ . 1 . 2 ]"
2 14 GLU 8.095 0.252 18 0 "[ . 1 . 2 ]"
2 15 ARG 2.566 0.384 8 0 "[ . 1 . 2 ]"
2 16 VAL 1.201 0.142 3 0 "[ . 1 . 2 ]"
2 17 THR 1.582 0.207 16 0 "[ . 1 . 2 ]"
2 18 GLU 0.691 0.112 14 0 "[ . 1 . 2 ]"
2 19 ILE 1.613 0.384 8 0 "[ . 1 . 2 ]"
2 20 PHE 0.635 0.142 3 0 "[ . 1 . 2 ]"
2 21 LYS 1.582 0.207 16 0 "[ . 1 . 2 ]"
2 22 ALA 0.691 0.112 14 0 "[ . 1 . 2 ]"
2 23 LEU 0.558 0.219 19 0 "[ . 1 . 2 ]"
2 25 ASP 0.066 0.066 5 0 "[ . 1 . 2 ]"
2 26 TYR 1.740 0.265 16 0 "[ . 1 . 2 ]"
2 27 ASN 1.723 0.419 2 0 "[ . 1 . 2 ]"
2 28 ARG 1.267 0.139 2 0 "[ . 1 . 2 ]"
2 29 ILE 0.528 0.190 20 0 "[ . 1 . 2 ]"
2 30 ARG 3.347 0.265 16 0 "[ . 1 . 2 ]"
2 31 ILE 2.166 0.419 2 0 "[ . 1 . 2 ]"
2 32 MET 1.568 0.139 2 0 "[ . 1 . 2 ]"
2 33 GLU 1.369 0.190 20 0 "[ . 1 . 2 ]"
2 34 LEU 2.022 0.207 6 0 "[ . 1 . 2 ]"
2 35 LEU 0.443 0.114 20 0 "[ . 1 . 2 ]"
2 36 SER 0.301 0.110 16 0 "[ . 1 . 2 ]"
2 37 VAL 0.907 0.131 4 0 "[ . 1 . 2 ]"
2 38 SER 0.415 0.170 11 0 "[ . 1 . 2 ]"
2 40 ALA 0.001 0.001 9 0 "[ . 1 . 2 ]"
2 42 VAL 1.336 0.309 18 0 "[ . 1 . 2 ]"
2 43 GLY 1.175 0.267 18 0 "[ . 1 . 2 ]"
2 44 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 45 ILE 1.503 0.309 18 0 "[ . 1 . 2 ]"
2 46 SER 1.175 0.267 18 0 "[ . 1 . 2 ]"
2 47 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 48 GLN 0.167 0.149 1 0 "[ . 1 . 2 ]"
2 53 GLN 0.235 0.123 5 0 "[ . 1 . 2 ]"
2 54 SER 0.461 0.145 21 0 "[ . 1 . 2 ]"
2 55 ASN 0.103 0.097 12 0 "[ . 1 . 2 ]"
2 56 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 57 SER 3.074 0.415 1 0 "[ . 1 . 2 ]"
2 58 HIS 2.104 0.232 8 0 "[ . 1 . 2 ]"
2 59 GLN 0.792 0.240 11 0 "[ . 1 . 2 ]"
2 60 LEU 0.121 0.082 10 0 "[ . 1 . 2 ]"
2 61 LYS 4.340 0.415 1 0 "[ . 1 . 2 ]"
2 62 LEU 1.643 0.232 8 0 "[ . 1 . 2 ]"
2 63 LEU 4.114 0.293 13 0 "[ . 1 . 2 ]"
2 64 LYS 0.121 0.082 10 0 "[ . 1 . 2 ]"
2 65 SER 1.501 0.196 6 0 "[ . 1 . 2 ]"
2 67 HIS 5.045 0.296 12 0 "[ . 1 . 2 ]"
2 68 LEU 3.425 0.293 13 0 "[ . 1 . 2 ]"
2 70 LYS 0.536 0.236 18 0 "[ . 1 . 2 ]"
2 72 LYS 1.334 0.178 17 0 "[ . 1 . 2 ]"
2 74 GLN 3.151 0.381 1 0 "[ . 1 . 2 ]"
2 77 SER 3.151 0.381 1 0 "[ . 1 . 2 ]"
2 79 ILE 1.334 0.178 17 0 "[ . 1 . 2 ]"
2 80 TYR 0.001 0.001 9 0 "[ . 1 . 2 ]"
2 81 SER 0.536 0.236 18 0 "[ . 1 . 2 ]"
2 86 HIS 1.098 0.251 2 0 "[ . 1 . 2 ]"
2 87 VAL 0.423 0.087 11 0 "[ . 1 . 2 ]"
2 88 ALA 1.310 0.187 11 0 "[ . 1 . 2 ]"
2 89 THR 0.066 0.052 3 0 "[ . 1 . 2 ]"
2 90 MET 1.534 0.251 2 0 "[ . 1 . 2 ]"
2 91 LEU 1.949 0.207 11 0 "[ . 1 . 2 ]"
2 92 LYS 3.798 0.335 10 0 "[ . 1 . 2 ]"
2 93 GLN 1.153 0.123 4 0 "[ . 1 . 2 ]"
2 94 ALA 3.287 0.320 17 0 "[ . 1 . 2 ]"
2 95 ILE 1.526 0.207 11 0 "[ . 1 . 2 ]"
2 96 HIS 2.488 0.335 10 0 "[ . 1 . 2 ]"
2 97 HIS 5.319 0.309 17 0 "[ . 1 . 2 ]"
2 98 ALA 2.851 0.320 17 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 THR O 1 14 GLU N 3.000 2.500 3.500 3.462 2.899 3.682 0.182 2 0 "[ . 1 . 2 ]" 2
2 1 10 THR O 1 14 GLU H 2.100 . 2.600 2.645 2.057 2.978 0.378 13 0 "[ . 1 . 2 ]" 2
3 1 11 ASP O 1 15 ARG N 3.000 2.500 3.500 3.286 2.655 3.741 0.241 17 0 "[ . 1 . 2 ]" 2
4 1 11 ASP O 1 15 ARG H 2.100 . 2.600 2.442 1.848 2.957 0.357 8 0 "[ . 1 . 2 ]" 2
5 1 12 THR O 1 16 VAL N 3.000 2.500 3.500 3.060 2.599 3.598 0.098 15 0 "[ . 1 . 2 ]" 2
6 1 12 THR O 1 16 VAL H 2.100 . 2.600 2.170 1.674 2.707 0.107 2 0 "[ . 1 . 2 ]" 2
7 1 13 LEU O 1 14 GLU N 3.000 2.500 4.500 2.250 2.245 2.253 0.255 15 0 "[ . 1 . 2 ]" 2
8 1 13 LEU O 1 14 GLU H 2.100 . 3.600 3.116 3.109 3.120 . 0 0 "[ . 1 . 2 ]" 2
9 1 15 ARG O 1 19 ILE N 3.000 2.500 3.500 3.337 2.887 3.769 0.269 18 0 "[ . 1 . 2 ]" 2
10 1 15 ARG O 1 19 ILE H 2.100 . 2.600 2.525 2.024 3.085 0.485 18 0 "[ . 1 . 2 ]" 2
11 1 16 VAL O 1 20 PHE N 3.000 2.500 4.500 4.121 3.118 4.607 0.107 21 0 "[ . 1 . 2 ]" 2
12 1 16 VAL O 1 20 PHE H 2.100 . 3.600 3.252 2.286 3.723 0.123 21 0 "[ . 1 . 2 ]" 2
13 1 17 THR O 1 21 LYS N 3.000 2.500 3.500 3.423 3.083 3.687 0.187 19 0 "[ . 1 . 2 ]" 2
14 1 17 THR O 1 21 LYS H 2.100 . 2.600 2.515 2.204 2.734 0.134 13 0 "[ . 1 . 2 ]" 2
15 1 18 GLU O 1 22 ALA N 3.000 2.500 3.500 3.168 2.788 3.580 0.080 11 0 "[ . 1 . 2 ]" 2
16 1 18 GLU O 1 22 ALA H 2.100 . 2.600 2.362 1.865 2.764 0.164 11 0 "[ . 1 . 2 ]" 2
17 1 19 ILE O 1 23 LEU N 3.000 2.500 4.500 3.799 3.125 4.471 . 0 0 "[ . 1 . 2 ]" 2
18 1 19 ILE O 1 23 LEU H 2.100 . 3.600 3.201 2.418 3.796 0.196 19 0 "[ . 1 . 2 ]" 2
19 1 25 ASP O 1 29 ILE N 3.000 2.500 4.500 3.539 2.761 4.272 . 0 0 "[ . 1 . 2 ]" 2
20 1 25 ASP O 1 29 ILE H 2.100 . 3.600 2.663 1.846 3.494 . 0 0 "[ . 1 . 2 ]" 2
21 1 26 TYR O 1 30 ARG N 3.000 2.500 3.500 3.473 3.188 3.869 0.369 5 0 "[ . 1 . 2 ]" 2
22 1 26 TYR O 1 30 ARG H 2.100 . 2.600 2.627 2.259 2.970 0.370 5 0 "[ . 1 . 2 ]" 2
23 1 27 ASN O 1 31 ILE N 3.000 2.500 3.500 3.548 3.201 3.816 0.316 11 0 "[ . 1 . 2 ]" 2
24 1 27 ASN O 1 31 ILE H 2.100 . 3.100 2.720 2.312 2.988 . 0 0 "[ . 1 . 2 ]" 2
25 1 28 ARG O 1 32 MET N 3.000 2.500 3.500 3.204 2.724 3.792 0.292 20 0 "[ . 1 . 2 ]" 2
26 1 28 ARG O 1 32 MET H 2.100 . 2.600 2.353 1.822 2.876 0.276 20 0 "[ . 1 . 2 ]" 2
27 1 29 ILE O 1 33 GLU N 3.000 2.500 3.500 3.348 3.129 3.560 0.060 3 0 "[ . 1 . 2 ]" 2
28 1 29 ILE O 1 33 GLU H 2.100 . 2.600 2.494 2.219 2.780 0.180 10 0 "[ . 1 . 2 ]" 2
29 1 30 ARG O 1 34 LEU N 3.000 2.500 3.500 3.487 3.109 3.692 0.192 10 0 "[ . 1 . 2 ]" 2
30 1 30 ARG O 1 34 LEU H 2.100 . 2.600 2.627 2.182 2.841 0.241 10 0 "[ . 1 . 2 ]" 2
31 1 31 ILE O 1 35 LEU N 3.000 2.500 3.500 3.264 3.005 3.523 0.023 18 0 "[ . 1 . 2 ]" 2
32 1 31 ILE O 1 35 LEU H 2.100 . 2.600 2.341 2.091 2.746 0.146 5 0 "[ . 1 . 2 ]" 2
33 1 32 MET O 1 36 SER N 3.000 2.500 3.500 3.139 2.725 3.518 0.018 13 0 "[ . 1 . 2 ]" 2
34 1 32 MET O 1 36 SER H 2.100 . 2.600 2.382 1.810 2.761 0.161 11 0 "[ . 1 . 2 ]" 2
35 1 33 GLU O 1 37 VAL N 3.000 2.500 3.500 3.496 3.150 3.635 0.135 13 0 "[ . 1 . 2 ]" 2
36 1 33 GLU O 1 37 VAL H 2.100 . 2.600 2.590 2.201 2.833 0.233 16 0 "[ . 1 . 2 ]" 2
37 1 34 LEU O 1 38 SER N 3.000 2.500 3.500 3.222 2.927 3.616 0.116 17 0 "[ . 1 . 2 ]" 2
38 1 34 LEU O 1 38 SER H 2.100 . 2.600 2.305 1.996 2.772 0.172 5 0 "[ . 1 . 2 ]" 2
39 1 42 VAL O 1 45 ILE N 3.000 2.500 3.500 3.257 2.863 3.693 0.193 7 0 "[ . 1 . 2 ]" 2
40 1 42 VAL O 1 45 ILE H 2.100 . 2.600 2.521 1.960 2.995 0.395 17 0 "[ . 1 . 2 ]" 2
41 1 43 GLY O 1 46 SER N 3.000 2.500 3.500 3.183 2.603 3.587 0.087 16 0 "[ . 1 . 2 ]" 2
42 1 43 GLY O 1 46 SER H 2.100 . 2.600 2.450 1.833 2.841 0.241 16 0 "[ . 1 . 2 ]" 2
43 1 44 HIS O 1 47 HIS N 3.000 2.500 4.500 3.568 3.251 3.870 . 0 0 "[ . 1 . 2 ]" 2
44 1 44 HIS O 1 47 HIS H 2.100 . 3.600 2.766 2.342 3.430 . 0 0 "[ . 1 . 2 ]" 2
45 1 45 ILE O 1 48 GLN N 3.000 2.500 4.500 2.776 2.419 4.162 0.081 13 0 "[ . 1 . 2 ]" 2
46 1 45 ILE O 1 48 GLN H 2.100 . 3.600 1.960 1.674 3.267 . 0 0 "[ . 1 . 2 ]" 2
47 1 53 GLN O 1 57 SER N 3.000 2.500 3.500 3.078 2.589 3.388 . 0 0 "[ . 1 . 2 ]" 2
48 1 53 GLN O 1 57 SER H 2.100 . 2.600 2.160 1.672 2.551 . 0 0 "[ . 1 . 2 ]" 2
49 1 54 SER O 1 58 HIS N 3.000 2.500 3.500 3.309 2.966 3.644 0.144 13 0 "[ . 1 . 2 ]" 2
50 1 54 SER O 1 58 HIS H 2.100 . 2.600 2.413 2.061 2.710 0.110 4 0 "[ . 1 . 2 ]" 2
51 1 55 ASN O 1 59 GLN N 3.000 2.500 3.500 3.287 2.887 3.637 0.137 12 0 "[ . 1 . 2 ]" 2
52 1 55 ASN O 1 59 GLN H 2.100 . 2.600 2.391 1.952 2.756 0.156 12 0 "[ . 1 . 2 ]" 2
53 1 56 VAL O 1 60 LEU N 3.000 2.500 3.500 2.957 2.632 3.597 0.097 12 0 "[ . 1 . 2 ]" 2
54 1 56 VAL O 1 60 LEU H 2.100 . 2.600 2.035 1.671 2.648 0.048 12 0 "[ . 1 . 2 ]" 2
55 1 57 SER O 1 61 LYS N 3.000 2.500 3.500 3.380 2.686 3.710 0.210 7 0 "[ . 1 . 2 ]" 2
56 1 57 SER O 1 61 LYS H 2.100 . 2.600 2.602 1.840 2.888 0.288 7 0 "[ . 1 . 2 ]" 2
57 1 58 HIS O 1 62 LEU N 3.000 2.500 3.500 3.471 3.180 3.615 0.115 12 0 "[ . 1 . 2 ]" 2
58 1 58 HIS O 1 62 LEU H 2.100 . 2.600 2.635 2.314 2.771 0.171 12 0 "[ . 1 . 2 ]" 2
59 1 59 GLN O 1 63 LEU N 3.000 2.500 3.500 3.354 3.118 3.651 0.151 17 0 "[ . 1 . 2 ]" 2
60 1 59 GLN O 1 63 LEU H 2.100 . 2.900 2.447 2.177 2.842 . 0 0 "[ . 1 . 2 ]" 2
61 1 60 LEU O 1 64 LYS N 3.000 2.500 3.500 3.220 2.868 3.555 0.055 8 0 "[ . 1 . 2 ]" 2
62 1 60 LEU O 1 64 LYS H 2.100 . 2.900 2.423 1.950 2.864 . 0 0 "[ . 1 . 2 ]" 2
63 1 61 LYS O 1 65 SER N 3.000 2.500 3.500 3.476 3.145 3.784 0.284 10 0 "[ . 1 . 2 ]" 2
64 1 61 LYS O 1 65 SER H 2.100 . 2.900 2.734 2.401 2.973 0.073 10 0 "[ . 1 . 2 ]" 2
65 1 86 HIS O 1 90 MET N 3.000 2.500 3.500 3.370 2.942 3.603 0.103 11 0 "[ . 1 . 2 ]" 2
66 1 86 HIS O 1 90 MET H 2.100 . 2.600 2.458 1.983 2.724 0.124 9 0 "[ . 1 . 2 ]" 2
67 1 87 VAL O 1 91 LEU N 3.000 2.500 3.500 3.298 2.873 3.609 0.109 16 0 "[ . 1 . 2 ]" 2
68 1 87 VAL O 1 91 LEU H 2.100 . 2.600 2.398 1.920 2.766 0.166 16 0 "[ . 1 . 2 ]" 2
69 1 88 ALA O 1 92 LYS N 3.000 2.500 3.500 3.407 2.663 3.669 0.169 13 0 "[ . 1 . 2 ]" 2
70 1 88 ALA O 1 92 LYS H 2.100 . 2.600 2.467 1.704 2.735 0.135 19 0 "[ . 1 . 2 ]" 2
71 1 89 THR O 1 93 GLN N 3.000 2.500 3.500 2.801 2.425 3.092 0.075 8 0 "[ . 1 . 2 ]" 2
72 1 89 THR O 1 93 GLN H 2.100 . 2.600 1.945 1.683 2.351 . 0 0 "[ . 1 . 2 ]" 2
73 1 90 MET O 1 94 ALA N 3.000 2.500 3.500 3.261 2.967 3.424 . 0 0 "[ . 1 . 2 ]" 2
74 1 90 MET O 1 94 ALA H 2.100 . 2.600 2.522 2.197 2.781 0.181 7 0 "[ . 1 . 2 ]" 2
75 1 91 LEU O 1 95 ILE N 3.000 2.500 3.500 3.523 3.160 3.716 0.216 17 0 "[ . 1 . 2 ]" 2
76 1 91 LEU O 1 95 ILE H 2.100 . 2.600 2.580 2.207 2.840 0.240 17 0 "[ . 1 . 2 ]" 2
77 1 92 LYS O 1 96 HIS N 3.000 2.500 3.500 3.154 2.730 3.592 0.092 6 0 "[ . 1 . 2 ]" 2
78 1 92 LYS O 1 96 HIS H 2.100 . 2.600 2.372 1.795 2.911 0.311 6 0 "[ . 1 . 2 ]" 2
79 1 93 GLN O 1 97 HIS N 3.000 2.500 3.500 3.404 3.114 3.686 0.186 5 0 "[ . 1 . 2 ]" 2
80 1 93 GLN O 1 97 HIS H 2.100 . 2.600 2.505 2.202 2.799 0.199 8 0 "[ . 1 . 2 ]" 2
81 1 94 ALA O 1 98 ALA N 3.000 2.500 3.500 3.387 2.991 3.739 0.239 17 0 "[ . 1 . 2 ]" 2
82 1 94 ALA O 1 98 ALA H 2.100 . 2.600 2.557 2.046 2.827 0.227 17 0 "[ . 1 . 2 ]" 2
83 1 70 LYS N 1 81 SER O 3.000 2.300 4.500 4.044 3.371 4.518 0.018 4 0 "[ . 1 . 2 ]" 2
84 1 70 LYS H 1 81 SER O 2.000 . 3.500 3.126 2.427 3.675 0.175 4 0 "[ . 1 . 2 ]" 2
85 1 72 LYS N 1 79 ILE O 3.000 2.300 3.500 3.420 3.007 3.767 0.267 16 0 "[ . 1 . 2 ]" 2
86 1 72 LYS H 1 79 ILE O 2.000 . 2.500 2.505 2.038 2.891 0.391 9 0 "[ . 1 . 2 ]" 2
87 1 74 GLN N 1 77 SER O 3.000 2.300 3.500 3.298 2.692 3.645 0.145 8 0 "[ . 1 . 2 ]" 2
88 1 74 GLN H 1 77 SER O 2.000 . 2.500 2.463 1.795 2.868 0.368 11 0 "[ . 1 . 2 ]" 2
89 1 40 ALA N 1 80 TYR O 3.000 2.300 4.500 4.185 3.774 4.900 0.400 1 0 "[ . 1 . 2 ]" 2
90 1 40 ALA H 1 80 TYR O 2.000 . 3.500 3.317 2.942 4.080 0.580 1 1 "[+ . 1 . 2 ]" 2
91 1 67 HIS O 2 97 HIS NE2 3.000 2.300 3.500 3.517 2.763 3.753 0.253 17 0 "[ . 1 . 2 ]" 2
92 1 67 HIS O 2 97 HIS HE2 2.000 . 2.500 2.576 1.787 2.809 0.309 17 0 "[ . 1 . 2 ]" 2
93 1 63 LEU O 1 68 LEU N 3.000 2.300 3.500 3.357 2.954 3.662 0.162 10 0 "[ . 1 . 2 ]" 2
94 1 63 LEU O 1 68 LEU H 2.000 . 2.500 2.581 2.108 2.922 0.422 5 0 "[ . 1 . 2 ]" 2
95 2 10 THR O 2 14 GLU N 3.000 2.500 3.500 3.439 2.916 3.633 0.133 18 0 "[ . 1 . 2 ]" 2
96 2 10 THR O 2 14 GLU H 2.100 . 2.600 2.624 2.050 2.843 0.243 21 0 "[ . 1 . 2 ]" 2
97 2 11 ASP O 2 15 ARG N 3.000 2.500 3.500 3.393 2.931 3.705 0.205 10 0 "[ . 1 . 2 ]" 2
98 2 11 ASP O 2 15 ARG H 2.100 . 2.600 2.534 1.997 2.805 0.205 18 0 "[ . 1 . 2 ]" 2
99 2 12 THR O 2 16 VAL N 3.000 2.500 3.500 3.126 2.661 3.596 0.096 18 0 "[ . 1 . 2 ]" 2
100 2 12 THR O 2 16 VAL H 2.100 . 2.600 2.205 1.684 2.699 0.099 4 0 "[ . 1 . 2 ]" 2
101 2 13 LEU O 2 14 GLU N 3.000 2.500 4.500 2.251 2.248 2.254 0.252 18 0 "[ . 1 . 2 ]" 2
102 2 13 LEU O 2 14 GLU H 2.100 . 3.600 3.117 3.112 3.120 . 0 0 "[ . 1 . 2 ]" 2
103 2 15 ARG O 2 19 ILE N 3.000 2.500 3.500 3.296 3.044 3.620 0.120 8 0 "[ . 1 . 2 ]" 2
104 2 15 ARG O 2 19 ILE H 2.100 . 2.600 2.507 2.096 2.984 0.384 8 0 "[ . 1 . 2 ]" 2
105 2 16 VAL O 2 20 PHE N 3.000 2.500 4.500 4.107 3.358 4.592 0.092 9 0 "[ . 1 . 2 ]" 2
106 2 16 VAL O 2 20 PHE H 2.100 . 3.600 3.237 2.547 3.742 0.142 3 0 "[ . 1 . 2 ]" 2
107 2 17 THR O 2 21 LYS N 3.000 2.500 3.500 3.462 2.738 3.698 0.198 16 0 "[ . 1 . 2 ]" 2
108 2 17 THR O 2 21 LYS H 2.100 . 2.600 2.532 1.792 2.807 0.207 16 0 "[ . 1 . 2 ]" 2
109 2 18 GLU O 2 22 ALA N 3.000 2.500 3.500 3.250 2.824 3.493 . 0 0 "[ . 1 . 2 ]" 2
110 2 18 GLU O 2 22 ALA H 2.100 . 2.600 2.492 1.916 2.712 0.112 14 0 "[ . 1 . 2 ]" 2
111 2 19 ILE O 2 23 LEU N 3.000 2.500 4.500 3.942 3.378 4.419 . 0 0 "[ . 1 . 2 ]" 2
112 2 19 ILE O 2 23 LEU H 2.100 . 3.600 3.363 2.627 3.819 0.219 19 0 "[ . 1 . 2 ]" 2
113 2 25 ASP O 2 29 ILE N 3.000 2.500 4.500 3.662 2.803 4.262 . 0 0 "[ . 1 . 2 ]" 2
114 2 25 ASP O 2 29 ILE H 2.100 . 3.600 2.801 1.830 3.666 0.066 5 0 "[ . 1 . 2 ]" 2
115 2 26 TYR O 2 30 ARG N 3.000 2.500 3.500 3.412 3.119 3.704 0.204 16 0 "[ . 1 . 2 ]" 2
116 2 26 TYR O 2 30 ARG H 2.100 . 2.600 2.578 2.257 2.865 0.265 16 0 "[ . 1 . 2 ]" 2
117 2 27 ASN O 2 31 ILE N 3.000 2.500 3.500 3.536 3.147 3.919 0.419 2 0 "[ . 1 . 2 ]" 2
118 2 27 ASN O 2 31 ILE H 2.100 . 3.100 2.689 2.223 3.205 0.105 2 0 "[ . 1 . 2 ]" 2
119 2 28 ARG O 2 32 MET N 3.000 2.500 3.500 3.332 2.895 3.622 0.122 13 0 "[ . 1 . 2 ]" 2
120 2 28 ARG O 2 32 MET H 2.100 . 2.600 2.438 1.951 2.739 0.139 2 0 "[ . 1 . 2 ]" 2
121 2 29 ILE O 2 33 GLU N 3.000 2.500 3.500 3.316 3.070 3.562 0.062 20 0 "[ . 1 . 2 ]" 2
122 2 29 ILE O 2 33 GLU H 2.100 . 2.600 2.451 2.161 2.790 0.190 20 0 "[ . 1 . 2 ]" 2
123 2 30 ARG O 2 34 LEU N 3.000 2.500 3.500 3.408 3.050 3.632 0.132 20 0 "[ . 1 . 2 ]" 2
124 2 30 ARG O 2 34 LEU H 2.100 . 2.600 2.544 2.098 2.807 0.207 6 0 "[ . 1 . 2 ]" 2
125 2 31 ILE O 2 35 LEU N 3.000 2.500 3.500 3.252 2.683 3.614 0.114 20 0 "[ . 1 . 2 ]" 2
126 2 31 ILE O 2 35 LEU H 2.100 . 2.600 2.329 1.718 2.665 0.065 3 0 "[ . 1 . 2 ]" 2
127 2 32 MET O 2 36 SER N 3.000 2.500 3.500 3.118 2.734 3.463 . 0 0 "[ . 1 . 2 ]" 2
128 2 32 MET O 2 36 SER H 2.100 . 2.600 2.381 1.828 2.710 0.110 16 0 "[ . 1 . 2 ]" 2
129 2 33 GLU O 2 37 VAL N 3.000 2.500 3.500 3.433 3.114 3.592 0.092 16 0 "[ . 1 . 2 ]" 2
130 2 33 GLU O 2 37 VAL H 2.100 . 2.600 2.531 2.185 2.731 0.131 4 0 "[ . 1 . 2 ]" 2
131 2 34 LEU O 2 38 SER N 3.000 2.500 3.500 3.169 2.627 3.670 0.170 11 0 "[ . 1 . 2 ]" 2
132 2 34 LEU O 2 38 SER H 2.100 . 2.600 2.243 1.705 2.741 0.141 7 0 "[ . 1 . 2 ]" 2
133 2 42 VAL O 2 45 ILE N 3.000 2.500 3.500 3.214 2.630 3.588 0.088 5 0 "[ . 1 . 2 ]" 2
134 2 42 VAL O 2 45 ILE H 2.100 . 2.600 2.446 1.681 2.909 0.309 18 0 "[ . 1 . 2 ]" 2
135 2 43 GLY O 2 46 SER N 3.000 2.500 3.500 3.102 2.537 3.634 0.134 18 0 "[ . 1 . 2 ]" 2
136 2 43 GLY O 2 46 SER H 2.100 . 2.600 2.290 1.674 2.867 0.267 18 0 "[ . 1 . 2 ]" 2
137 2 44 HIS O 2 47 HIS N 3.000 2.500 4.500 3.549 2.985 4.042 . 0 0 "[ . 1 . 2 ]" 2
138 2 44 HIS O 2 47 HIS H 2.100 . 3.600 2.770 2.152 3.473 . 0 0 "[ . 1 . 2 ]" 2
139 2 45 ILE O 2 48 GLN N 3.000 2.500 4.500 2.759 2.351 3.317 0.149 1 0 "[ . 1 . 2 ]" 2
140 2 45 ILE O 2 48 GLN H 2.100 . 3.600 1.913 1.515 2.629 . 0 0 "[ . 1 . 2 ]" 2
141 2 53 GLN O 2 57 SER N 3.000 2.500 3.500 3.074 2.560 3.613 0.113 5 0 "[ . 1 . 2 ]" 2
142 2 53 GLN O 2 57 SER H 2.100 . 2.600 2.156 1.663 2.723 0.123 5 0 "[ . 1 . 2 ]" 2
143 2 54 SER O 2 58 HIS N 3.000 2.500 3.500 3.270 3.004 3.530 0.030 21 0 "[ . 1 . 2 ]" 2
144 2 54 SER O 2 58 HIS H 2.100 . 2.600 2.424 2.046 2.745 0.145 21 0 "[ . 1 . 2 ]" 2
145 2 55 ASN O 2 59 GLN N 3.000 2.500 3.500 3.230 2.814 3.506 0.006 12 0 "[ . 1 . 2 ]" 2
146 2 55 ASN O 2 59 GLN H 2.100 . 2.600 2.310 1.913 2.697 0.097 12 0 "[ . 1 . 2 ]" 2
147 2 56 VAL O 2 60 LEU N 3.000 2.500 3.500 2.859 2.591 3.173 . 0 0 "[ . 1 . 2 ]" 2
148 2 56 VAL O 2 60 LEU H 2.100 . 2.600 1.937 1.681 2.242 . 0 0 "[ . 1 . 2 ]" 2
149 2 57 SER O 2 61 LYS N 3.000 2.500 3.500 3.443 3.008 3.613 0.113 6 0 "[ . 1 . 2 ]" 2
150 2 57 SER O 2 61 LYS H 2.100 . 2.600 2.664 2.129 3.015 0.415 1 0 "[ . 1 . 2 ]" 2
151 2 58 HIS O 2 62 LEU N 3.000 2.500 3.500 3.421 3.062 3.603 0.103 1 0 "[ . 1 . 2 ]" 2
152 2 58 HIS O 2 62 LEU H 2.100 . 2.600 2.594 2.129 2.832 0.232 8 0 "[ . 1 . 2 ]" 2
153 2 59 GLN O 2 63 LEU N 3.000 2.500 3.500 3.366 3.041 3.740 0.240 11 0 "[ . 1 . 2 ]" 2
154 2 59 GLN O 2 63 LEU H 2.100 . 2.900 2.465 2.118 2.826 . 0 0 "[ . 1 . 2 ]" 2
155 2 60 LEU O 2 64 LYS N 3.000 2.500 3.500 3.265 2.829 3.582 0.082 10 0 "[ . 1 . 2 ]" 2
156 2 60 LEU O 2 64 LYS H 2.100 . 2.900 2.473 1.902 2.920 0.020 10 0 "[ . 1 . 2 ]" 2
157 2 61 LYS O 2 65 SER N 3.000 2.500 3.500 3.457 2.955 3.696 0.196 6 0 "[ . 1 . 2 ]" 2
158 2 61 LYS O 2 65 SER H 2.100 . 2.900 2.726 2.363 3.022 0.122 17 0 "[ . 1 . 2 ]" 2
159 2 86 HIS O 2 90 MET N 3.000 2.500 3.500 3.346 2.940 3.751 0.251 2 0 "[ . 1 . 2 ]" 2
160 2 86 HIS O 2 90 MET H 2.100 . 2.600 2.445 2.005 2.824 0.224 2 0 "[ . 1 . 2 ]" 2
161 2 87 VAL O 2 91 LEU N 3.000 2.500 3.500 3.290 2.930 3.587 0.087 11 0 "[ . 1 . 2 ]" 2
162 2 87 VAL O 2 91 LEU H 2.100 . 2.600 2.389 1.999 2.685 0.085 16 0 "[ . 1 . 2 ]" 2
163 2 88 ALA O 2 92 LYS N 3.000 2.500 3.500 3.419 3.080 3.687 0.187 11 0 "[ . 1 . 2 ]" 2
164 2 88 ALA O 2 92 LYS H 2.100 . 2.600 2.484 2.164 2.716 0.116 6 0 "[ . 1 . 2 ]" 2
165 2 89 THR O 2 93 GLN N 3.000 2.500 3.500 2.852 2.492 3.507 0.008 12 0 "[ . 1 . 2 ]" 2
166 2 89 THR O 2 93 GLN H 2.100 . 2.600 2.021 1.681 2.652 0.052 3 0 "[ . 1 . 2 ]" 2
167 2 90 MET O 2 94 ALA N 3.000 2.500 3.500 3.201 2.924 3.461 . 0 0 "[ . 1 . 2 ]" 2
168 2 90 MET O 2 94 ALA H 2.100 . 2.600 2.432 2.022 2.811 0.211 4 0 "[ . 1 . 2 ]" 2
169 2 91 LEU O 2 95 ILE N 3.000 2.500 3.500 3.499 3.279 3.707 0.207 11 0 "[ . 1 . 2 ]" 2
170 2 91 LEU O 2 95 ILE H 2.100 . 2.600 2.551 2.303 2.800 0.200 11 0 "[ . 1 . 2 ]" 2
171 2 92 LYS O 2 96 HIS N 3.000 2.500 3.500 3.140 2.727 3.682 0.182 13 0 "[ . 1 . 2 ]" 2
172 2 92 LYS O 2 96 HIS H 2.100 . 2.600 2.363 1.851 2.935 0.335 10 0 "[ . 1 . 2 ]" 2
173 2 93 GLN O 2 97 HIS N 3.000 2.500 3.500 3.379 2.897 3.623 0.123 4 0 "[ . 1 . 2 ]" 2
174 2 93 GLN O 2 97 HIS H 2.100 . 2.600 2.536 2.006 2.718 0.118 17 0 "[ . 1 . 2 ]" 2
175 2 94 ALA O 2 98 ALA N 3.000 2.500 3.500 3.408 3.076 3.783 0.283 17 0 "[ . 1 . 2 ]" 2
176 2 94 ALA O 2 98 ALA H 2.100 . 2.600 2.588 2.131 2.920 0.320 17 0 "[ . 1 . 2 ]" 2
177 2 70 LYS N 2 81 SER O 3.000 2.300 4.500 3.872 2.753 4.695 0.195 18 0 "[ . 1 . 2 ]" 2
178 2 70 LYS H 2 81 SER O 2.000 . 3.500 2.932 1.838 3.736 0.236 18 0 "[ . 1 . 2 ]" 2
179 2 72 LYS N 2 79 ILE O 3.000 2.300 3.500 3.350 2.982 3.580 0.080 20 0 "[ . 1 . 2 ]" 2
180 2 72 LYS H 2 79 ILE O 2.000 . 2.500 2.443 2.095 2.678 0.178 17 0 "[ . 1 . 2 ]" 2
181 2 74 GLN N 2 77 SER O 3.000 2.300 3.500 3.395 3.010 3.630 0.130 8 0 "[ . 1 . 2 ]" 2
182 2 74 GLN H 2 77 SER O 2.000 . 2.500 2.594 2.223 2.881 0.381 1 0 "[ . 1 . 2 ]" 2
183 2 40 ALA N 2 80 TYR O 3.000 2.300 4.500 4.106 3.860 4.355 . 0 0 "[ . 1 . 2 ]" 2
184 2 40 ALA H 2 80 TYR O 2.000 . 3.500 3.247 2.922 3.501 0.001 9 0 "[ . 1 . 2 ]" 2
185 1 97 HIS NE2 2 67 HIS O 3.000 2.300 3.500 3.564 3.249 3.750 0.250 12 0 "[ . 1 . 2 ]" 2
186 1 97 HIS HE2 2 67 HIS O 2.000 . 2.500 2.641 2.348 2.796 0.296 12 0 "[ . 1 . 2 ]" 2
187 2 63 LEU O 2 68 LEU N 3.000 2.300 3.500 3.423 3.169 3.700 0.200 6 0 "[ . 1 . 2 ]" 2
188 2 63 LEU O 2 68 LEU H 2.000 . 2.500 2.639 2.394 2.793 0.293 13 0 "[ . 1 . 2 ]" 2
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