NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393591 |
1qlk   |
4702 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qlk
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 1888
_Distance_constraint_stats_list.Viol_count 2358
_Distance_constraint_stats_list.Viol_total 3983.038
_Distance_constraint_stats_list.Viol_max 0.471
_Distance_constraint_stats_list.Viol_rms 0.0273
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0845
_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 2 SER 0.965 0.225 16 0 "[ . 1 . 2]"
1 3 GLU 0.199 0.199 7 0 "[ . 1 . 2]"
1 4 LEU 2.373 0.299 15 0 "[ . 1 . 2]"
1 5 GLU 1.390 0.085 12 0 "[ . 1 . 2]"
1 6 LYS 3.022 0.189 18 0 "[ . 1 . 2]"
1 7 ALA 2.089 0.364 14 0 "[ . 1 . 2]"
1 8 MET 1.978 0.173 18 0 "[ . 1 . 2]"
1 9 VAL 2.031 0.357 18 0 "[ . 1 . 2]"
1 10 ALA 2.844 0.362 14 0 "[ . 1 . 2]"
1 11 LEU 3.830 0.268 9 0 "[ . 1 . 2]"
1 12 ILE 1.188 0.261 11 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.695 0.148 7 0 "[ . 1 . 2]"
1 15 PHE 3.288 0.305 10 0 "[ . 1 . 2]"
1 16 HIS 0.026 0.021 3 0 "[ . 1 . 2]"
1 17 GLN 1.866 0.136 8 0 "[ . 1 . 2]"
1 18 TYR 3.091 0.344 13 0 "[ . 1 . 2]"
1 19 SER 0.216 0.129 15 0 "[ . 1 . 2]"
1 20 GLY 1.173 0.259 8 0 "[ . 1 . 2]"
1 21 ARG 1.119 0.344 13 0 "[ . 1 . 2]"
1 22 GLU 1.817 0.336 3 0 "[ . 1 . 2]"
1 25 LYS 0.682 0.259 8 0 "[ . 1 . 2]"
1 26 HIS 3.653 0.395 3 0 "[ . 1 . 2]"
1 27 LYS 1.203 0.380 4 0 "[ . 1 . 2]"
1 28 LEU 1.219 0.173 15 0 "[ . 1 . 2]"
1 29 LYS 3.421 0.464 5 0 "[ . 1 . 2]"
1 30 LYS 1.010 0.178 19 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.022 0.022 12 0 "[ . 1 . 2]"
1 33 LEU 2.660 0.333 15 0 "[ . 1 . 2]"
1 34 LYS 6.156 0.424 2 0 "[ . 1 . 2]"
1 35 GLU 1.516 0.150 16 0 "[ . 1 . 2]"
1 36 LEU 2.368 0.229 5 0 "[ . 1 . 2]"
1 37 ILE 2.977 0.354 15 0 "[ . 1 . 2]"
1 38 ASN 1.110 0.311 2 0 "[ . 1 . 2]"
1 39 ASN 1.038 0.311 2 0 "[ . 1 . 2]"
1 40 GLU 1.018 0.246 8 0 "[ . 1 . 2]"
1 41 LEU 1.912 0.340 13 0 "[ . 1 . 2]"
1 42 SER 0.915 0.246 8 0 "[ . 1 . 2]"
1 43 HIS 0.486 0.240 12 0 "[ . 1 . 2]"
1 44 PHE 1.884 0.294 7 0 "[ . 1 . 2]"
1 45 LEU 2.001 0.354 15 0 "[ . 1 . 2]"
1 46 GLU 2.616 0.396 11 0 "[ . 1 . 2]"
1 47 GLU 0.714 0.092 13 0 "[ . 1 . 2]"
1 48 ILE 2.414 0.323 7 0 "[ . 1 . 2]"
1 49 LYS 0.256 0.144 3 0 "[ . 1 . 2]"
1 50 GLU 0.967 0.211 14 0 "[ . 1 . 2]"
1 51 GLN 1.482 0.162 17 0 "[ . 1 . 2]"
1 52 GLU 2.014 0.162 17 0 "[ . 1 . 2]"
1 53 VAL 2.042 0.211 14 0 "[ . 1 . 2]"
1 54 VAL 6.329 0.424 2 0 "[ . 1 . 2]"
1 55 ASP 2.791 0.115 9 0 "[ . 1 . 2]"
1 56 LYS 2.653 0.121 9 0 "[ . 1 . 2]"
1 57 VAL 3.923 0.333 15 0 "[ . 1 . 2]"
1 58 MET 4.882 0.187 3 0 "[ . 1 . 2]"
1 59 GLU 2.748 0.272 6 0 "[ . 1 . 2]"
1 60 THR 3.086 0.373 6 0 "[ . 1 . 2]"
1 61 LEU 2.967 0.259 1 0 "[ . 1 . 2]"
1 62 ASP 2.194 0.373 6 0 "[ . 1 . 2]"
1 63 GLU 1.320 0.090 17 0 "[ . 1 . 2]"
1 64 ASP 2.038 0.090 17 0 "[ . 1 . 2]"
1 65 GLY 0.781 0.177 9 0 "[ . 1 . 2]"
1 66 ASP 1.105 0.177 9 0 "[ . 1 . 2]"
1 67 GLY 0.899 0.294 6 0 "[ . 1 . 2]"
1 68 GLU 6.380 0.464 5 0 "[ . 1 . 2]"
1 69 CYS 1.961 0.402 12 0 "[ . 1 . 2]"
1 70 ASP 1.323 0.262 6 0 "[ . 1 . 2]"
1 71 PHE 3.509 0.305 10 0 "[ . 1 . 2]"
1 72 GLN 3.317 0.457 12 0 "[ . 1 . 2]"
1 73 GLU 2.688 0.457 12 0 "[ . 1 . 2]"
1 74 PHE 3.062 0.266 15 0 "[ . 1 . 2]"
1 75 MET 4.295 0.316 10 0 "[ . 1 . 2]"
1 76 ALA 1.473 0.082 6 0 "[ . 1 . 2]"
1 77 PHE 2.065 0.358 3 0 "[ . 1 . 2]"
1 78 VAL 4.244 0.358 3 0 "[ . 1 . 2]"
1 79 SER 2.467 0.185 1 0 "[ . 1 . 2]"
1 80 MET 2.972 0.146 20 0 "[ . 1 . 2]"
1 81 VAL 3.246 0.294 7 0 "[ . 1 . 2]"
1 82 THR 1.579 0.170 20 0 "[ . 1 . 2]"
1 83 THR 3.538 0.216 11 0 "[ . 1 . 2]"
1 84 ALA 1.054 0.192 3 0 "[ . 1 . 2]"
1 85 CYS 0.463 0.192 3 0 "[ . 1 . 2]"
1 86 HIS 0.116 0.094 8 0 "[ . 1 . 2]"
1 87 GLU 1.650 0.339 12 0 "[ . 1 . 2]"
1 88 PHE 2.849 0.339 12 0 "[ . 1 . 2]"
1 89 PHE 1.520 0.289 16 0 "[ . 1 . 2]"
1 90 GLU 0.802 0.466 10 0 "[ . 1 . 2]"
1 91 HIS 1.676 0.398 4 0 "[ . 1 . 2]"
1 92 GLU 2.169 0.398 4 0 "[ . 1 . 2]"
2 2 SER 0.791 0.202 16 0 "[ . 1 . 2]"
2 3 GLU 0.250 0.250 7 0 "[ . 1 . 2]"
2 4 LEU 2.285 0.266 15 0 "[ . 1 . 2]"
2 5 GLU 1.398 0.087 12 0 "[ . 1 . 2]"
2 6 LYS 3.120 0.175 14 0 "[ . 1 . 2]"
2 7 ALA 2.149 0.362 14 0 "[ . 1 . 2]"
2 8 MET 2.086 0.189 7 0 "[ . 1 . 2]"
2 9 VAL 2.089 0.289 16 0 "[ . 1 . 2]"
2 10 ALA 2.801 0.364 14 0 "[ . 1 . 2]"
2 11 LEU 3.879 0.268 9 0 "[ . 1 . 2]"
2 12 ILE 1.096 0.258 11 0 "[ . 1 . 2]"
2 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 VAL 0.593 0.140 1 0 "[ . 1 . 2]"
2 15 PHE 3.240 0.300 10 0 "[ . 1 . 2]"
2 16 HIS 0.044 0.035 3 0 "[ . 1 . 2]"
2 17 GLN 1.893 0.132 8 0 "[ . 1 . 2]"
2 18 TYR 3.196 0.340 13 0 "[ . 1 . 2]"
2 19 SER 0.259 0.142 15 0 "[ . 1 . 2]"
2 20 GLY 1.152 0.258 8 0 "[ . 1 . 2]"
2 21 ARG 1.146 0.340 13 0 "[ . 1 . 2]"
2 22 GLU 1.814 0.333 3 0 "[ . 1 . 2]"
2 25 LYS 0.630 0.258 8 0 "[ . 1 . 2]"
2 26 HIS 3.613 0.392 3 0 "[ . 1 . 2]"
2 27 LYS 1.189 0.367 4 0 "[ . 1 . 2]"
2 28 LEU 1.228 0.202 4 0 "[ . 1 . 2]"
2 29 LYS 3.347 0.468 5 0 "[ . 1 . 2]"
2 30 LYS 0.662 0.196 19 0 "[ . 1 . 2]"
2 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 GLU 0.043 0.043 12 0 "[ . 1 . 2]"
2 33 LEU 2.843 0.337 15 0 "[ . 1 . 2]"
2 34 LYS 6.221 0.425 18 0 "[ . 1 . 2]"
2 35 GLU 1.559 0.149 16 0 "[ . 1 . 2]"
2 36 LEU 2.311 0.224 5 0 "[ . 1 . 2]"
2 37 ILE 3.069 0.352 15 0 "[ . 1 . 2]"
2 38 ASN 1.202 0.299 2 0 "[ . 1 . 2]"
2 39 ASN 1.028 0.299 2 0 "[ . 1 . 2]"
2 40 GLU 1.174 0.250 8 0 "[ . 1 . 2]"
2 41 LEU 1.872 0.344 13 0 "[ . 1 . 2]"
2 42 SER 0.944 0.250 8 0 "[ . 1 . 2]"
2 43 HIS 0.496 0.249 12 0 "[ . 1 . 2]"
2 44 PHE 1.827 0.357 18 0 "[ . 1 . 2]"
2 45 LEU 1.974 0.352 15 0 "[ . 1 . 2]"
2 46 GLU 2.618 0.391 11 0 "[ . 1 . 2]"
2 47 GLU 0.718 0.091 13 0 "[ . 1 . 2]"
2 48 ILE 2.432 0.333 7 0 "[ . 1 . 2]"
2 49 LYS 0.330 0.137 3 0 "[ . 1 . 2]"
2 50 GLU 1.047 0.203 14 0 "[ . 1 . 2]"
2 51 GLN 1.417 0.181 17 0 "[ . 1 . 2]"
2 52 GLU 1.984 0.181 17 0 "[ . 1 . 2]"
2 53 VAL 2.062 0.228 13 0 "[ . 1 . 2]"
2 54 VAL 6.050 0.425 18 0 "[ . 1 . 2]"
2 55 ASP 2.827 0.115 9 0 "[ . 1 . 2]"
2 56 LYS 2.685 0.123 9 0 "[ . 1 . 2]"
2 57 VAL 3.788 0.337 15 0 "[ . 1 . 2]"
2 58 MET 4.813 0.196 19 0 "[ . 1 . 2]"
2 59 GLU 2.763 0.286 6 0 "[ . 1 . 2]"
2 60 THR 3.017 0.390 6 0 "[ . 1 . 2]"
2 61 LEU 2.915 0.250 1 0 "[ . 1 . 2]"
2 62 ASP 2.234 0.390 6 0 "[ . 1 . 2]"
2 63 GLU 1.254 0.077 13 0 "[ . 1 . 2]"
2 64 ASP 2.020 0.089 13 0 "[ . 1 . 2]"
2 65 GLY 0.818 0.176 9 0 "[ . 1 . 2]"
2 66 ASP 1.147 0.176 9 0 "[ . 1 . 2]"
2 67 GLY 0.888 0.310 6 0 "[ . 1 . 2]"
2 68 GLU 6.380 0.468 5 0 "[ . 1 . 2]"
2 69 CYS 2.058 0.405 12 0 "[ . 1 . 2]"
2 70 ASP 1.269 0.254 6 0 "[ . 1 . 2]"
2 71 PHE 3.542 0.300 10 0 "[ . 1 . 2]"
2 72 GLN 3.353 0.471 12 0 "[ . 1 . 2]"
2 73 GLU 2.711 0.471 12 0 "[ . 1 . 2]"
2 74 PHE 3.056 0.296 15 0 "[ . 1 . 2]"
2 75 MET 4.248 0.341 10 0 "[ . 1 . 2]"
2 76 ALA 1.476 0.090 17 0 "[ . 1 . 2]"
2 77 PHE 2.125 0.356 3 0 "[ . 1 . 2]"
2 78 VAL 4.233 0.356 3 0 "[ . 1 . 2]"
2 79 SER 2.568 0.185 1 0 "[ . 1 . 2]"
2 80 MET 2.961 0.150 20 0 "[ . 1 . 2]"
2 81 VAL 3.246 0.273 7 0 "[ . 1 . 2]"
2 82 THR 1.548 0.165 20 0 "[ . 1 . 2]"
2 83 THR 3.614 0.187 11 0 "[ . 1 . 2]"
2 84 ALA 1.191 0.187 3 0 "[ . 1 . 2]"
2 85 CYS 0.481 0.187 3 0 "[ . 1 . 2]"
2 86 HIS 0.120 0.099 8 0 "[ . 1 . 2]"
2 87 GLU 1.687 0.339 12 0 "[ . 1 . 2]"
2 88 PHE 2.830 0.339 12 0 "[ . 1 . 2]"
2 89 PHE 1.513 0.280 16 0 "[ . 1 . 2]"
2 90 GLU 0.780 0.465 10 0 "[ . 1 . 2]"
2 91 HIS 1.689 0.394 4 0 "[ . 1 . 2]"
2 92 GLU 2.183 0.394 4 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 3 GLU H 1 3 GLU HA 1.800 . 2.900 2.854 2.836 2.886 . 0 0 "[ . 1 . 2]" 1
2 2 3 GLU H 2 3 GLU HA 1.800 . 2.900 2.855 2.838 2.888 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU H 1 3 GLU QB 1.800 . 2.900 2.370 2.234 2.517 . 0 0 "[ . 1 . 2]" 1
4 2 3 GLU H 2 3 GLU QB 1.800 . 2.900 2.373 2.228 2.529 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER H 1 3 GLU H 1.800 . 5.000 3.922 2.345 4.629 . 0 0 "[ . 1 . 2]" 1
6 2 2 SER H 2 3 GLU H 1.800 . 5.000 3.921 2.325 4.618 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER HA 1 3 GLU H 1.800 . 3.500 2.507 2.173 3.349 . 0 0 "[ . 1 . 2]" 1
8 2 2 SER HA 2 3 GLU H 1.800 . 3.500 2.510 2.169 3.347 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER QB 1 3 GLU H 1.800 . 4.200 3.472 2.236 4.055 . 0 0 "[ . 1 . 2]" 1
10 2 2 SER QB 2 3 GLU H 1.800 . 4.200 3.475 2.221 4.063 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU HA 1 6 LYS QB 1.800 . 3.300 2.742 2.384 3.236 . 0 0 "[ . 1 . 2]" 1
12 2 3 GLU HA 2 6 LYS QB 1.800 . 3.300 2.739 2.377 3.258 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLU HA 1 6 LYS QD 1.800 . 5.000 3.799 2.344 4.882 . 0 0 "[ . 1 . 2]" 1
14 2 3 GLU HA 2 6 LYS QD 1.800 . 5.000 3.799 2.348 4.869 . 0 0 "[ . 1 . 2]" 1
15 1 10 ALA MB 2 3 GLU HA 1.800 . 6.000 5.201 4.213 6.250 0.250 7 0 "[ . 1 . 2]" 1
16 1 3 GLU HA 2 10 ALA MB 1.800 . 6.000 5.194 4.299 6.199 0.199 7 0 "[ . 1 . 2]" 1
17 1 14 VAL QG 2 3 GLU H 1.800 . 6.000 4.558 3.822 5.968 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLU H 2 14 VAL QG 1.800 . 6.000 4.550 3.882 5.914 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU H 1 4 LEU HA 1.800 . 2.900 2.838 2.805 2.853 . 0 0 "[ . 1 . 2]" 1
20 2 4 LEU H 2 4 LEU HA 1.800 . 2.900 2.837 2.812 2.854 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU H 1 4 LEU QB 1.800 . 2.900 2.237 2.095 2.431 . 0 0 "[ . 1 . 2]" 1
22 2 4 LEU H 2 4 LEU QB 1.800 . 2.900 2.235 2.099 2.431 . 0 0 "[ . 1 . 2]" 1
23 1 3 GLU H 1 4 LEU H 1.800 . 2.900 2.690 2.556 2.784 . 0 0 "[ . 1 . 2]" 1
24 2 3 GLU H 2 4 LEU H 1.800 . 2.900 2.689 2.575 2.771 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLU HA 1 4 LEU H 1.800 . 4.200 3.542 3.510 3.576 . 0 0 "[ . 1 . 2]" 1
26 2 3 GLU HA 2 4 LEU H 1.800 . 4.200 3.542 3.508 3.571 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLU QB 1 4 LEU H 1.800 . 3.500 2.694 2.521 3.425 . 0 0 "[ . 1 . 2]" 1
28 2 3 GLU QB 2 4 LEU H 1.800 . 3.500 2.691 2.525 3.419 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLU QB 1 4 LEU HA 1.800 . 5.000 3.965 3.848 4.339 . 0 0 "[ . 1 . 2]" 1
30 2 3 GLU QB 2 4 LEU HA 1.800 . 5.000 3.965 3.861 4.328 . 0 0 "[ . 1 . 2]" 1
31 1 2 SER HA 1 4 LEU H 1.800 . 5.000 3.947 3.440 4.706 . 0 0 "[ . 1 . 2]" 1
32 2 2 SER HA 2 4 LEU H 1.800 . 5.000 3.949 3.479 4.699 . 0 0 "[ . 1 . 2]" 1
33 1 2 SER QB 1 4 LEU H 1.800 . 5.000 3.843 2.645 5.168 0.168 2 0 "[ . 1 . 2]" 1
34 2 2 SER QB 2 4 LEU H 1.800 . 5.000 3.853 2.660 5.159 0.159 2 0 "[ . 1 . 2]" 1
35 1 10 ALA MB 2 4 LEU QD 1.800 . 6.000 4.160 2.879 5.198 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU QD 2 10 ALA MB 1.800 . 6.000 4.156 2.902 5.227 . 0 0 "[ . 1 . 2]" 1
37 1 11 LEU QD 2 4 LEU HA 1.800 . 5.000 3.924 3.151 4.790 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU HA 2 11 LEU QD 1.800 . 5.000 3.923 3.194 4.772 . 0 0 "[ . 1 . 2]" 1
39 1 14 VAL HB 2 4 LEU QD 1.800 . 4.200 3.161 2.390 3.801 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU QD 2 14 VAL HB 1.800 . 4.200 3.152 2.349 3.809 . 0 0 "[ . 1 . 2]" 1
41 1 14 VAL MG1 2 4 LEU H 1.800 . 6.000 4.517 3.728 5.572 . 0 0 "[ . 1 . 2]" 1
42 1 4 LEU H 2 14 VAL MG1 1.800 . 6.000 4.508 3.747 5.598 . 0 0 "[ . 1 . 2]" 1
43 1 14 VAL MG1 2 4 LEU QD 1.800 . 2.700 2.408 1.887 2.848 0.148 7 0 "[ . 1 . 2]" 1
44 1 4 LEU QD 2 14 VAL MG1 1.800 . 2.700 2.396 1.916 2.787 0.087 8 0 "[ . 1 . 2]" 1
45 1 14 VAL MG2 2 4 LEU H 1.800 . 5.000 3.854 2.893 4.987 . 0 0 "[ . 1 . 2]" 1
46 1 4 LEU H 2 14 VAL MG2 1.800 . 5.000 3.846 2.924 4.940 . 0 0 "[ . 1 . 2]" 1
47 1 14 VAL MG2 2 4 LEU HA 1.800 . 5.000 4.151 3.351 4.781 . 0 0 "[ . 1 . 2]" 1
48 1 4 LEU HA 2 14 VAL MG2 1.800 . 5.000 4.137 3.277 4.813 . 0 0 "[ . 1 . 2]" 1
49 1 14 VAL MG2 2 4 LEU QD 1.800 . 4.200 2.945 2.250 3.777 . 0 0 "[ . 1 . 2]" 1
50 1 4 LEU QD 2 14 VAL MG2 1.800 . 4.200 2.932 2.244 3.804 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLU H 1 5 GLU QB 1.800 . 2.900 2.318 2.066 2.552 . 0 0 "[ . 1 . 2]" 1
52 2 5 GLU H 2 5 GLU QB 1.800 . 2.900 2.316 2.064 2.548 . 0 0 "[ . 1 . 2]" 1
53 1 4 LEU H 1 5 GLU H 1.800 . 2.900 2.804 2.712 2.985 0.085 12 0 "[ . 1 . 2]" 1
54 2 4 LEU H 2 5 GLU H 1.800 . 2.900 2.808 2.722 2.987 0.087 12 0 "[ . 1 . 2]" 1
55 1 4 LEU HA 1 5 GLU H 1.800 . 4.200 3.575 3.536 3.609 . 0 0 "[ . 1 . 2]" 1
56 2 4 LEU HA 2 5 GLU H 1.800 . 4.200 3.575 3.536 3.609 . 0 0 "[ . 1 . 2]" 1
57 1 3 GLU H 1 5 GLU H 1.800 . 5.000 4.406 4.183 4.760 . 0 0 "[ . 1 . 2]" 1
58 2 3 GLU H 2 5 GLU H 1.800 . 5.000 4.406 4.177 4.746 . 0 0 "[ . 1 . 2]" 1
59 1 3 GLU HA 1 5 GLU H 1.800 . 5.000 4.434 4.174 4.710 . 0 0 "[ . 1 . 2]" 1
60 2 3 GLU HA 2 5 GLU H 1.800 . 5.000 4.436 4.168 4.743 . 0 0 "[ . 1 . 2]" 1
61 1 5 GLU HA 1 8 MET QB 1.800 . 4.200 3.060 2.696 3.835 . 0 0 "[ . 1 . 2]" 1
62 2 5 GLU HA 2 8 MET QB 1.800 . 4.200 3.060 2.685 3.845 . 0 0 "[ . 1 . 2]" 1
63 1 5 GLU H 1 6 LYS H 1.800 . 2.900 2.741 2.684 2.824 . 0 0 "[ . 1 . 2]" 1
64 2 5 GLU H 2 6 LYS H 1.800 . 2.900 2.741 2.682 2.831 . 0 0 "[ . 1 . 2]" 1
65 1 5 GLU HA 1 6 LYS H 1.800 . 3.500 3.560 3.541 3.581 0.081 13 0 "[ . 1 . 2]" 1
66 2 5 GLU HA 2 6 LYS H 1.800 . 3.500 3.560 3.540 3.582 0.082 16 0 "[ . 1 . 2]" 1
67 1 2 SER HA 1 6 LYS H 1.800 . 6.000 5.386 4.730 5.938 . 0 0 "[ . 1 . 2]" 1
68 2 2 SER HA 2 6 LYS H 1.800 . 6.000 5.385 4.725 5.939 . 0 0 "[ . 1 . 2]" 1
69 1 3 GLU HA 1 6 LYS H 1.800 . 4.200 3.402 3.172 3.611 . 0 0 "[ . 1 . 2]" 1
70 2 3 GLU HA 2 6 LYS H 1.800 . 4.200 3.407 3.166 3.612 . 0 0 "[ . 1 . 2]" 1
71 1 4 LEU H 1 6 LYS H 1.800 . 5.000 4.238 4.063 4.390 . 0 0 "[ . 1 . 2]" 1
72 2 4 LEU H 2 6 LYS H 1.800 . 5.000 4.242 4.067 4.391 . 0 0 "[ . 1 . 2]" 1
73 1 4 LEU HA 1 6 LYS H 1.800 . 5.000 4.452 4.205 4.725 . 0 0 "[ . 1 . 2]" 1
74 2 4 LEU HA 2 6 LYS H 1.800 . 5.000 4.456 4.189 4.732 . 0 0 "[ . 1 . 2]" 1
75 1 6 LYS HA 1 9 VAL HB 1.800 . 3.300 2.822 2.537 3.250 . 0 0 "[ . 1 . 2]" 1
76 2 6 LYS HA 2 9 VAL HB 1.800 . 3.300 2.813 2.539 3.229 . 0 0 "[ . 1 . 2]" 1
77 1 6 LYS HA 1 9 VAL MG1 1.800 . 5.000 4.183 3.886 4.580 . 0 0 "[ . 1 . 2]" 1
78 2 6 LYS HA 2 9 VAL MG1 1.800 . 5.000 4.173 3.887 4.556 . 0 0 "[ . 1 . 2]" 1
79 1 6 LYS HA 1 9 VAL MG2 1.800 . 3.300 3.277 2.915 3.489 0.189 18 0 "[ . 1 . 2]" 1
80 2 6 LYS HA 2 9 VAL MG2 1.800 . 3.300 3.292 3.018 3.475 0.175 14 0 "[ . 1 . 2]" 1
81 1 7 ALA H 1 7 ALA HA 1.800 . 2.900 2.848 2.836 2.886 . 0 0 "[ . 1 . 2]" 1
82 2 7 ALA H 2 7 ALA HA 1.800 . 2.900 2.848 2.834 2.888 . 0 0 "[ . 1 . 2]" 1
83 1 7 ALA H 1 7 ALA MB 1.800 . 2.900 2.232 2.175 2.262 . 0 0 "[ . 1 . 2]" 1
84 2 7 ALA H 2 7 ALA MB 1.800 . 2.900 2.233 2.164 2.260 . 0 0 "[ . 1 . 2]" 1
85 1 6 LYS H 1 7 ALA H 1.800 . 2.900 2.670 2.538 2.802 . 0 0 "[ . 1 . 2]" 1
86 2 6 LYS H 2 7 ALA H 1.800 . 2.900 2.673 2.560 2.806 . 0 0 "[ . 1 . 2]" 1
87 1 6 LYS HA 1 7 ALA H 1.800 . 3.500 3.546 3.491 3.569 0.069 18 0 "[ . 1 . 2]" 1
88 2 6 LYS HA 2 7 ALA H 1.800 . 3.500 3.547 3.506 3.568 0.068 18 0 "[ . 1 . 2]" 1
89 1 3 GLU HA 1 7 ALA H 1.800 . 5.000 4.178 3.850 4.800 . 0 0 "[ . 1 . 2]" 1
90 2 3 GLU HA 2 7 ALA H 1.800 . 5.000 4.176 3.844 4.803 . 0 0 "[ . 1 . 2]" 1
91 1 3 GLU QB 1 7 ALA MB 1.800 . 6.000 4.303 3.802 5.288 . 0 0 "[ . 1 . 2]" 1
92 2 3 GLU QB 2 7 ALA MB 1.800 . 6.000 4.307 3.806 5.269 . 0 0 "[ . 1 . 2]" 1
93 1 4 LEU HA 1 7 ALA H 1.800 . 4.200 3.440 3.058 3.739 . 0 0 "[ . 1 . 2]" 1
94 2 4 LEU HA 2 7 ALA H 1.800 . 4.200 3.441 3.035 3.752 . 0 0 "[ . 1 . 2]" 1
95 1 4 LEU HA 1 7 ALA MB 1.800 . 3.300 2.660 2.240 3.223 . 0 0 "[ . 1 . 2]" 1
96 2 4 LEU HA 2 7 ALA MB 1.800 . 3.300 2.654 2.247 3.229 . 0 0 "[ . 1 . 2]" 1
97 1 5 GLU H 1 7 ALA H 1.800 . 5.000 4.173 3.930 4.393 . 0 0 "[ . 1 . 2]" 1
98 2 5 GLU H 2 7 ALA H 1.800 . 5.000 4.174 3.948 4.400 . 0 0 "[ . 1 . 2]" 1
99 1 5 GLU HA 1 7 ALA H 1.800 . 5.000 4.390 4.088 4.535 . 0 0 "[ . 1 . 2]" 1
100 2 5 GLU HA 2 7 ALA H 1.800 . 5.000 4.395 4.116 4.537 . 0 0 "[ . 1 . 2]" 1
101 1 6 LYS QB 1 7 ALA MB 1.800 . 5.000 3.905 3.808 4.110 . 0 0 "[ . 1 . 2]" 1
102 2 6 LYS QB 2 7 ALA MB 1.800 . 5.000 3.911 3.823 4.154 . 0 0 "[ . 1 . 2]" 1
103 1 7 ALA MB 1 8 MET QG 1.800 . 6.000 4.384 3.038 5.463 . 0 0 "[ . 1 . 2]" 1
104 2 7 ALA MB 2 8 MET QG 1.800 . 6.000 4.395 3.060 5.456 . 0 0 "[ . 1 . 2]" 1
105 1 7 ALA HA 1 10 ALA MB 1.800 . 3.300 2.550 2.231 2.952 . 0 0 "[ . 1 . 2]" 1
106 2 7 ALA HA 2 10 ALA MB 1.800 . 3.300 2.552 2.233 2.902 . 0 0 "[ . 1 . 2]" 1
107 1 7 ALA HA 2 7 ALA MB 1.800 . 4.200 3.079 2.389 3.927 . 0 0 "[ . 1 . 2]" 1
108 1 7 ALA MB 2 7 ALA HA 1.800 . 4.200 3.086 2.493 3.966 . 0 0 "[ . 1 . 2]" 1
109 1 7 ALA MB 2 7 ALA MB 1.800 . 4.200 2.505 1.922 3.357 . 0 0 "[ . 1 . 2]" 1
110 1 10 ALA MB 2 7 ALA MB 1.800 . 3.300 3.084 2.254 3.662 0.362 14 0 "[ . 1 . 2]" 1
111 1 7 ALA MB 2 10 ALA MB 1.800 . 3.300 3.084 2.268 3.664 0.364 14 0 "[ . 1 . 2]" 1
112 1 7 ALA H 1 10 ALA MB 1.800 . 5.000 4.251 4.010 4.483 . 0 0 "[ . 1 . 2]" 1
113 1 10 ALA MB 2 7 ALA H 1.800 . 5.000 4.255 4.021 4.500 . 0 0 "[ . 1 . 2]" 1
114 1 7 ALA H 1 11 LEU QD 1.800 . 6.000 5.136 4.324 6.127 0.127 14 0 "[ . 1 . 2]" 1
115 1 11 LEU QD 2 7 ALA H 1.800 . 6.000 5.136 4.316 6.134 0.134 14 0 "[ . 1 . 2]" 1
116 1 8 MET H 1 8 MET HA 1.800 . 2.900 2.852 2.841 2.877 . 0 0 "[ . 1 . 2]" 1
117 2 8 MET H 2 8 MET HA 1.800 . 2.900 2.853 2.841 2.874 . 0 0 "[ . 1 . 2]" 1
118 1 8 MET H 1 8 MET QB 1.800 . 2.900 2.321 2.166 2.435 . 0 0 "[ . 1 . 2]" 1
119 2 8 MET H 2 8 MET QB 1.800 . 2.900 2.321 2.178 2.437 . 0 0 "[ . 1 . 2]" 1
120 1 7 ALA H 1 8 MET H 1.800 . 2.900 2.761 2.611 2.874 . 0 0 "[ . 1 . 2]" 1
121 2 7 ALA H 2 8 MET H 1.800 . 2.900 2.763 2.604 2.868 . 0 0 "[ . 1 . 2]" 1
122 1 7 ALA HA 1 8 MET H 1.800 . 4.200 3.571 3.536 3.609 . 0 0 "[ . 1 . 2]" 1
123 2 7 ALA HA 2 8 MET H 1.800 . 4.200 3.571 3.549 3.605 . 0 0 "[ . 1 . 2]" 1
124 1 7 ALA MB 1 8 MET H 1.800 . 2.900 2.502 2.311 2.653 . 0 0 "[ . 1 . 2]" 1
125 2 7 ALA MB 2 8 MET H 1.800 . 2.900 2.508 2.318 2.652 . 0 0 "[ . 1 . 2]" 1
126 1 4 LEU HA 1 8 MET H 1.800 . 5.000 4.308 3.671 4.937 . 0 0 "[ . 1 . 2]" 1
127 2 4 LEU HA 2 8 MET H 1.800 . 5.000 4.308 3.679 4.953 . 0 0 "[ . 1 . 2]" 1
128 1 5 GLU HA 1 8 MET H 1.800 . 4.200 3.552 3.228 3.779 . 0 0 "[ . 1 . 2]" 1
129 2 5 GLU HA 2 8 MET H 1.800 . 4.200 3.556 3.251 3.776 . 0 0 "[ . 1 . 2]" 1
130 1 6 LYS H 1 8 MET H 1.800 . 5.000 4.293 4.136 4.520 . 0 0 "[ . 1 . 2]" 1
131 2 6 LYS H 2 8 MET H 1.800 . 5.000 4.294 4.074 4.515 . 0 0 "[ . 1 . 2]" 1
132 1 6 LYS HA 1 8 MET H 1.800 . 5.000 4.443 4.258 4.753 . 0 0 "[ . 1 . 2]" 1
133 2 6 LYS HA 2 8 MET H 1.800 . 5.000 4.446 4.266 4.750 . 0 0 "[ . 1 . 2]" 1
134 1 8 MET HA 1 11 LEU QB 1.800 . 5.000 3.139 2.794 3.830 . 0 0 "[ . 1 . 2]" 1
135 2 8 MET HA 2 11 LEU QB 1.800 . 5.000 3.135 2.787 3.848 . 0 0 "[ . 1 . 2]" 1
136 1 78 VAL HA 2 8 MET ME 1.800 . 5.000 3.933 2.298 5.189 0.189 7 0 "[ . 1 . 2]" 1
137 1 8 MET ME 2 78 VAL HA 1.800 . 5.000 3.915 2.276 5.137 0.137 7 0 "[ . 1 . 2]" 1
138 1 78 VAL MG1 2 8 MET ME 1.800 . 4.200 2.902 2.193 4.086 . 0 0 "[ . 1 . 2]" 1
139 1 8 MET ME 2 78 VAL MG1 1.800 . 4.200 2.899 2.285 4.089 . 0 0 "[ . 1 . 2]" 1
140 1 81 VAL HB 2 8 MET ME 1.800 . 5.000 3.394 2.504 5.015 0.015 9 0 "[ . 1 . 2]" 1
141 1 8 MET ME 2 81 VAL HB 1.800 . 5.000 3.383 2.425 4.995 . 0 0 "[ . 1 . 2]" 1
142 1 81 VAL MG1 2 8 MET ME 1.800 . 3.300 2.665 2.136 3.473 0.173 9 0 "[ . 1 . 2]" 1
143 1 8 MET ME 2 81 VAL MG1 1.800 . 3.300 2.669 2.081 3.464 0.164 9 0 "[ . 1 . 2]" 1
144 1 9 VAL H 1 9 VAL HA 1.800 . 2.900 2.876 2.844 2.891 . 0 0 "[ . 1 . 2]" 1
145 2 9 VAL H 2 9 VAL HA 1.800 . 2.900 2.876 2.843 2.890 . 0 0 "[ . 1 . 2]" 1
146 1 9 VAL H 1 9 VAL HB 1.800 . 2.900 2.418 2.375 2.521 . 0 0 "[ . 1 . 2]" 1
147 2 9 VAL H 2 9 VAL HB 1.800 . 2.900 2.412 2.376 2.505 . 0 0 "[ . 1 . 2]" 1
148 1 9 VAL H 1 9 VAL MG2 1.800 . 2.900 2.264 2.135 2.340 . 0 0 "[ . 1 . 2]" 1
149 2 9 VAL H 2 9 VAL MG2 1.800 . 2.900 2.268 2.174 2.345 . 0 0 "[ . 1 . 2]" 1
150 1 9 VAL HA 1 9 VAL MG1 1.800 . 2.700 2.399 2.320 2.437 . 0 0 "[ . 1 . 2]" 1
151 2 9 VAL HA 2 9 VAL MG1 1.800 . 2.700 2.403 2.319 2.441 . 0 0 "[ . 1 . 2]" 1
152 1 9 VAL HA 1 9 VAL MG2 1.800 . 2.700 2.294 2.240 2.394 . 0 0 "[ . 1 . 2]" 1
153 2 9 VAL HA 2 9 VAL MG2 1.800 . 2.700 2.301 2.252 2.358 . 0 0 "[ . 1 . 2]" 1
154 1 8 MET H 1 9 VAL H 1.800 . 2.900 2.722 2.616 2.777 . 0 0 "[ . 1 . 2]" 1
155 2 8 MET H 2 9 VAL H 1.800 . 2.900 2.721 2.608 2.786 . 0 0 "[ . 1 . 2]" 1
156 1 8 MET HA 1 9 VAL H 1.800 . 4.200 3.556 3.539 3.573 . 0 0 "[ . 1 . 2]" 1
157 2 8 MET HA 2 9 VAL H 1.800 . 4.200 3.556 3.539 3.583 . 0 0 "[ . 1 . 2]" 1
158 1 8 MET QB 1 9 VAL H 1.800 . 4.200 2.515 2.383 2.633 . 0 0 "[ . 1 . 2]" 1
159 2 8 MET QB 2 9 VAL H 1.800 . 4.200 2.519 2.385 2.626 . 0 0 "[ . 1 . 2]" 1
160 1 9 VAL MG1 1 10 ALA MB 1.800 . 5.000 4.025 3.816 4.309 . 0 0 "[ . 1 . 2]" 1
161 2 9 VAL MG1 2 10 ALA MB 1.800 . 5.000 4.016 3.768 4.290 . 0 0 "[ . 1 . 2]" 1
162 1 5 GLU HA 1 9 VAL H 1.800 . 5.000 4.454 3.878 5.074 0.074 15 0 "[ . 1 . 2]" 1
163 2 5 GLU HA 2 9 VAL H 1.800 . 5.000 4.457 3.883 5.078 0.078 15 0 "[ . 1 . 2]" 1
164 1 5 GLU HA 1 9 VAL MG2 1.800 . 5.000 4.313 3.675 4.986 . 0 0 "[ . 1 . 2]" 1
165 2 5 GLU HA 2 9 VAL MG2 1.800 . 5.000 4.324 3.673 4.972 . 0 0 "[ . 1 . 2]" 1
166 1 6 LYS HA 1 9 VAL H 1.800 . 4.200 3.484 3.270 3.677 . 0 0 "[ . 1 . 2]" 1
167 2 6 LYS HA 2 9 VAL H 1.800 . 4.200 3.482 3.267 3.672 . 0 0 "[ . 1 . 2]" 1
168 1 7 ALA H 1 9 VAL H 1.800 . 5.000 4.237 4.069 4.370 . 0 0 "[ . 1 . 2]" 1
169 2 7 ALA H 2 9 VAL H 1.800 . 5.000 4.235 4.064 4.373 . 0 0 "[ . 1 . 2]" 1
170 1 7 ALA HA 1 9 VAL H 1.800 . 5.000 4.431 4.318 4.571 . 0 0 "[ . 1 . 2]" 1
171 2 7 ALA HA 2 9 VAL H 1.800 . 5.000 4.428 4.314 4.555 . 0 0 "[ . 1 . 2]" 1
172 1 9 VAL HA 1 12 ILE HB 1.800 . 4.200 3.018 2.690 3.363 . 0 0 "[ . 1 . 2]" 1
173 2 9 VAL HA 2 12 ILE HB 1.800 . 4.200 3.026 2.697 3.377 . 0 0 "[ . 1 . 2]" 1
174 1 9 VAL HA 1 12 ILE MD 1.800 . 5.000 3.064 2.394 5.029 0.029 11 0 "[ . 1 . 2]" 1
175 2 9 VAL HA 2 12 ILE MD 1.800 . 5.000 3.060 2.377 5.008 0.008 11 0 "[ . 1 . 2]" 1
176 1 44 PHE HZ 2 9 VAL MG2 1.800 . 5.000 4.310 2.948 5.285 0.285 18 0 "[ . 1 . 2]" 1
177 1 9 VAL MG2 2 44 PHE HZ 1.800 . 5.000 4.302 2.953 5.357 0.357 18 0 "[ . 1 . 2]" 1
178 1 89 PHE QD 2 9 VAL MG1 1.800 . 6.000 4.901 3.438 6.289 0.289 16 0 "[ . 1 . 2]" 1
179 1 9 VAL MG1 2 89 PHE QD 1.800 . 6.000 4.884 3.357 6.280 0.280 16 0 "[ . 1 . 2]" 1
180 1 10 ALA H 1 10 ALA HA 1.800 . 2.900 2.839 2.772 2.869 . 0 0 "[ . 1 . 2]" 1
181 2 10 ALA H 2 10 ALA HA 1.800 . 2.900 2.839 2.771 2.869 . 0 0 "[ . 1 . 2]" 1
182 1 10 ALA H 1 10 ALA MB 1.800 . 2.900 2.228 2.194 2.258 . 0 0 "[ . 1 . 2]" 1
183 2 10 ALA H 2 10 ALA MB 1.800 . 2.900 2.234 2.195 2.261 . 0 0 "[ . 1 . 2]" 1
184 1 9 VAL H 1 10 ALA H 1.800 . 2.900 2.644 2.558 2.745 . 0 0 "[ . 1 . 2]" 1
185 2 9 VAL H 2 10 ALA H 1.800 . 2.900 2.642 2.559 2.741 . 0 0 "[ . 1 . 2]" 1
186 1 9 VAL HA 1 10 ALA H 1.800 . 4.200 3.556 3.540 3.576 . 0 0 "[ . 1 . 2]" 1
187 2 9 VAL HA 2 10 ALA H 1.800 . 4.200 3.555 3.534 3.575 . 0 0 "[ . 1 . 2]" 1
188 1 9 VAL HB 1 10 ALA H 1.800 . 2.900 2.640 2.442 2.722 . 0 0 "[ . 1 . 2]" 1
189 2 9 VAL HB 2 10 ALA H 1.800 . 2.900 2.645 2.445 2.734 . 0 0 "[ . 1 . 2]" 1
190 1 9 VAL MG1 1 10 ALA HA 1.800 . 4.200 3.340 3.271 3.488 . 0 0 "[ . 1 . 2]" 1
191 2 9 VAL MG1 2 10 ALA HA 1.800 . 4.200 3.341 3.244 3.490 . 0 0 "[ . 1 . 2]" 1
192 1 6 LYS HA 1 10 ALA H 1.800 . 5.000 4.093 3.554 4.672 . 0 0 "[ . 1 . 2]" 1
193 2 6 LYS HA 2 10 ALA H 1.800 . 5.000 4.092 3.591 4.671 . 0 0 "[ . 1 . 2]" 1
194 1 7 ALA HA 1 10 ALA H 1.800 . 4.200 3.380 3.238 3.750 . 0 0 "[ . 1 . 2]" 1
195 2 7 ALA HA 2 10 ALA H 1.800 . 4.200 3.381 3.228 3.711 . 0 0 "[ . 1 . 2]" 1
196 1 8 MET H 1 10 ALA H 1.800 . 5.000 4.152 3.993 4.342 . 0 0 "[ . 1 . 2]" 1
197 2 8 MET H 2 10 ALA H 1.800 . 5.000 4.153 3.991 4.308 . 0 0 "[ . 1 . 2]" 1
198 1 8 MET HA 1 10 ALA H 1.800 . 5.000 4.506 4.319 4.771 . 0 0 "[ . 1 . 2]" 1
199 2 8 MET HA 2 10 ALA H 1.800 . 5.000 4.506 4.312 4.719 . 0 0 "[ . 1 . 2]" 1
200 1 10 ALA HA 1 13 ASP QB 1.800 . 3.300 2.553 2.298 2.852 . 0 0 "[ . 1 . 2]" 1
201 2 10 ALA HA 2 13 ASP QB 1.800 . 3.300 2.554 2.290 2.849 . 0 0 "[ . 1 . 2]" 1
202 1 10 ALA HA 1 14 VAL MG2 1.800 . 5.000 3.460 2.792 4.172 . 0 0 "[ . 1 . 2]" 1
203 2 10 ALA HA 2 14 VAL MG2 1.800 . 5.000 3.464 2.768 4.149 . 0 0 "[ . 1 . 2]" 1
204 1 10 ALA MB 1 14 VAL MG2 1.800 . 5.000 3.138 2.507 3.595 . 0 0 "[ . 1 . 2]" 1
205 2 10 ALA MB 2 14 VAL MG2 1.800 . 5.000 3.133 2.465 3.607 . 0 0 "[ . 1 . 2]" 1
206 1 3 GLU QB 2 10 ALA MB 1.800 . 5.000 3.299 2.273 4.811 . 0 0 "[ . 1 . 2]" 1
207 1 10 ALA MB 2 3 GLU QB 1.800 . 5.000 3.306 2.250 4.774 . 0 0 "[ . 1 . 2]" 1
208 1 4 LEU HA 2 10 ALA MB 1.800 . 5.000 4.261 3.144 5.139 0.139 12 0 "[ . 1 . 2]" 1
209 1 10 ALA MB 2 4 LEU HA 1.800 . 5.000 4.272 3.144 5.166 0.166 18 0 "[ . 1 . 2]" 1
210 1 7 ALA HA 2 10 ALA MB 1.800 . 6.000 4.979 4.110 5.899 . 0 0 "[ . 1 . 2]" 1
211 1 10 ALA MB 2 7 ALA HA 1.800 . 6.000 4.984 4.104 5.894 . 0 0 "[ . 1 . 2]" 1
212 1 6 LYS QB 1 10 ALA MB 1.800 . 5.000 4.163 3.362 4.725 . 0 0 "[ . 1 . 2]" 1
213 1 6 LYS QB 2 10 ALA MB 1.800 . 5.000 4.163 3.392 4.718 . 0 0 "[ . 1 . 2]" 1
214 1 11 LEU H 1 11 LEU HA 1.800 . 2.900 2.847 2.833 2.864 . 0 0 "[ . 1 . 2]" 1
215 2 11 LEU H 2 11 LEU HA 1.800 . 2.900 2.847 2.834 2.862 . 0 0 "[ . 1 . 2]" 1
216 1 11 LEU H 1 11 LEU QB 1.800 . 2.900 2.258 2.095 2.440 . 0 0 "[ . 1 . 2]" 1
217 2 11 LEU H 2 11 LEU QB 1.800 . 2.900 2.259 2.094 2.447 . 0 0 "[ . 1 . 2]" 1
218 1 10 ALA H 1 11 LEU H 1.800 . 2.900 2.803 2.690 3.051 0.151 4 0 "[ . 1 . 2]" 1
219 2 10 ALA H 2 11 LEU H 1.800 . 2.900 2.803 2.699 3.045 0.145 4 0 "[ . 1 . 2]" 1
220 1 10 ALA HA 1 11 LEU H 1.800 . 3.500 3.572 3.541 3.596 0.096 11 0 "[ . 1 . 2]" 1
221 2 10 ALA HA 2 11 LEU H 1.800 . 3.500 3.573 3.554 3.594 0.094 15 0 "[ . 1 . 2]" 1
222 1 10 ALA MB 1 11 LEU H 1.800 . 2.900 2.499 2.300 2.583 . 0 0 "[ . 1 . 2]" 1
223 2 10 ALA MB 2 11 LEU H 1.800 . 2.900 2.494 2.299 2.588 . 0 0 "[ . 1 . 2]" 1
224 1 7 ALA HA 1 11 LEU H 1.800 . 5.000 4.130 3.689 4.733 . 0 0 "[ . 1 . 2]" 1
225 2 7 ALA HA 2 11 LEU H 1.800 . 5.000 4.131 3.675 4.738 . 0 0 "[ . 1 . 2]" 1
226 1 8 MET HA 1 11 LEU H 1.800 . 4.200 3.710 3.400 4.113 . 0 0 "[ . 1 . 2]" 1
227 2 8 MET HA 2 11 LEU H 1.800 . 4.200 3.707 3.417 4.127 . 0 0 "[ . 1 . 2]" 1
228 1 9 VAL H 1 11 LEU H 1.800 . 5.000 4.299 4.128 4.582 . 0 0 "[ . 1 . 2]" 1
229 2 9 VAL H 2 11 LEU H 1.800 . 5.000 4.296 4.095 4.584 . 0 0 "[ . 1 . 2]" 1
230 1 9 VAL HA 1 11 LEU H 1.800 . 5.000 4.463 4.253 4.586 . 0 0 "[ . 1 . 2]" 1
231 2 9 VAL HA 2 11 LEU H 1.800 . 5.000 4.461 4.226 4.589 . 0 0 "[ . 1 . 2]" 1
232 1 11 LEU HA 1 14 VAL HB 1.800 . 3.300 3.081 2.806 3.413 0.113 1 0 "[ . 1 . 2]" 1
233 2 11 LEU HA 2 14 VAL HB 1.800 . 3.300 3.082 2.804 3.412 0.112 1 0 "[ . 1 . 2]" 1
234 1 11 LEU HA 1 14 VAL MG2 1.800 . 5.000 3.740 3.481 4.197 . 0 0 "[ . 1 . 2]" 1
235 2 11 LEU HA 2 14 VAL MG2 1.800 . 5.000 3.736 3.468 4.151 . 0 0 "[ . 1 . 2]" 1
236 1 11 LEU QD 1 74 PHE QE 1.800 . 5.000 2.758 2.153 3.843 . 0 0 "[ . 1 . 2]" 1
237 2 11 LEU QD 2 74 PHE QE 1.800 . 5.000 2.762 2.186 3.851 . 0 0 "[ . 1 . 2]" 1
238 1 4 LEU QD 2 11 LEU HA 1.800 . 4.200 3.233 2.450 4.453 0.253 15 0 "[ . 1 . 2]" 1
239 1 11 LEU HA 2 4 LEU QD 1.800 . 4.200 3.257 2.480 4.439 0.239 15 0 "[ . 1 . 2]" 1
240 1 4 LEU QD 2 11 LEU QD 1.800 . 4.200 2.401 1.864 3.061 . 0 0 "[ . 1 . 2]" 1
241 1 11 LEU QD 2 4 LEU QD 1.800 . 4.200 2.412 1.862 3.031 . 0 0 "[ . 1 . 2]" 1
242 1 11 LEU QD 2 11 LEU QD 1.800 . 5.000 4.050 2.668 5.268 0.268 9 0 "[ . 1 . 2]" 1
243 1 82 THR MG 2 11 LEU QD 1.800 . 5.000 3.917 2.288 4.819 . 0 0 "[ . 1 . 2]" 1
244 1 11 LEU QD 2 82 THR MG 1.800 . 5.000 3.909 2.257 4.739 . 0 0 "[ . 1 . 2]" 1
245 1 7 ALA MB 1 11 LEU H 1.800 . 4.200 4.001 3.600 4.390 0.190 7 0 "[ . 1 . 2]" 1
246 1 7 ALA MB 2 11 LEU H 1.800 . 4.200 3.998 3.618 4.395 0.195 7 0 "[ . 1 . 2]" 1
247 1 7 ALA MB 1 11 LEU QD 1.800 . 4.200 2.905 2.128 3.888 . 0 0 "[ . 1 . 2]" 1
248 1 7 ALA MB 2 11 LEU QD 1.800 . 4.200 2.903 2.075 3.885 . 0 0 "[ . 1 . 2]" 1
249 1 8 MET HA 1 11 LEU QD 1.800 . 4.200 3.404 2.332 4.364 0.164 18 0 "[ . 1 . 2]" 1
250 1 8 MET HA 2 11 LEU QD 1.800 . 4.200 3.403 2.353 4.373 0.173 18 0 "[ . 1 . 2]" 1
251 1 11 LEU QD 1 75 MET ME 1.800 . 4.200 3.053 2.237 4.330 0.130 3 0 "[ . 1 . 2]" 1
252 1 75 MET ME 2 11 LEU QD 1.800 . 4.200 3.061 2.182 4.336 0.136 3 0 "[ . 1 . 2]" 1
253 1 11 LEU QD 1 78 VAL MG1 1.800 . 4.200 3.128 2.351 3.765 . 0 0 "[ . 1 . 2]" 1
254 1 78 VAL MG1 2 11 LEU QD 1.800 . 4.200 3.122 2.364 3.760 . 0 0 "[ . 1 . 2]" 1
255 1 12 ILE H 1 12 ILE HB 1.800 . 2.900 2.465 2.394 2.533 . 0 0 "[ . 1 . 2]" 1
256 2 12 ILE H 2 12 ILE HB 1.800 . 2.900 2.467 2.405 2.537 . 0 0 "[ . 1 . 2]" 1
257 1 12 ILE HA 1 12 ILE MG 1.800 . 3.300 2.365 2.320 2.399 . 0 0 "[ . 1 . 2]" 1
258 2 12 ILE HA 2 12 ILE MG 1.800 . 3.300 2.359 2.317 2.388 . 0 0 "[ . 1 . 2]" 1
259 1 11 LEU H 1 12 ILE H 1.800 . 3.500 2.790 2.702 2.884 . 0 0 "[ . 1 . 2]" 1
260 2 11 LEU H 2 12 ILE H 1.800 . 3.500 2.789 2.707 2.886 . 0 0 "[ . 1 . 2]" 1
261 1 11 LEU HA 1 12 ILE H 1.800 . 4.200 3.573 3.550 3.599 . 0 0 "[ . 1 . 2]" 1
262 2 11 LEU HA 2 12 ILE H 1.800 . 4.200 3.574 3.550 3.598 . 0 0 "[ . 1 . 2]" 1
263 1 12 ILE MG 1 13 ASP HA 1.800 . 5.000 3.373 3.275 3.462 . 0 0 "[ . 1 . 2]" 1
264 2 12 ILE MG 2 13 ASP HA 1.800 . 5.000 3.372 3.274 3.466 . 0 0 "[ . 1 . 2]" 1
265 1 9 VAL HA 1 12 ILE H 1.800 . 4.200 3.580 3.284 3.776 . 0 0 "[ . 1 . 2]" 1
266 2 9 VAL HA 2 12 ILE H 1.800 . 4.200 3.580 3.281 3.770 . 0 0 "[ . 1 . 2]" 1
267 1 9 VAL MG1 1 12 ILE MG 1.800 . 5.000 4.402 3.623 4.809 . 0 0 "[ . 1 . 2]" 1
268 2 9 VAL MG1 2 12 ILE MG 1.800 . 5.000 4.415 3.690 4.801 . 0 0 "[ . 1 . 2]" 1
269 1 9 VAL MG2 1 12 ILE MD 1.800 . 6.000 3.934 3.350 5.913 . 0 0 "[ . 1 . 2]" 1
270 2 9 VAL MG2 2 12 ILE MD 1.800 . 6.000 3.937 3.323 5.853 . 0 0 "[ . 1 . 2]" 1
271 1 10 ALA H 1 12 ILE H 1.800 . 5.000 4.375 4.208 4.565 . 0 0 "[ . 1 . 2]" 1
272 2 10 ALA H 2 12 ILE H 1.800 . 5.000 4.376 4.197 4.562 . 0 0 "[ . 1 . 2]" 1
273 1 12 ILE HA 1 15 PHE QB 1.800 . 5.000 2.775 2.492 3.084 . 0 0 "[ . 1 . 2]" 1
274 2 12 ILE HA 2 15 PHE QB 1.800 . 5.000 2.775 2.481 3.102 . 0 0 "[ . 1 . 2]" 1
275 1 12 ILE MG 1 16 HIS QB 1.800 . 5.000 3.518 2.900 4.664 . 0 0 "[ . 1 . 2]" 1
276 2 12 ILE MG 2 16 HIS QB 1.800 . 5.000 3.514 2.869 4.664 . 0 0 "[ . 1 . 2]" 1
277 1 12 ILE HA 1 71 PHE QE 1.800 . 5.000 3.688 2.847 4.787 . 0 0 "[ . 1 . 2]" 1
278 2 12 ILE HA 2 71 PHE QE 1.800 . 5.000 3.691 2.856 4.791 . 0 0 "[ . 1 . 2]" 1
279 1 12 ILE HA 1 71 PHE HZ 1.800 . 6.000 4.348 3.298 5.755 . 0 0 "[ . 1 . 2]" 1
280 2 12 ILE HA 2 71 PHE HZ 1.800 . 6.000 4.341 3.287 5.775 . 0 0 "[ . 1 . 2]" 1
281 1 12 ILE MD 1 71 PHE QE 1.800 . 6.000 4.635 2.600 5.410 . 0 0 "[ . 1 . 2]" 1
282 2 12 ILE MD 2 71 PHE QE 1.800 . 6.000 4.640 2.614 5.397 . 0 0 "[ . 1 . 2]" 1
283 1 12 ILE MD 1 71 PHE HZ 1.800 . 6.000 4.262 2.773 5.165 . 0 0 "[ . 1 . 2]" 1
284 2 12 ILE MD 2 71 PHE HZ 1.800 . 6.000 4.266 2.761 5.142 . 0 0 "[ . 1 . 2]" 1
285 1 82 THR MG 2 12 ILE MD 1.800 . 4.200 3.026 2.156 4.259 0.059 10 0 "[ . 1 . 2]" 1
286 1 12 ILE MD 2 82 THR MG 1.800 . 4.200 3.028 2.130 4.311 0.111 10 0 "[ . 1 . 2]" 1
287 1 85 CYS QB 2 12 ILE MD 1.800 . 6.000 3.783 2.471 5.802 . 0 0 "[ . 1 . 2]" 1
288 1 12 ILE MD 2 85 CYS QB 1.800 . 6.000 3.779 2.461 5.937 . 0 0 "[ . 1 . 2]" 1
289 1 89 PHE QD 2 12 ILE MD 1.800 . 6.000 4.343 2.822 5.789 . 0 0 "[ . 1 . 2]" 1
290 1 12 ILE MD 2 89 PHE QD 1.800 . 6.000 4.339 2.944 5.787 . 0 0 "[ . 1 . 2]" 1
291 1 13 ASP H 1 13 ASP HA 1.800 . 2.900 2.853 2.834 2.885 . 0 0 "[ . 1 . 2]" 1
292 2 13 ASP H 2 13 ASP HA 1.800 . 2.900 2.852 2.835 2.886 . 0 0 "[ . 1 . 2]" 1
293 1 13 ASP H 1 13 ASP QB 1.800 . 2.900 2.296 2.250 2.389 . 0 0 "[ . 1 . 2]" 1
294 2 13 ASP H 2 13 ASP QB 1.800 . 2.900 2.293 2.243 2.397 . 0 0 "[ . 1 . 2]" 1
295 1 12 ILE H 1 13 ASP H 1.800 . 2.900 2.675 2.572 2.807 . 0 0 "[ . 1 . 2]" 1
296 2 12 ILE H 2 13 ASP H 1.800 . 2.900 2.676 2.580 2.809 . 0 0 "[ . 1 . 2]" 1
297 1 12 ILE HA 1 13 ASP H 1.800 . 5.000 3.566 3.552 3.587 . 0 0 "[ . 1 . 2]" 1
298 2 12 ILE HA 2 13 ASP H 1.800 . 5.000 3.565 3.553 3.587 . 0 0 "[ . 1 . 2]" 1
299 1 12 ILE HB 1 13 ASP H 1.800 . 2.900 2.572 2.468 2.703 . 0 0 "[ . 1 . 2]" 1
300 2 12 ILE HB 2 13 ASP H 1.800 . 2.900 2.565 2.459 2.653 . 0 0 "[ . 1 . 2]" 1
301 1 9 VAL HA 1 13 ASP H 1.800 . 5.000 3.996 3.668 4.484 . 0 0 "[ . 1 . 2]" 1
302 2 9 VAL HA 2 13 ASP H 1.800 . 5.000 3.997 3.679 4.484 . 0 0 "[ . 1 . 2]" 1
303 1 9 VAL MG1 1 13 ASP H 1.800 . 5.000 3.687 3.209 4.130 . 0 0 "[ . 1 . 2]" 1
304 2 9 VAL MG1 2 13 ASP H 1.800 . 5.000 3.690 3.232 4.145 . 0 0 "[ . 1 . 2]" 1
305 1 10 ALA HA 1 13 ASP H 1.800 . 4.200 3.482 3.243 3.699 . 0 0 "[ . 1 . 2]" 1
306 2 10 ALA HA 2 13 ASP H 1.800 . 4.200 3.487 3.245 3.706 . 0 0 "[ . 1 . 2]" 1
307 1 11 LEU H 1 13 ASP H 1.800 . 5.000 4.211 4.068 4.348 . 0 0 "[ . 1 . 2]" 1
308 2 11 LEU H 2 13 ASP H 1.800 . 5.000 4.213 4.063 4.365 . 0 0 "[ . 1 . 2]" 1
309 1 11 LEU HA 1 13 ASP H 1.800 . 5.000 4.634 4.496 4.862 . 0 0 "[ . 1 . 2]" 1
310 2 11 LEU HA 2 13 ASP H 1.800 . 5.000 4.637 4.508 4.891 . 0 0 "[ . 1 . 2]" 1
311 1 14 VAL H 1 14 VAL HA 1.800 . 2.900 2.865 2.840 2.886 . 0 0 "[ . 1 . 2]" 1
312 2 14 VAL H 2 14 VAL HA 1.800 . 2.900 2.864 2.840 2.885 . 0 0 "[ . 1 . 2]" 1
313 1 14 VAL H 1 14 VAL HB 1.800 . 2.900 2.419 2.386 2.495 . 0 0 "[ . 1 . 2]" 1
314 2 14 VAL H 2 14 VAL HB 1.800 . 2.900 2.421 2.363 2.518 . 0 0 "[ . 1 . 2]" 1
315 1 14 VAL H 1 14 VAL MG2 1.800 . 2.900 2.242 2.096 2.358 . 0 0 "[ . 1 . 2]" 1
316 2 14 VAL H 2 14 VAL MG2 1.800 . 2.900 2.237 2.096 2.323 . 0 0 "[ . 1 . 2]" 1
317 1 14 VAL HA 1 14 VAL MG1 1.800 . 2.700 2.412 2.340 2.457 . 0 0 "[ . 1 . 2]" 1
318 2 14 VAL HA 2 14 VAL MG1 1.800 . 2.700 2.412 2.334 2.448 . 0 0 "[ . 1 . 2]" 1
319 1 14 VAL HA 1 14 VAL MG2 1.800 . 2.700 2.305 2.242 2.368 . 0 0 "[ . 1 . 2]" 1
320 2 14 VAL HA 2 14 VAL MG2 1.800 . 2.700 2.318 2.247 2.388 . 0 0 "[ . 1 . 2]" 1
321 1 13 ASP H 1 14 VAL H 1.800 . 2.900 2.785 2.636 2.876 . 0 0 "[ . 1 . 2]" 1
322 2 13 ASP H 2 14 VAL H 1.800 . 2.900 2.785 2.639 2.876 . 0 0 "[ . 1 . 2]" 1
323 1 13 ASP HA 1 14 VAL H 1.800 . 4.200 3.575 3.558 3.593 . 0 0 "[ . 1 . 2]" 1
324 2 13 ASP HA 2 14 VAL H 1.800 . 4.200 3.574 3.558 3.595 . 0 0 "[ . 1 . 2]" 1
325 1 13 ASP QB 1 14 VAL H 1.800 . 2.900 2.466 2.335 2.631 . 0 0 "[ . 1 . 2]" 1
326 2 13 ASP QB 2 14 VAL H 1.800 . 2.900 2.464 2.331 2.637 . 0 0 "[ . 1 . 2]" 1
327 1 14 VAL MG1 1 36 LEU QD 1.800 . 4.200 3.397 2.687 4.122 . 0 0 "[ . 1 . 2]" 1
328 2 14 VAL MG1 2 36 LEU QD 1.800 . 4.200 3.395 2.689 4.122 . 0 0 "[ . 1 . 2]" 1
329 1 14 VAL MG1 1 74 PHE HZ 1.800 . 6.000 4.834 3.930 5.557 . 0 0 "[ . 1 . 2]" 1
330 2 14 VAL MG1 2 74 PHE HZ 1.800 . 6.000 4.844 3.940 5.637 . 0 0 "[ . 1 . 2]" 1
331 1 3 GLU QB 2 14 VAL MG2 1.800 . 5.000 3.232 2.341 4.525 . 0 0 "[ . 1 . 2]" 1
332 1 14 VAL MG2 2 3 GLU QB 1.800 . 5.000 3.231 2.369 4.554 . 0 0 "[ . 1 . 2]" 1
333 1 4 LEU HA 2 14 VAL MG1 1.800 . 6.000 4.887 3.825 6.109 0.109 15 0 "[ . 1 . 2]" 1
334 1 14 VAL MG1 2 4 LEU HA 1.800 . 6.000 4.898 3.770 6.101 0.101 15 0 "[ . 1 . 2]" 1
335 1 4 LEU QB 2 14 VAL MG1 1.800 . 5.000 3.374 2.297 4.803 . 0 0 "[ . 1 . 2]" 1
336 1 14 VAL MG1 2 4 LEU QB 1.800 . 5.000 3.395 2.335 4.762 . 0 0 "[ . 1 . 2]" 1
337 1 4 LEU QB 2 14 VAL MG2 1.800 . 5.000 3.569 2.463 5.140 0.140 1 0 "[ . 1 . 2]" 1
338 1 14 VAL MG2 2 4 LEU QB 1.800 . 5.000 3.594 2.507 5.090 0.090 1 0 "[ . 1 . 2]" 1
339 1 15 PHE H 1 15 PHE HA 1.800 . 2.900 2.841 2.826 2.854 . 0 0 "[ . 1 . 2]" 1
340 2 15 PHE H 2 15 PHE HA 1.800 . 2.900 2.840 2.826 2.850 . 0 0 "[ . 1 . 2]" 1
341 1 15 PHE H 1 15 PHE QB 1.800 . 2.900 2.259 2.213 2.292 . 0 0 "[ . 1 . 2]" 1
342 2 15 PHE H 2 15 PHE QB 1.800 . 2.900 2.259 2.214 2.291 . 0 0 "[ . 1 . 2]" 1
343 1 15 PHE HA 1 15 PHE QD 1.800 . 5.000 2.874 2.271 3.066 . 0 0 "[ . 1 . 2]" 1
344 2 15 PHE HA 2 15 PHE QD 1.800 . 5.000 2.875 2.245 3.072 . 0 0 "[ . 1 . 2]" 1
345 1 14 VAL H 1 15 PHE H 1.800 . 2.900 2.708 2.635 2.806 . 0 0 "[ . 1 . 2]" 1
346 2 14 VAL H 2 15 PHE H 1.800 . 2.900 2.708 2.626 2.807 . 0 0 "[ . 1 . 2]" 1
347 1 14 VAL HA 1 15 PHE H 1.800 . 4.200 3.562 3.543 3.584 . 0 0 "[ . 1 . 2]" 1
348 2 14 VAL HA 2 15 PHE H 1.800 . 4.200 3.561 3.542 3.585 . 0 0 "[ . 1 . 2]" 1
349 1 14 VAL HB 1 15 PHE H 1.800 . 2.900 2.619 2.432 2.723 . 0 0 "[ . 1 . 2]" 1
350 2 14 VAL HB 2 15 PHE H 1.800 . 2.900 2.615 2.440 2.696 . 0 0 "[ . 1 . 2]" 1
351 1 14 VAL MG1 1 15 PHE HA 1.800 . 5.000 3.320 3.237 3.418 . 0 0 "[ . 1 . 2]" 1
352 2 14 VAL MG1 2 15 PHE HA 1.800 . 5.000 3.316 3.252 3.449 . 0 0 "[ . 1 . 2]" 1
353 1 11 LEU HA 1 15 PHE H 1.800 . 5.000 4.046 3.563 4.517 . 0 0 "[ . 1 . 2]" 1
354 2 11 LEU HA 2 15 PHE H 1.800 . 5.000 4.045 3.557 4.516 . 0 0 "[ . 1 . 2]" 1
355 1 12 ILE HA 1 15 PHE H 1.800 . 4.200 3.660 3.486 3.922 . 0 0 "[ . 1 . 2]" 1
356 2 12 ILE HA 2 15 PHE H 1.800 . 4.200 3.661 3.484 3.950 . 0 0 "[ . 1 . 2]" 1
357 1 13 ASP H 1 15 PHE H 1.800 . 5.000 4.241 4.076 4.407 . 0 0 "[ . 1 . 2]" 1
358 2 13 ASP H 2 15 PHE H 1.800 . 5.000 4.242 4.075 4.421 . 0 0 "[ . 1 . 2]" 1
359 1 15 PHE HA 1 28 LEU QD 1.800 . 5.000 4.242 3.342 5.172 0.172 4 0 "[ . 1 . 2]" 1
360 2 15 PHE HA 2 28 LEU QD 1.800 . 5.000 4.233 3.284 5.202 0.202 4 0 "[ . 1 . 2]" 1
361 1 15 PHE QD 1 28 LEU QD 1.800 . 5.000 3.324 2.274 3.871 . 0 0 "[ . 1 . 2]" 1
362 2 15 PHE QD 2 28 LEU QD 1.800 . 5.000 3.327 2.288 3.910 . 0 0 "[ . 1 . 2]" 1
363 1 15 PHE QE 1 28 LEU QD 1.800 . 5.000 2.259 1.886 2.571 . 0 0 "[ . 1 . 2]" 1
364 2 15 PHE QE 2 28 LEU QD 1.800 . 5.000 2.262 1.892 2.614 . 0 0 "[ . 1 . 2]" 1
365 1 15 PHE HA 1 36 LEU QD 1.800 . 5.000 4.357 3.373 5.114 0.114 9 0 "[ . 1 . 2]" 1
366 2 15 PHE HA 2 36 LEU QD 1.800 . 5.000 4.354 3.368 5.110 0.110 9 0 "[ . 1 . 2]" 1
367 1 15 PHE QD 1 36 LEU QD 1.800 . 5.000 4.410 3.281 5.176 0.176 2 0 "[ . 1 . 2]" 1
368 2 15 PHE QD 2 36 LEU QD 1.800 . 5.000 4.410 3.267 5.173 0.173 2 0 "[ . 1 . 2]" 1
369 1 15 PHE QE 1 70 ASP HA 1.800 . 6.000 5.433 4.281 5.886 . 0 0 "[ . 1 . 2]" 1
370 2 15 PHE QE 2 70 ASP HA 1.800 . 6.000 5.429 4.297 5.889 . 0 0 "[ . 1 . 2]" 1
371 1 15 PHE HZ 1 70 ASP HA 1.800 . 5.000 4.745 3.161 5.262 0.262 6 0 "[ . 1 . 2]" 1
372 2 15 PHE HZ 2 70 ASP HA 1.800 . 5.000 4.742 3.174 5.254 0.254 6 0 "[ . 1 . 2]" 1
373 1 15 PHE HZ 1 71 PHE H 1.800 . 5.000 4.206 3.375 4.709 . 0 0 "[ . 1 . 2]" 1
374 2 15 PHE HZ 2 71 PHE H 1.800 . 5.000 4.205 3.386 4.713 . 0 0 "[ . 1 . 2]" 1
375 1 15 PHE QD 1 74 PHE QD 1.800 . 5.000 3.618 3.162 4.644 . 0 0 "[ . 1 . 2]" 1
376 2 15 PHE QD 2 74 PHE QD 1.800 . 5.000 3.614 3.154 4.654 . 0 0 "[ . 1 . 2]" 1
377 1 15 PHE QE 1 74 PHE QD 1.800 . 5.000 3.570 2.906 4.442 . 0 0 "[ . 1 . 2]" 1
378 2 15 PHE QE 2 74 PHE QD 1.800 . 5.000 3.573 2.891 4.502 . 0 0 "[ . 1 . 2]" 1
379 1 15 PHE H 1 41 LEU QD 1.800 . 6.000 4.778 4.107 5.755 . 0 0 "[ . 1 . 2]" 1
380 1 4 LEU QD 2 15 PHE H 1.800 . 6.000 4.765 4.124 5.771 . 0 0 "[ . 1 . 2]" 1
381 1 16 HIS H 1 16 HIS QB 1.800 . 2.900 2.279 2.182 2.560 . 0 0 "[ . 1 . 2]" 1
382 2 16 HIS H 2 16 HIS QB 1.800 . 2.900 2.279 2.191 2.566 . 0 0 "[ . 1 . 2]" 1
383 1 15 PHE H 1 16 HIS H 1.800 . 3.500 2.822 2.754 2.929 . 0 0 "[ . 1 . 2]" 1
384 2 15 PHE H 2 16 HIS H 1.800 . 3.500 2.820 2.747 2.918 . 0 0 "[ . 1 . 2]" 1
385 1 15 PHE HA 1 16 HIS H 1.800 . 4.200 3.576 3.550 3.603 . 0 0 "[ . 1 . 2]" 1
386 2 15 PHE HA 2 16 HIS H 1.800 . 4.200 3.575 3.550 3.602 . 0 0 "[ . 1 . 2]" 1
387 1 15 PHE QB 1 16 HIS H 1.800 . 3.500 2.433 2.286 2.560 . 0 0 "[ . 1 . 2]" 1
388 2 15 PHE QB 2 16 HIS H 1.800 . 3.500 2.431 2.287 2.550 . 0 0 "[ . 1 . 2]" 1
389 1 15 PHE QD 1 16 HIS H 1.800 . 5.000 3.186 2.711 3.596 . 0 0 "[ . 1 . 2]" 1
390 2 15 PHE QD 2 16 HIS H 1.800 . 5.000 3.189 2.713 3.595 . 0 0 "[ . 1 . 2]" 1
391 1 12 ILE HA 1 16 HIS H 1.800 . 5.000 4.076 3.499 4.507 . 0 0 "[ . 1 . 2]" 1
392 2 12 ILE HA 2 16 HIS H 1.800 . 5.000 4.077 3.501 4.507 . 0 0 "[ . 1 . 2]" 1
393 1 12 ILE MG 1 16 HIS H 1.800 . 6.000 4.017 3.726 4.538 . 0 0 "[ . 1 . 2]" 1
394 2 12 ILE MG 2 16 HIS H 1.800 . 6.000 4.014 3.717 4.534 . 0 0 "[ . 1 . 2]" 1
395 1 13 ASP HA 1 16 HIS H 1.800 . 4.200 3.755 3.618 3.984 . 0 0 "[ . 1 . 2]" 1
396 2 13 ASP HA 2 16 HIS H 1.800 . 4.200 3.751 3.612 3.981 . 0 0 "[ . 1 . 2]" 1
397 1 13 ASP HA 1 16 HIS QB 1.800 . 4.200 3.124 2.694 3.605 . 0 0 "[ . 1 . 2]" 1
398 2 13 ASP HA 2 16 HIS QB 1.800 . 4.200 3.118 2.653 3.606 . 0 0 "[ . 1 . 2]" 1
399 1 14 VAL H 1 16 HIS H 1.800 . 5.000 4.369 4.144 4.627 . 0 0 "[ . 1 . 2]" 1
400 2 14 VAL H 2 16 HIS H 1.800 . 5.000 4.365 4.132 4.610 . 0 0 "[ . 1 . 2]" 1
401 1 14 VAL HA 1 16 HIS H 1.800 . 5.000 4.596 4.438 4.802 . 0 0 "[ . 1 . 2]" 1
402 2 14 VAL HA 2 16 HIS H 1.800 . 5.000 4.593 4.425 4.782 . 0 0 "[ . 1 . 2]" 1
403 1 16 HIS H 1 18 TYR H 1.800 . 5.000 4.463 4.094 4.764 . 0 0 "[ . 1 . 2]" 1
404 2 16 HIS H 2 18 TYR H 1.800 . 5.000 4.466 4.097 4.765 . 0 0 "[ . 1 . 2]" 1
405 1 17 GLN H 1 17 GLN HA 1.800 . 2.900 2.850 2.818 2.885 . 0 0 "[ . 1 . 2]" 1
406 2 17 GLN H 2 17 GLN HA 1.800 . 2.900 2.849 2.817 2.886 . 0 0 "[ . 1 . 2]" 1
407 1 17 GLN H 1 17 GLN QB 1.800 . 2.900 2.308 2.209 2.426 . 0 0 "[ . 1 . 2]" 1
408 2 17 GLN H 2 17 GLN QB 1.800 . 2.900 2.309 2.214 2.443 . 0 0 "[ . 1 . 2]" 1
409 1 16 HIS H 1 17 GLN H 1.800 . 2.900 2.747 2.561 2.881 . 0 0 "[ . 1 . 2]" 1
410 2 16 HIS H 2 17 GLN H 1.800 . 2.900 2.749 2.548 2.889 . 0 0 "[ . 1 . 2]" 1
411 1 16 HIS HA 1 17 GLN H 1.800 . 4.200 3.572 3.533 3.595 . 0 0 "[ . 1 . 2]" 1
412 2 16 HIS HA 2 17 GLN H 1.800 . 4.200 3.572 3.530 3.599 . 0 0 "[ . 1 . 2]" 1
413 1 16 HIS QB 1 17 GLN H 1.800 . 2.900 2.540 2.269 2.876 . 0 0 "[ . 1 . 2]" 1
414 2 16 HIS QB 2 17 GLN H 1.800 . 2.900 2.539 2.263 2.875 . 0 0 "[ . 1 . 2]" 1
415 1 13 ASP HA 1 17 GLN H 1.800 . 5.000 4.121 3.639 4.568 . 0 0 "[ . 1 . 2]" 1
416 2 13 ASP HA 2 17 GLN H 1.800 . 5.000 4.118 3.639 4.576 . 0 0 "[ . 1 . 2]" 1
417 1 14 VAL HA 1 17 GLN H 1.800 . 4.200 3.616 3.409 3.846 . 0 0 "[ . 1 . 2]" 1
418 2 14 VAL HA 2 17 GLN H 1.800 . 4.200 3.615 3.411 3.846 . 0 0 "[ . 1 . 2]" 1
419 1 15 PHE H 1 17 GLN H 1.800 . 5.000 4.304 4.059 4.518 . 0 0 "[ . 1 . 2]" 1
420 2 15 PHE H 2 17 GLN H 1.800 . 5.000 4.307 4.055 4.522 . 0 0 "[ . 1 . 2]" 1
421 1 15 PHE HA 1 17 GLN H 1.800 . 5.000 4.658 4.421 4.921 . 0 0 "[ . 1 . 2]" 1
422 2 15 PHE HA 2 17 GLN H 1.800 . 5.000 4.661 4.414 4.935 . 0 0 "[ . 1 . 2]" 1
423 1 18 TYR H 1 18 TYR HA 1.800 . 2.900 2.888 2.868 2.911 0.011 8 0 "[ . 1 . 2]" 1
424 2 18 TYR H 2 18 TYR HA 1.800 . 2.900 2.887 2.865 2.911 0.011 8 0 "[ . 1 . 2]" 1
425 1 18 TYR H 1 18 TYR QB 1.800 . 2.900 2.254 2.130 2.369 . 0 0 "[ . 1 . 2]" 1
426 2 18 TYR H 2 18 TYR QB 1.800 . 2.900 2.254 2.132 2.336 . 0 0 "[ . 1 . 2]" 1
427 1 17 GLN H 1 18 TYR H 1.800 . 2.900 2.838 2.600 3.036 0.136 8 0 "[ . 1 . 2]" 1
428 2 17 GLN H 2 18 TYR H 1.800 . 2.900 2.840 2.601 3.032 0.132 8 0 "[ . 1 . 2]" 1
429 1 17 GLN HA 1 18 TYR H 1.800 . 3.500 3.582 3.540 3.604 0.104 7 0 "[ . 1 . 2]" 1
430 2 17 GLN HA 2 18 TYR H 1.800 . 3.500 3.582 3.539 3.606 0.106 7 0 "[ . 1 . 2]" 1
431 1 14 VAL HA 1 18 TYR H 1.800 . 5.000 3.909 3.326 4.642 . 0 0 "[ . 1 . 2]" 1
432 2 14 VAL HA 2 18 TYR H 1.800 . 5.000 3.909 3.325 4.645 . 0 0 "[ . 1 . 2]" 1
433 1 14 VAL MG1 1 18 TYR H 1.800 . 5.000 3.869 3.478 4.254 . 0 0 "[ . 1 . 2]" 1
434 2 14 VAL MG1 2 18 TYR H 1.800 . 5.000 3.871 3.481 4.253 . 0 0 "[ . 1 . 2]" 1
435 1 15 PHE HA 1 18 TYR H 1.800 . 5.000 3.954 3.566 4.862 . 0 0 "[ . 1 . 2]" 1
436 2 15 PHE HA 2 18 TYR H 1.800 . 5.000 3.957 3.561 4.865 . 0 0 "[ . 1 . 2]" 1
437 1 16 HIS HA 1 18 TYR H 1.800 . 5.000 4.734 4.421 5.021 0.021 3 0 "[ . 1 . 2]" 1
438 2 16 HIS HA 2 18 TYR H 1.800 . 5.000 4.736 4.423 5.035 0.035 3 0 "[ . 1 . 2]" 1
439 1 18 TYR HA 1 21 ARG QD 1.800 . 5.000 4.402 3.163 5.344 0.344 13 0 "[ . 1 . 2]" 1
440 2 18 TYR HA 2 21 ARG QD 1.800 . 5.000 4.401 3.207 5.340 0.340 13 0 "[ . 1 . 2]" 1
441 1 18 TYR QE 1 35 GLU QB 1.800 . 5.000 4.011 2.671 5.150 0.150 16 0 "[ . 1 . 2]" 1
442 2 18 TYR QE 2 35 GLU QB 1.800 . 5.000 4.016 2.672 5.149 0.149 16 0 "[ . 1 . 2]" 1
443 1 18 TYR QE 1 36 LEU HA 1.800 . 5.000 3.868 3.170 4.698 . 0 0 "[ . 1 . 2]" 1
444 2 18 TYR QE 2 36 LEU HA 1.800 . 5.000 3.866 3.161 4.708 . 0 0 "[ . 1 . 2]" 1
445 1 19 SER H 1 19 SER QB 1.800 . 3.500 2.368 2.221 2.504 . 0 0 "[ . 1 . 2]" 1
446 2 19 SER H 2 19 SER QB 1.800 . 3.500 2.372 2.219 2.537 . 0 0 "[ . 1 . 2]" 1
447 1 18 TYR H 1 19 SER H 1.800 . 2.900 2.634 2.555 2.704 . 0 0 "[ . 1 . 2]" 1
448 2 18 TYR H 2 19 SER H 1.800 . 2.900 2.639 2.558 2.711 . 0 0 "[ . 1 . 2]" 1
449 1 18 TYR HA 1 19 SER H 1.800 . 4.200 3.549 3.464 3.569 . 0 0 "[ . 1 . 2]" 1
450 2 18 TYR HA 2 19 SER H 1.800 . 4.200 3.550 3.465 3.573 . 0 0 "[ . 1 . 2]" 1
451 1 18 TYR QB 1 19 SER H 1.800 . 4.200 2.670 2.330 3.078 . 0 0 "[ . 1 . 2]" 1
452 2 18 TYR QB 2 19 SER H 1.800 . 4.200 2.672 2.362 3.078 . 0 0 "[ . 1 . 2]" 1
453 1 16 HIS HA 1 19 SER H 1.800 . 4.200 3.691 3.452 4.033 . 0 0 "[ . 1 . 2]" 1
454 2 16 HIS HA 2 19 SER H 1.800 . 4.200 3.688 3.452 4.024 . 0 0 "[ . 1 . 2]" 1
455 1 19 SER H 1 28 LEU QD 1.800 . 5.000 4.114 2.890 5.129 0.129 15 0 "[ . 1 . 2]" 1
456 2 19 SER H 2 28 LEU QD 1.800 . 5.000 4.123 2.899 5.142 0.142 15 0 "[ . 1 . 2]" 1
457 1 19 SER HA 1 28 LEU QD 1.800 . 5.000 3.038 2.150 4.377 . 0 0 "[ . 1 . 2]" 1
458 2 19 SER HA 2 28 LEU QD 1.800 . 5.000 3.045 2.138 4.371 . 0 0 "[ . 1 . 2]" 1
459 1 19 SER H 1 20 GLY H 1.800 . 2.900 2.718 2.520 2.881 . 0 0 "[ . 1 . 2]" 1
460 2 19 SER H 2 20 GLY H 1.800 . 2.900 2.717 2.518 2.866 . 0 0 "[ . 1 . 2]" 1
461 1 19 SER HA 1 20 GLY H 1.800 . 5.000 3.549 3.459 3.600 . 0 0 "[ . 1 . 2]" 1
462 2 19 SER HA 2 20 GLY H 1.800 . 5.000 3.549 3.455 3.596 . 0 0 "[ . 1 . 2]" 1
463 1 19 SER QB 1 20 GLY H 1.800 . 5.000 3.006 2.420 3.659 . 0 0 "[ . 1 . 2]" 1
464 2 19 SER QB 2 20 GLY H 1.800 . 5.000 3.004 2.423 3.667 . 0 0 "[ . 1 . 2]" 1
465 1 16 HIS HA 1 20 GLY H 1.800 . 6.000 3.893 3.171 4.592 . 0 0 "[ . 1 . 2]" 1
466 2 16 HIS HA 2 20 GLY H 1.800 . 6.000 3.893 3.174 4.600 . 0 0 "[ . 1 . 2]" 1
467 1 18 TYR H 1 20 GLY H 1.800 . 5.000 4.218 3.845 4.790 . 0 0 "[ . 1 . 2]" 1
468 2 18 TYR H 2 20 GLY H 1.800 . 5.000 4.224 3.857 4.777 . 0 0 "[ . 1 . 2]" 1
469 1 20 GLY QA 1 25 LYS QB 1.800 . 5.000 4.074 2.265 5.259 0.259 8 0 "[ . 1 . 2]" 1
470 2 20 GLY QA 2 25 LYS QB 1.800 . 5.000 4.076 2.275 5.258 0.258 8 0 "[ . 1 . 2]" 1
471 1 21 ARG H 1 21 ARG HA 1.800 . 2.900 2.847 2.830 2.885 . 0 0 "[ . 1 . 2]" 1
472 2 21 ARG H 2 21 ARG HA 1.800 . 2.900 2.846 2.833 2.882 . 0 0 "[ . 1 . 2]" 1
473 1 21 ARG H 1 21 ARG QB 1.800 . 2.900 2.261 2.048 2.530 . 0 0 "[ . 1 . 2]" 1
474 2 21 ARG H 2 21 ARG QB 1.800 . 2.900 2.263 2.067 2.531 . 0 0 "[ . 1 . 2]" 1
475 1 20 GLY H 1 21 ARG H 1.800 . 2.900 2.739 2.455 3.112 0.212 12 0 "[ . 1 . 2]" 1
476 2 20 GLY H 2 21 ARG H 1.800 . 2.900 2.736 2.454 3.123 0.223 12 0 "[ . 1 . 2]" 1
477 1 20 GLY QA 1 21 ARG H 1.800 . 3.500 2.902 2.685 2.967 . 0 0 "[ . 1 . 2]" 1
478 2 20 GLY QA 2 21 ARG H 1.800 . 3.500 2.902 2.685 2.967 . 0 0 "[ . 1 . 2]" 1
479 1 18 TYR HA 1 21 ARG H 1.800 . 5.000 3.787 3.222 5.066 0.066 12 0 "[ . 1 . 2]" 1
480 2 18 TYR HA 2 21 ARG H 1.800 . 5.000 3.787 3.230 5.078 0.078 12 0 "[ . 1 . 2]" 1
481 1 19 SER H 1 21 ARG H 1.800 . 5.000 4.149 3.858 4.722 . 0 0 "[ . 1 . 2]" 1
482 2 19 SER H 2 21 ARG H 1.800 . 5.000 4.145 3.860 4.731 . 0 0 "[ . 1 . 2]" 1
483 1 22 GLU H 1 22 GLU HA 1.800 . 2.900 2.961 2.850 3.006 0.106 9 0 "[ . 1 . 2]" 1
484 2 22 GLU H 2 22 GLU HA 1.800 . 2.900 2.960 2.849 3.005 0.105 9 0 "[ . 1 . 2]" 1
485 1 22 GLU H 1 22 GLU QB 1.800 . 2.900 2.628 2.247 3.236 0.336 3 0 "[ . 1 . 2]" 1
486 2 22 GLU H 2 22 GLU QB 1.800 . 2.900 2.625 2.246 3.233 0.333 3 0 "[ . 1 . 2]" 1
487 1 21 ARG H 1 22 GLU H 1.800 . 2.900 2.780 2.628 2.973 0.073 16 0 "[ . 1 . 2]" 1
488 2 21 ARG H 2 22 GLU H 1.800 . 2.900 2.780 2.624 2.973 0.073 16 0 "[ . 1 . 2]" 1
489 1 21 ARG HA 1 22 GLU H 1.800 . 4.200 3.567 3.508 3.603 . 0 0 "[ . 1 . 2]" 1
490 2 21 ARG HA 2 22 GLU H 1.800 . 4.200 3.567 3.505 3.608 . 0 0 "[ . 1 . 2]" 1
491 1 20 GLY QA 1 25 LYS HA 1.800 . 4.200 3.301 2.493 4.311 0.111 17 0 "[ . 1 . 2]" 1
492 2 20 GLY QA 2 25 LYS HA 1.800 . 4.200 3.302 2.494 4.285 0.085 17 0 "[ . 1 . 2]" 1
493 1 26 HIS H 1 26 HIS HA 1.800 . 2.900 2.892 2.325 3.002 0.102 12 0 "[ . 1 . 2]" 1
494 2 26 HIS H 2 26 HIS HA 1.800 . 2.900 2.891 2.325 2.997 0.097 5 0 "[ . 1 . 2]" 1
495 1 26 HIS H 1 26 HIS QB 1.800 . 2.900 2.692 2.062 3.295 0.395 3 0 "[ . 1 . 2]" 1
496 2 26 HIS H 2 26 HIS QB 1.800 . 2.900 2.693 2.057 3.292 0.392 3 0 "[ . 1 . 2]" 1
497 1 25 LYS HA 1 26 HIS H 1.800 . 5.000 3.173 2.213 3.582 . 0 0 "[ . 1 . 2]" 1
498 2 25 LYS HA 2 26 HIS H 1.800 . 5.000 3.171 2.212 3.582 . 0 0 "[ . 1 . 2]" 1
499 1 25 LYS QB 1 26 HIS H 1.800 . 5.000 3.013 1.783 3.960 0.017 4 0 "[ . 1 . 2]" 1
500 2 25 LYS QB 2 26 HIS H 1.800 . 5.000 3.012 1.784 3.960 0.016 4 0 "[ . 1 . 2]" 1
501 1 25 LYS QG 1 26 HIS H 1.800 . 5.000 3.436 1.733 4.758 0.067 17 0 "[ . 1 . 2]" 1
502 2 25 LYS QG 2 26 HIS H 1.800 . 5.000 3.439 1.745 4.754 0.055 17 0 "[ . 1 . 2]" 1
503 1 27 LYS H 1 27 LYS QB 1.800 . 3.500 2.928 2.549 3.281 . 0 0 "[ . 1 . 2]" 1
504 2 27 LYS H 2 27 LYS QB 1.800 . 3.500 2.927 2.555 3.281 . 0 0 "[ . 1 . 2]" 1
505 1 26 HIS H 1 27 LYS H 1.800 . 2.900 2.588 2.163 3.280 0.380 4 0 "[ . 1 . 2]" 1
506 2 26 HIS H 2 27 LYS H 1.800 . 2.900 2.588 2.167 3.267 0.367 4 0 "[ . 1 . 2]" 1
507 1 26 HIS HA 1 27 LYS H 1.800 . 3.500 3.178 2.419 3.578 0.078 20 0 "[ . 1 . 2]" 1
508 2 26 HIS HA 2 27 LYS H 1.800 . 3.500 3.177 2.430 3.578 0.078 7 0 "[ . 1 . 2]" 1
509 1 26 HIS QB 1 27 LYS H 1.800 . 5.000 3.504 2.092 4.078 . 0 0 "[ . 1 . 2]" 1
510 2 26 HIS QB 2 27 LYS H 1.800 . 5.000 3.502 2.091 4.071 . 0 0 "[ . 1 . 2]" 1
511 1 15 PHE HZ 1 27 LYS HA 1.800 . 5.000 3.929 2.740 4.999 . 0 0 "[ . 1 . 2]" 1
512 2 15 PHE HZ 2 27 LYS HA 1.800 . 5.000 3.931 2.751 4.995 . 0 0 "[ . 1 . 2]" 1
513 1 19 SER QB 1 27 LYS H 1.800 . 6.000 4.180 2.916 5.490 . 0 0 "[ . 1 . 2]" 1
514 2 19 SER QB 2 27 LYS H 1.800 . 6.000 4.178 2.916 5.488 . 0 0 "[ . 1 . 2]" 1
515 1 27 LYS HA 1 70 ASP HA 1.800 . 5.000 3.641 2.470 4.975 . 0 0 "[ . 1 . 2]" 1
516 2 27 LYS HA 2 70 ASP HA 1.800 . 5.000 3.641 2.455 4.976 . 0 0 "[ . 1 . 2]" 1
517 1 28 LEU H 1 28 LEU QB 1.800 . 3.500 2.516 2.275 3.091 . 0 0 "[ . 1 . 2]" 1
518 2 28 LEU H 2 28 LEU QB 1.800 . 3.500 2.515 2.274 3.093 . 0 0 "[ . 1 . 2]" 1
519 1 27 LYS H 1 28 LEU H 1.800 . 5.000 4.431 4.266 4.495 . 0 0 "[ . 1 . 2]" 1
520 2 27 LYS H 2 28 LEU H 1.800 . 5.000 4.431 4.263 4.498 . 0 0 "[ . 1 . 2]" 1
521 1 27 LYS HA 1 28 LEU H 1.800 . 2.900 2.336 2.210 2.449 . 0 0 "[ . 1 . 2]" 1
522 2 27 LYS HA 2 28 LEU H 1.800 . 2.900 2.336 2.210 2.441 . 0 0 "[ . 1 . 2]" 1
523 1 27 LYS QB 1 28 LEU H 1.800 . 4.200 2.729 2.301 3.574 . 0 0 "[ . 1 . 2]" 1
524 2 27 LYS QB 2 28 LEU H 1.800 . 4.200 2.725 2.299 3.565 . 0 0 "[ . 1 . 2]" 1
525 1 27 LYS QB 1 28 LEU QD 1.800 . 6.000 4.467 3.596 5.240 . 0 0 "[ . 1 . 2]" 1
526 2 27 LYS QB 2 28 LEU QD 1.800 . 6.000 4.462 3.587 5.235 . 0 0 "[ . 1 . 2]" 1
527 1 28 LEU QD 1 32 GLU HA 1.800 . 6.000 4.937 4.146 5.884 . 0 0 "[ . 1 . 2]" 1
528 2 28 LEU QD 2 32 GLU HA 1.800 . 6.000 4.937 4.165 5.888 . 0 0 "[ . 1 . 2]" 1
529 1 28 LEU QD 1 32 GLU QB 1.800 . 5.000 2.892 1.994 3.925 . 0 0 "[ . 1 . 2]" 1
530 2 28 LEU QD 2 32 GLU QB 1.800 . 5.000 2.894 2.010 3.939 . 0 0 "[ . 1 . 2]" 1
531 1 28 LEU HA 1 32 GLU QB 1.800 . 5.000 3.347 2.717 4.203 . 0 0 "[ . 1 . 2]" 1
532 2 28 LEU HA 2 32 GLU QB 1.800 . 5.000 3.346 2.730 4.211 . 0 0 "[ . 1 . 2]" 1
533 1 28 LEU QD 1 33 LEU QB 1.800 . 6.000 4.095 2.777 5.065 . 0 0 "[ . 1 . 2]" 1
534 2 28 LEU QD 2 33 LEU QB 1.800 . 6.000 4.090 2.803 5.106 . 0 0 "[ . 1 . 2]" 1
535 1 28 LEU QD 1 33 LEU QD 1.800 . 4.200 3.183 2.210 4.009 . 0 0 "[ . 1 . 2]" 1
536 2 28 LEU QD 2 33 LEU QD 1.800 . 4.200 3.189 2.192 3.981 . 0 0 "[ . 1 . 2]" 1
537 1 18 TYR QB 1 28 LEU QD 1.800 . 5.000 3.826 2.165 5.157 0.157 18 0 "[ . 1 . 2]" 1
538 2 18 TYR QB 2 28 LEU QD 1.800 . 5.000 3.833 2.259 5.173 0.173 18 0 "[ . 1 . 2]" 1
539 1 28 LEU QD 1 36 LEU QB 1.800 . 6.000 3.929 2.540 4.897 . 0 0 "[ . 1 . 2]" 1
540 2 28 LEU QD 2 36 LEU QB 1.800 . 6.000 3.922 2.532 4.892 . 0 0 "[ . 1 . 2]" 1
541 1 28 LEU H 1 69 CYS QB 1.800 . 5.000 4.054 2.963 4.957 . 0 0 "[ . 1 . 2]" 1
542 2 28 LEU H 2 69 CYS QB 1.800 . 5.000 4.064 3.021 4.960 . 0 0 "[ . 1 . 2]" 1
543 1 28 LEU H 1 29 LYS H 1.800 . 5.000 4.457 4.266 4.549 . 0 0 "[ . 1 . 2]" 1
544 2 28 LEU H 2 29 LYS H 1.800 . 5.000 4.459 4.268 4.566 . 0 0 "[ . 1 . 2]" 1
545 1 28 LEU HA 1 29 LYS H 1.800 . 2.900 2.209 2.149 2.264 . 0 0 "[ . 1 . 2]" 1
546 2 28 LEU HA 2 29 LYS H 1.800 . 2.900 2.209 2.143 2.275 . 0 0 "[ . 1 . 2]" 1
547 1 28 LEU QD 1 29 LYS H 1.800 . 5.000 3.601 2.442 4.342 . 0 0 "[ . 1 . 2]" 1
548 2 28 LEU QD 2 29 LYS H 1.800 . 5.000 3.607 2.426 4.338 . 0 0 "[ . 1 . 2]" 1
549 1 29 LYS H 1 32 GLU QB 1.800 . 5.000 2.444 1.778 3.095 0.022 12 0 "[ . 1 . 2]" 1
550 2 29 LYS H 2 32 GLU QB 1.800 . 5.000 2.434 1.757 3.091 0.043 12 0 "[ . 1 . 2]" 1
551 1 29 LYS H 1 33 LEU H 1.800 . 5.000 4.323 3.574 5.085 0.085 15 0 "[ . 1 . 2]" 1
552 2 29 LYS H 2 33 LEU H 1.800 . 5.000 4.322 3.571 5.087 0.087 15 0 "[ . 1 . 2]" 1
553 1 29 LYS HA 1 30 LYS H 1.800 . 2.900 2.524 2.280 2.647 . 0 0 "[ . 1 . 2]" 1
554 2 29 LYS HA 2 30 LYS H 1.800 . 2.900 2.523 2.259 2.643 . 0 0 "[ . 1 . 2]" 1
555 1 30 LYS HA 1 33 LEU QB 1.800 . 5.000 2.721 2.231 3.429 . 0 0 "[ . 1 . 2]" 1
556 2 30 LYS HA 2 33 LEU QB 1.800 . 5.000 2.721 2.230 3.425 . 0 0 "[ . 1 . 2]" 1
557 1 30 LYS HA 1 33 LEU QD 1.800 . 5.000 3.336 2.257 4.153 . 0 0 "[ . 1 . 2]" 1
558 2 30 LYS HA 2 33 LEU QD 1.800 . 5.000 3.347 2.242 4.159 . 0 0 "[ . 1 . 2]" 1
559 1 30 LYS HA 1 54 VAL MG1 1.800 . 5.000 4.449 3.280 5.133 0.133 10 0 "[ . 1 . 2]" 1
560 2 30 LYS HA 2 54 VAL MG1 1.800 . 5.000 4.443 3.270 5.083 0.083 10 0 "[ . 1 . 2]" 1
561 1 30 LYS H 1 58 MET ME 1.800 . 5.000 3.878 2.967 4.463 . 0 0 "[ . 1 . 2]" 1
562 2 30 LYS H 2 58 MET ME 1.800 . 5.000 3.876 2.966 4.438 . 0 0 "[ . 1 . 2]" 1
563 1 30 LYS HA 1 58 MET ME 1.800 . 3.300 3.012 2.446 3.478 0.178 19 0 "[ . 1 . 2]" 1
564 2 30 LYS HA 2 58 MET ME 1.800 . 3.300 2.976 2.351 3.496 0.196 19 0 "[ . 1 . 2]" 1
565 1 30 LYS HA 1 31 SER H 1.800 . 5.000 3.565 3.494 3.611 . 0 0 "[ . 1 . 2]" 1
566 2 30 LYS HA 2 31 SER H 1.800 . 5.000 3.565 3.500 3.597 . 0 0 "[ . 1 . 2]" 1
567 1 30 LYS QB 1 31 SER H 1.800 . 4.200 2.839 2.155 3.609 . 0 0 "[ . 1 . 2]" 1
568 2 30 LYS QB 2 31 SER H 1.800 . 4.200 2.841 2.174 3.614 . 0 0 "[ . 1 . 2]" 1
569 1 31 SER H 1 32 GLU H 1.800 . 5.000 2.749 2.634 2.813 . 0 0 "[ . 1 . 2]" 1
570 2 31 SER H 2 32 GLU H 1.800 . 5.000 2.746 2.626 2.819 . 0 0 "[ . 1 . 2]" 1
571 1 32 GLU H 1 32 GLU HA 1.800 . 2.900 2.871 2.841 2.895 . 0 0 "[ . 1 . 2]" 1
572 2 32 GLU H 2 32 GLU HA 1.800 . 2.900 2.870 2.837 2.896 . 0 0 "[ . 1 . 2]" 1
573 1 32 GLU H 1 32 GLU QB 1.800 . 2.900 2.342 2.253 2.478 . 0 0 "[ . 1 . 2]" 1
574 2 32 GLU H 2 32 GLU QB 1.800 . 2.900 2.335 2.261 2.476 . 0 0 "[ . 1 . 2]" 1
575 1 31 SER HA 1 32 GLU H 1.800 . 4.200 3.561 3.544 3.584 . 0 0 "[ . 1 . 2]" 1
576 2 31 SER HA 2 32 GLU H 1.800 . 4.200 3.559 3.533 3.581 . 0 0 "[ . 1 . 2]" 1
577 1 31 SER QB 1 32 GLU H 1.800 . 4.200 2.858 2.430 3.412 . 0 0 "[ . 1 . 2]" 1
578 2 31 SER QB 2 32 GLU H 1.800 . 4.200 2.860 2.422 3.414 . 0 0 "[ . 1 . 2]" 1
579 1 28 LEU QD 1 32 GLU H 1.800 . 6.000 5.127 4.151 5.960 . 0 0 "[ . 1 . 2]" 1
580 2 28 LEU QD 2 32 GLU H 1.800 . 6.000 5.131 4.171 5.960 . 0 0 "[ . 1 . 2]" 1
581 1 29 LYS H 1 32 GLU H 1.800 . 4.200 3.575 3.171 4.095 . 0 0 "[ . 1 . 2]" 1
582 2 29 LYS H 2 32 GLU H 1.800 . 4.200 3.575 3.178 4.104 . 0 0 "[ . 1 . 2]" 1
583 1 29 LYS QB 1 32 GLU H 1.800 . 5.000 3.122 2.482 4.293 . 0 0 "[ . 1 . 2]" 1
584 2 29 LYS QB 2 32 GLU H 1.800 . 5.000 3.115 2.480 4.265 . 0 0 "[ . 1 . 2]" 1
585 1 30 LYS H 1 32 GLU H 1.800 . 6.000 4.365 4.110 4.698 . 0 0 "[ . 1 . 2]" 1
586 2 30 LYS H 2 32 GLU H 1.800 . 6.000 4.363 4.115 4.695 . 0 0 "[ . 1 . 2]" 1
587 1 30 LYS HA 1 32 GLU H 1.800 . 6.000 4.466 4.226 4.688 . 0 0 "[ . 1 . 2]" 1
588 2 30 LYS HA 2 32 GLU H 1.800 . 6.000 4.462 4.225 4.671 . 0 0 "[ . 1 . 2]" 1
589 1 32 GLU HA 1 35 GLU QB 1.800 . 3.300 2.778 2.477 3.264 . 0 0 "[ . 1 . 2]" 1
590 2 32 GLU HA 2 35 GLU QB 1.800 . 3.300 2.774 2.477 3.272 . 0 0 "[ . 1 . 2]" 1
591 1 33 LEU H 1 33 LEU HA 1.800 . 2.900 2.840 2.821 2.858 . 0 0 "[ . 1 . 2]" 1
592 2 33 LEU H 2 33 LEU HA 1.800 . 2.900 2.841 2.826 2.862 . 0 0 "[ . 1 . 2]" 1
593 1 33 LEU H 1 33 LEU QB 1.800 . 2.900 2.258 2.044 2.455 . 0 0 "[ . 1 . 2]" 1
594 2 33 LEU H 2 33 LEU QB 1.800 . 2.900 2.259 2.048 2.469 . 0 0 "[ . 1 . 2]" 1
595 1 32 GLU H 1 33 LEU H 1.800 . 2.900 2.656 2.518 2.804 . 0 0 "[ . 1 . 2]" 1
596 2 32 GLU H 2 33 LEU H 1.800 . 2.900 2.657 2.511 2.807 . 0 0 "[ . 1 . 2]" 1
597 1 32 GLU HA 1 33 LEU H 1.800 . 4.200 3.546 3.514 3.570 . 0 0 "[ . 1 . 2]" 1
598 2 32 GLU HA 2 33 LEU H 1.800 . 4.200 3.547 3.513 3.574 . 0 0 "[ . 1 . 2]" 1
599 1 32 GLU QB 1 33 LEU H 1.800 . 2.900 2.647 2.513 2.828 . 0 0 "[ . 1 . 2]" 1
600 2 32 GLU QB 2 33 LEU H 1.800 . 2.900 2.648 2.512 2.807 . 0 0 "[ . 1 . 2]" 1
601 1 28 LEU QD 1 33 LEU H 1.800 . 5.000 4.369 3.379 5.072 0.072 18 0 "[ . 1 . 2]" 1
602 2 28 LEU QD 2 33 LEU H 1.800 . 5.000 4.366 3.393 5.057 0.057 18 0 "[ . 1 . 2]" 1
603 1 28 LEU QD 1 33 LEU HA 1.800 . 5.000 3.790 2.919 4.522 . 0 0 "[ . 1 . 2]" 1
604 2 28 LEU QD 2 33 LEU HA 1.800 . 5.000 3.780 2.881 4.510 . 0 0 "[ . 1 . 2]" 1
605 1 30 LYS HA 1 33 LEU H 1.800 . 5.000 3.472 3.060 3.942 . 0 0 "[ . 1 . 2]" 1
606 2 30 LYS HA 2 33 LEU H 1.800 . 5.000 3.466 3.063 3.934 . 0 0 "[ . 1 . 2]" 1
607 1 31 SER H 1 33 LEU H 1.800 . 5.000 4.172 3.924 4.335 . 0 0 "[ . 1 . 2]" 1
608 2 31 SER H 2 33 LEU H 1.800 . 5.000 4.171 3.924 4.336 . 0 0 "[ . 1 . 2]" 1
609 1 31 SER HA 1 33 LEU H 1.800 . 5.000 4.416 4.195 4.612 . 0 0 "[ . 1 . 2]" 1
610 2 31 SER HA 2 33 LEU H 1.800 . 5.000 4.419 4.212 4.625 . 0 0 "[ . 1 . 2]" 1
611 1 33 LEU HA 1 36 LEU QB 1.800 . 4.200 2.728 2.273 3.243 . 0 0 "[ . 1 . 2]" 1
612 2 33 LEU HA 2 36 LEU QB 1.800 . 4.200 2.725 2.272 3.254 . 0 0 "[ . 1 . 2]" 1
613 1 33 LEU HA 1 36 LEU QD 1.800 . 5.000 3.406 2.292 4.575 . 0 0 "[ . 1 . 2]" 1
614 2 33 LEU HA 2 36 LEU QD 1.800 . 5.000 3.404 2.305 4.576 . 0 0 "[ . 1 . 2]" 1
615 1 33 LEU QD 1 37 ILE QG 1.800 . 5.000 3.035 2.251 4.273 . 0 0 "[ . 1 . 2]" 1
616 2 33 LEU QD 2 37 ILE QG 1.800 . 5.000 3.038 2.234 4.354 . 0 0 "[ . 1 . 2]" 1
617 1 33 LEU QD 1 37 ILE MD 1.800 . 3.300 2.616 1.988 3.188 . 0 0 "[ . 1 . 2]" 1
618 2 33 LEU QD 2 37 ILE MD 1.800 . 3.300 2.602 2.019 3.222 . 0 0 "[ . 1 . 2]" 1
619 1 33 LEU QD 1 54 VAL MG2 1.800 . 5.000 4.261 3.084 5.090 0.090 3 0 "[ . 1 . 2]" 1
620 2 33 LEU QD 2 54 VAL MG2 1.800 . 5.000 4.250 3.101 5.065 0.065 3 0 "[ . 1 . 2]" 1
621 1 33 LEU QD 1 58 MET HA 1.800 . 5.000 4.031 3.062 4.995 . 0 0 "[ . 1 . 2]" 1
622 2 33 LEU QD 2 58 MET HA 1.800 . 5.000 4.036 3.078 5.017 0.017 16 0 "[ . 1 . 2]" 1
623 1 33 LEU QD 1 58 MET ME 1.800 . 3.300 2.889 2.164 3.412 0.112 17 0 "[ . 1 . 2]" 1
624 2 33 LEU QD 2 58 MET ME 1.800 . 3.300 2.898 2.156 3.460 0.160 17 0 "[ . 1 . 2]" 1
625 1 33 LEU QD 1 69 CYS QB 1.800 . 6.000 3.315 2.544 4.199 . 0 0 "[ . 1 . 2]" 1
626 2 33 LEU QD 2 69 CYS QB 1.800 . 6.000 3.324 2.514 4.188 . 0 0 "[ . 1 . 2]" 1
627 1 33 LEU QD 1 53 VAL MG1 1.800 . 5.000 2.970 1.955 3.833 . 0 0 "[ . 1 . 2]" 1
628 2 33 LEU QD 2 53 VAL MG1 1.800 . 5.000 2.965 1.959 3.841 . 0 0 "[ . 1 . 2]" 1
629 1 34 LYS H 1 34 LYS HA 1.800 . 2.900 2.848 2.838 2.882 . 0 0 "[ . 1 . 2]" 1
630 2 34 LYS H 2 34 LYS HA 1.800 . 2.900 2.848 2.838 2.884 . 0 0 "[ . 1 . 2]" 1
631 1 34 LYS H 1 34 LYS QB 1.800 . 2.900 2.300 2.224 2.653 . 0 0 "[ . 1 . 2]" 1
632 2 34 LYS H 2 34 LYS QB 1.800 . 2.900 2.303 2.227 2.659 . 0 0 "[ . 1 . 2]" 1
633 1 33 LEU H 1 34 LYS H 1.800 . 2.900 2.802 2.711 2.931 0.031 19 0 "[ . 1 . 2]" 1
634 2 33 LEU H 2 34 LYS H 1.800 . 2.900 2.801 2.705 2.924 0.024 19 0 "[ . 1 . 2]" 1
635 1 33 LEU HA 1 34 LYS H 1.800 . 3.500 3.574 3.543 3.611 0.111 10 0 "[ . 1 . 2]" 1
636 2 33 LEU HA 2 34 LYS H 1.800 . 3.500 3.575 3.535 3.618 0.118 10 0 "[ . 1 . 2]" 1
637 1 33 LEU QB 1 34 LYS H 1.800 . 3.500 2.494 2.362 2.673 . 0 0 "[ . 1 . 2]" 1
638 2 33 LEU QB 2 34 LYS H 1.800 . 3.500 2.492 2.366 2.659 . 0 0 "[ . 1 . 2]" 1
639 1 33 LEU HG 1 34 LYS H 1.800 . 5.000 4.176 3.453 5.064 0.064 15 0 "[ . 1 . 2]" 1
640 2 33 LEU HG 2 34 LYS H 1.800 . 5.000 4.169 3.432 5.068 0.068 15 0 "[ . 1 . 2]" 1
641 1 33 LEU QD 1 34 LYS H 1.800 . 5.000 3.615 2.658 4.113 . 0 0 "[ . 1 . 2]" 1
642 2 33 LEU QD 2 34 LYS H 1.800 . 5.000 3.614 2.666 4.128 . 0 0 "[ . 1 . 2]" 1
643 1 30 LYS HA 1 34 LYS H 1.800 . 5.000 4.344 3.774 4.891 . 0 0 "[ . 1 . 2]" 1
644 2 30 LYS HA 2 34 LYS H 1.800 . 5.000 4.336 3.765 4.887 . 0 0 "[ . 1 . 2]" 1
645 1 31 SER HA 1 34 LYS H 1.800 . 4.200 3.714 3.428 4.034 . 0 0 "[ . 1 . 2]" 1
646 2 31 SER HA 2 34 LYS H 1.800 . 4.200 3.717 3.415 4.046 . 0 0 "[ . 1 . 2]" 1
647 1 32 GLU H 1 34 LYS H 1.800 . 5.000 4.385 4.174 4.599 . 0 0 "[ . 1 . 2]" 1
648 2 32 GLU H 2 34 LYS H 1.800 . 5.000 4.383 4.155 4.612 . 0 0 "[ . 1 . 2]" 1
649 1 32 GLU HA 1 34 LYS H 1.800 . 5.000 4.489 4.243 4.684 . 0 0 "[ . 1 . 2]" 1
650 2 32 GLU HA 2 34 LYS H 1.800 . 5.000 4.491 4.241 4.669 . 0 0 "[ . 1 . 2]" 1
651 1 34 LYS HA 1 37 ILE HB 1.800 . 4.200 3.188 2.637 3.653 . 0 0 "[ . 1 . 2]" 1
652 2 34 LYS HA 2 37 ILE HB 1.800 . 4.200 3.192 2.642 3.651 . 0 0 "[ . 1 . 2]" 1
653 1 34 LYS HA 1 37 ILE MG 1.800 . 5.000 4.477 3.900 4.960 . 0 0 "[ . 1 . 2]" 1
654 2 34 LYS HA 2 37 ILE MG 1.800 . 5.000 4.480 3.913 4.947 . 0 0 "[ . 1 . 2]" 1
655 1 34 LYS HA 1 37 ILE MD 1.800 . 5.000 3.026 2.372 4.741 . 0 0 "[ . 1 . 2]" 1
656 2 34 LYS HA 2 37 ILE MD 1.800 . 5.000 3.018 2.373 4.728 . 0 0 "[ . 1 . 2]" 1
657 1 34 LYS HA 1 48 ILE MG 1.800 . 6.000 4.783 3.533 5.922 . 0 0 "[ . 1 . 2]" 1
658 2 34 LYS HA 2 48 ILE MG 1.800 . 6.000 4.779 3.529 5.924 . 0 0 "[ . 1 . 2]" 1
659 1 34 LYS HA 1 48 ILE MD 1.800 . 5.000 4.785 3.906 5.243 0.243 1 0 "[ . 1 . 2]" 1
660 2 34 LYS HA 2 48 ILE MD 1.800 . 5.000 4.790 3.910 5.262 0.262 1 0 "[ . 1 . 2]" 1
661 1 34 LYS H 1 54 VAL MG1 1.800 . 5.000 4.132 3.277 4.699 . 0 0 "[ . 1 . 2]" 1
662 2 34 LYS H 2 54 VAL MG1 1.800 . 5.000 4.127 3.285 4.707 . 0 0 "[ . 1 . 2]" 1
663 1 34 LYS H 1 54 VAL MG2 1.800 . 5.000 5.067 4.362 5.424 0.424 2 0 "[ . 1 . 2]" 1
664 2 34 LYS H 2 54 VAL MG2 1.800 . 5.000 5.058 4.284 5.425 0.425 18 0 "[ . 1 . 2]" 1
665 1 34 LYS HA 1 54 VAL MG2 1.800 . 6.000 3.733 2.679 4.386 . 0 0 "[ . 1 . 2]" 1
666 2 34 LYS HA 2 54 VAL MG2 1.800 . 6.000 3.724 2.558 4.322 . 0 0 "[ . 1 . 2]" 1
667 1 35 GLU H 1 35 GLU HA 1.800 . 2.900 2.864 2.842 2.891 . 0 0 "[ . 1 . 2]" 1
668 2 35 GLU H 2 35 GLU HA 1.800 . 2.900 2.864 2.841 2.891 . 0 0 "[ . 1 . 2]" 1
669 1 35 GLU H 1 35 GLU QB 1.800 . 2.900 2.307 2.087 2.454 . 0 0 "[ . 1 . 2]" 1
670 2 35 GLU H 2 35 GLU QB 1.800 . 2.900 2.305 2.074 2.458 . 0 0 "[ . 1 . 2]" 1
671 1 34 LYS H 1 35 GLU H 1.800 . 2.900 2.759 2.660 2.875 . 0 0 "[ . 1 . 2]" 1
672 2 34 LYS H 2 35 GLU H 1.800 . 2.900 2.762 2.655 2.881 . 0 0 "[ . 1 . 2]" 1
673 1 34 LYS HA 1 35 GLU H 1.800 . 4.200 3.565 3.546 3.598 . 0 0 "[ . 1 . 2]" 1
674 2 34 LYS HA 2 35 GLU H 1.800 . 4.200 3.565 3.541 3.599 . 0 0 "[ . 1 . 2]" 1
675 1 34 LYS QB 1 35 GLU H 1.800 . 3.500 2.586 2.345 3.533 0.033 19 0 "[ . 1 . 2]" 1
676 2 34 LYS QB 2 35 GLU H 1.800 . 3.500 2.586 2.356 3.535 0.035 19 0 "[ . 1 . 2]" 1
677 1 31 SER HA 1 35 GLU H 1.800 . 5.000 4.537 4.013 4.981 . 0 0 "[ . 1 . 2]" 1
678 2 31 SER HA 2 35 GLU H 1.800 . 5.000 4.533 4.005 4.983 . 0 0 "[ . 1 . 2]" 1
679 1 32 GLU HA 1 35 GLU H 1.800 . 4.200 3.483 3.275 3.713 . 0 0 "[ . 1 . 2]" 1
680 2 32 GLU HA 2 35 GLU H 1.800 . 4.200 3.483 3.289 3.718 . 0 0 "[ . 1 . 2]" 1
681 1 33 LEU H 1 35 GLU H 1.800 . 5.000 4.267 4.119 4.608 . 0 0 "[ . 1 . 2]" 1
682 2 33 LEU H 2 35 GLU H 1.800 . 5.000 4.269 4.127 4.616 . 0 0 "[ . 1 . 2]" 1
683 1 35 GLU HA 1 38 ASN QB 1.800 . 3.300 2.781 2.354 3.383 0.083 14 0 "[ . 1 . 2]" 1
684 2 35 GLU HA 2 38 ASN QB 1.800 . 3.300 2.783 2.353 3.380 0.080 14 0 "[ . 1 . 2]" 1
685 1 36 LEU H 1 36 LEU QB 1.800 . 2.900 2.243 2.120 2.408 . 0 0 "[ . 1 . 2]" 1
686 2 36 LEU H 2 36 LEU QB 1.800 . 2.900 2.244 2.115 2.417 . 0 0 "[ . 1 . 2]" 1
687 1 35 GLU H 1 36 LEU H 1.800 . 2.900 2.694 2.529 2.775 . 0 0 "[ . 1 . 2]" 1
688 2 35 GLU H 2 36 LEU H 1.800 . 2.900 2.695 2.527 2.786 . 0 0 "[ . 1 . 2]" 1
689 1 35 GLU HA 1 36 LEU H 1.800 . 3.500 3.553 3.517 3.582 0.082 8 0 "[ . 1 . 2]" 1
690 2 35 GLU HA 2 36 LEU H 1.800 . 3.500 3.553 3.520 3.591 0.091 8 0 "[ . 1 . 2]" 1
691 1 35 GLU QB 1 36 LEU H 1.800 . 2.900 2.583 2.423 2.692 . 0 0 "[ . 1 . 2]" 1
692 2 35 GLU QB 2 36 LEU H 1.800 . 2.900 2.585 2.464 2.688 . 0 0 "[ . 1 . 2]" 1
693 1 36 LEU QD 1 37 ILE HA 1.800 . 5.000 3.731 2.449 5.104 0.104 14 0 "[ . 1 . 2]" 1
694 2 36 LEU QD 2 37 ILE HA 1.800 . 5.000 3.733 2.443 5.100 0.100 14 0 "[ . 1 . 2]" 1
695 1 36 LEU QD 1 37 ILE QG 1.800 . 5.000 3.539 2.364 4.632 . 0 0 "[ . 1 . 2]" 1
696 2 36 LEU QD 2 37 ILE QG 1.800 . 5.000 3.530 2.351 4.591 . 0 0 "[ . 1 . 2]" 1
697 1 36 LEU QD 1 37 ILE MD 1.800 . 5.000 4.257 2.884 5.229 0.229 5 0 "[ . 1 . 2]" 1
698 2 36 LEU QD 2 37 ILE MD 1.800 . 5.000 4.252 2.852 5.224 0.224 5 0 "[ . 1 . 2]" 1
699 1 32 GLU HA 1 36 LEU H 1.800 . 5.000 4.121 3.757 4.793 . 0 0 "[ . 1 . 2]" 1
700 2 32 GLU HA 2 36 LEU H 1.800 . 5.000 4.117 3.758 4.791 . 0 0 "[ . 1 . 2]" 1
701 1 33 LEU HA 1 36 LEU H 1.800 . 4.200 3.502 3.169 3.761 . 0 0 "[ . 1 . 2]" 1
702 2 33 LEU HA 2 36 LEU H 1.800 . 4.200 3.500 3.191 3.778 . 0 0 "[ . 1 . 2]" 1
703 1 34 LYS H 1 36 LEU H 1.800 . 5.000 4.223 3.970 4.416 . 0 0 "[ . 1 . 2]" 1
704 2 34 LYS H 2 36 LEU H 1.800 . 5.000 4.223 3.962 4.405 . 0 0 "[ . 1 . 2]" 1
705 1 18 TYR QB 1 36 LEU QD 1.800 . 5.000 3.311 2.239 4.162 . 0 0 "[ . 1 . 2]" 1
706 2 18 TYR QB 2 36 LEU QD 1.800 . 5.000 3.306 2.243 4.144 . 0 0 "[ . 1 . 2]" 1
707 1 18 TYR QD 1 36 LEU QD 1.800 . 5.000 3.200 2.272 3.950 . 0 0 "[ . 1 . 2]" 1
708 2 18 TYR QD 2 36 LEU QD 1.800 . 5.000 3.196 2.279 3.970 . 0 0 "[ . 1 . 2]" 1
709 1 18 TYR QE 1 36 LEU QD 1.800 . 6.000 3.417 2.641 4.662 . 0 0 "[ . 1 . 2]" 1
710 2 18 TYR QE 2 36 LEU QD 1.800 . 6.000 3.417 2.631 4.651 . 0 0 "[ . 1 . 2]" 1
711 1 28 LEU QD 1 36 LEU H 1.800 . 6.000 5.401 4.059 6.173 0.173 15 0 "[ . 1 . 2]" 1
712 2 28 LEU QD 2 36 LEU H 1.800 . 6.000 5.396 4.065 6.166 0.166 15 0 "[ . 1 . 2]" 1
713 1 28 LEU QD 1 36 LEU QD 1.800 . 5.000 2.882 1.999 3.743 . 0 0 "[ . 1 . 2]" 1
714 2 28 LEU QD 2 36 LEU QD 1.800 . 5.000 2.884 1.976 3.745 . 0 0 "[ . 1 . 2]" 1
715 1 36 LEU QD 1 41 LEU QD 1.800 . 4.200 2.872 2.058 4.015 . 0 0 "[ . 1 . 2]" 1
716 1 4 LEU QD 2 36 LEU QD 1.800 . 4.200 2.868 1.990 4.012 . 0 0 "[ . 1 . 2]" 1
717 1 37 ILE H 1 37 ILE HA 1.800 . 2.900 2.859 2.833 2.916 0.016 2 0 "[ . 1 . 2]" 1
718 2 37 ILE H 2 37 ILE HA 1.800 . 2.900 2.859 2.832 2.919 0.019 2 0 "[ . 1 . 2]" 1
719 1 37 ILE H 1 37 ILE HB 1.800 . 2.900 2.453 2.257 2.567 . 0 0 "[ . 1 . 2]" 1
720 2 37 ILE H 2 37 ILE HB 1.800 . 2.900 2.456 2.234 2.586 . 0 0 "[ . 1 . 2]" 1
721 1 37 ILE H 1 37 ILE QG 1.800 . 4.200 2.289 2.011 3.534 . 0 0 "[ . 1 . 2]" 1
722 2 37 ILE H 2 37 ILE QG 1.800 . 4.200 2.287 2.030 3.561 . 0 0 "[ . 1 . 2]" 1
723 1 37 ILE H 1 37 ILE MD 1.800 . 4.200 3.239 1.916 3.502 . 0 0 "[ . 1 . 2]" 1
724 2 37 ILE H 2 37 ILE MD 1.800 . 4.200 3.246 1.914 3.512 . 0 0 "[ . 1 . 2]" 1
725 1 36 LEU H 1 37 ILE H 1.800 . 2.900 2.796 2.697 2.937 0.037 11 0 "[ . 1 . 2]" 1
726 2 36 LEU H 2 37 ILE H 1.800 . 2.900 2.799 2.696 2.943 0.043 17 0 "[ . 1 . 2]" 1
727 1 36 LEU QB 1 37 ILE H 1.800 . 2.900 2.481 2.370 2.669 . 0 0 "[ . 1 . 2]" 1
728 2 36 LEU QB 2 37 ILE H 1.800 . 2.900 2.479 2.370 2.667 . 0 0 "[ . 1 . 2]" 1
729 1 36 LEU QD 1 37 ILE H 1.800 . 5.000 3.569 2.687 4.168 . 0 0 "[ . 1 . 2]" 1
730 2 36 LEU QD 2 37 ILE H 1.800 . 5.000 3.564 2.693 4.169 . 0 0 "[ . 1 . 2]" 1
731 1 37 ILE MG 1 38 ASN HA 1.800 . 4.200 3.361 3.085 3.566 . 0 0 "[ . 1 . 2]" 1
732 2 37 ILE MG 2 38 ASN HA 1.800 . 4.200 3.358 3.058 3.560 . 0 0 "[ . 1 . 2]" 1
733 1 33 LEU HA 1 37 ILE H 1.800 . 5.000 4.241 3.557 4.781 . 0 0 "[ . 1 . 2]" 1
734 2 33 LEU HA 2 37 ILE H 1.800 . 5.000 4.238 3.560 4.777 . 0 0 "[ . 1 . 2]" 1
735 1 33 LEU HG 1 37 ILE MD 1.800 . 5.000 3.534 2.139 5.016 0.016 3 0 "[ . 1 . 2]" 1
736 2 33 LEU HG 2 37 ILE MD 1.800 . 5.000 3.529 2.108 5.011 0.011 3 0 "[ . 1 . 2]" 1
737 1 34 LYS HA 1 37 ILE H 1.800 . 4.200 3.687 3.386 3.960 . 0 0 "[ . 1 . 2]" 1
738 2 34 LYS HA 2 37 ILE H 1.800 . 4.200 3.685 3.369 3.968 . 0 0 "[ . 1 . 2]" 1
739 1 35 GLU H 1 37 ILE H 1.800 . 5.000 4.348 4.156 4.495 . 0 0 "[ . 1 . 2]" 1
740 2 35 GLU H 2 37 ILE H 1.800 . 5.000 4.352 4.169 4.556 . 0 0 "[ . 1 . 2]" 1
741 1 35 GLU HA 1 37 ILE H 1.800 . 5.000 4.503 4.279 4.740 . 0 0 "[ . 1 . 2]" 1
742 2 35 GLU HA 2 37 ILE H 1.800 . 5.000 4.504 4.277 4.747 . 0 0 "[ . 1 . 2]" 1
743 1 37 ILE HA 1 41 LEU QB 1.800 . 5.000 2.887 2.241 4.071 . 0 0 "[ . 1 . 2]" 1
744 2 37 ILE HA 2 41 LEU QB 1.800 . 5.000 2.892 2.241 4.074 . 0 0 "[ . 1 . 2]" 1
745 1 37 ILE MG 1 41 LEU QB 1.800 . 5.000 2.872 2.251 3.700 . 0 0 "[ . 1 . 2]" 1
746 2 37 ILE MG 2 41 LEU QB 1.800 . 5.000 2.865 2.247 3.675 . 0 0 "[ . 1 . 2]" 1
747 1 37 ILE MD 1 54 VAL MG2 1.800 . 5.000 3.755 2.858 5.036 0.036 13 0 "[ . 1 . 2]" 1
748 2 37 ILE MD 2 54 VAL MG2 1.800 . 5.000 3.734 2.813 5.060 0.060 13 0 "[ . 1 . 2]" 1
749 1 37 ILE HA 1 41 LEU QD 1.800 . 4.200 3.313 2.075 4.192 . 0 0 "[ . 1 . 2]" 1
750 1 4 LEU QD 2 37 ILE HA 1.800 . 4.200 3.317 2.082 4.174 . 0 0 "[ . 1 . 2]" 1
751 1 37 ILE MD 1 53 VAL MG1 1.800 . 5.000 3.906 3.081 5.200 0.200 13 0 "[ . 1 . 2]" 1
752 2 37 ILE MD 2 53 VAL MG1 1.800 . 5.000 3.909 3.170 5.228 0.228 13 0 "[ . 1 . 2]" 1
753 1 38 ASN H 1 38 ASN HA 1.800 . 2.900 2.862 2.818 2.917 0.017 5 0 "[ . 1 . 2]" 1
754 2 38 ASN H 2 38 ASN HA 1.800 . 2.900 2.862 2.819 2.917 0.017 5 0 "[ . 1 . 2]" 1
755 1 38 ASN H 1 38 ASN QB 1.800 . 2.900 2.315 2.246 2.439 . 0 0 "[ . 1 . 2]" 1
756 2 38 ASN H 2 38 ASN QB 1.800 . 2.900 2.316 2.252 2.434 . 0 0 "[ . 1 . 2]" 1
757 1 37 ILE H 1 38 ASN H 1.800 . 2.900 2.732 2.512 2.940 0.040 14 0 "[ . 1 . 2]" 1
758 2 37 ILE H 2 38 ASN H 1.800 . 2.900 2.731 2.499 2.944 0.044 14 0 "[ . 1 . 2]" 1
759 1 37 ILE HA 1 38 ASN H 1.800 . 4.200 3.562 3.527 3.612 . 0 0 "[ . 1 . 2]" 1
760 2 37 ILE HA 2 38 ASN H 1.800 . 4.200 3.561 3.521 3.617 . 0 0 "[ . 1 . 2]" 1
761 1 37 ILE HB 1 38 ASN H 1.800 . 2.900 2.643 2.389 2.917 0.017 2 0 "[ . 1 . 2]" 1
762 2 37 ILE HB 2 38 ASN H 1.800 . 2.900 2.650 2.402 2.947 0.047 11 0 "[ . 1 . 2]" 1
763 1 37 ILE MG 1 38 ASN H 1.800 . 3.500 3.329 2.943 3.517 0.017 13 0 "[ . 1 . 2]" 1
764 2 37 ILE MG 2 38 ASN H 1.800 . 3.500 3.336 2.905 3.528 0.028 13 0 "[ . 1 . 2]" 1
765 1 34 LYS HA 1 38 ASN H 1.800 . 5.000 4.371 3.795 4.840 . 0 0 "[ . 1 . 2]" 1
766 2 34 LYS HA 2 38 ASN H 1.800 . 5.000 4.372 3.805 4.840 . 0 0 "[ . 1 . 2]" 1
767 1 34 LYS QG 1 38 ASN H 1.800 . 6.000 4.509 3.914 5.970 . 0 0 "[ . 1 . 2]" 1
768 2 34 LYS QG 2 38 ASN H 1.800 . 6.000 4.514 3.921 5.966 . 0 0 "[ . 1 . 2]" 1
769 1 35 GLU HA 1 38 ASN H 1.800 . 4.200 3.497 3.257 3.744 . 0 0 "[ . 1 . 2]" 1
770 2 35 GLU HA 2 38 ASN H 1.800 . 4.200 3.494 3.256 3.735 . 0 0 "[ . 1 . 2]" 1
771 1 36 LEU H 1 38 ASN H 1.800 . 5.000 4.258 4.000 4.647 . 0 0 "[ . 1 . 2]" 1
772 2 36 LEU H 2 38 ASN H 1.800 . 5.000 4.255 3.995 4.636 . 0 0 "[ . 1 . 2]" 1
773 1 36 LEU HA 1 38 ASN H 1.800 . 5.000 4.529 4.426 4.732 . 0 0 "[ . 1 . 2]" 1
774 2 36 LEU HA 2 38 ASN H 1.800 . 5.000 4.524 4.421 4.711 . 0 0 "[ . 1 . 2]" 1
775 1 39 ASN H 1 39 ASN QB 1.800 . 2.900 2.417 2.220 2.956 0.056 7 0 "[ . 1 . 2]" 1
776 2 39 ASN H 2 39 ASN QB 1.800 . 2.900 2.414 2.224 2.926 0.026 7 0 "[ . 1 . 2]" 1
777 1 38 ASN H 1 39 ASN H 1.800 . 2.900 2.757 2.497 3.211 0.311 2 0 "[ . 1 . 2]" 1
778 2 38 ASN H 2 39 ASN H 1.800 . 2.900 2.752 2.499 3.199 0.299 2 0 "[ . 1 . 2]" 1
779 1 38 ASN HA 1 39 ASN H 1.800 . 4.200 3.545 3.428 3.605 . 0 0 "[ . 1 . 2]" 1
780 2 38 ASN HA 2 39 ASN H 1.800 . 4.200 3.543 3.429 3.605 . 0 0 "[ . 1 . 2]" 1
781 1 38 ASN QB 1 39 ASN H 1.800 . 2.900 2.617 1.874 3.072 0.172 4 0 "[ . 1 . 2]" 1
782 2 38 ASN QB 2 39 ASN H 1.800 . 2.900 2.619 1.891 3.079 0.179 4 0 "[ . 1 . 2]" 1
783 1 35 GLU HA 1 39 ASN H 1.800 . 5.000 4.175 3.414 4.587 . 0 0 "[ . 1 . 2]" 1
784 2 35 GLU HA 2 39 ASN H 1.800 . 5.000 4.178 3.419 4.601 . 0 0 "[ . 1 . 2]" 1
785 1 36 LEU HA 1 39 ASN H 1.800 . 5.000 3.709 3.374 4.643 . 0 0 "[ . 1 . 2]" 1
786 2 36 LEU HA 2 39 ASN H 1.800 . 5.000 3.711 3.394 4.636 . 0 0 "[ . 1 . 2]" 1
787 1 37 ILE HA 1 39 ASN H 1.800 . 6.000 4.485 3.911 5.339 . 0 0 "[ . 1 . 2]" 1
788 2 37 ILE HA 2 39 ASN H 1.800 . 6.000 4.481 3.912 5.353 . 0 0 "[ . 1 . 2]" 1
789 1 40 GLU H 1 40 GLU QB 1.800 . 3.500 2.645 2.238 3.377 . 0 0 "[ . 1 . 2]" 1
790 2 40 GLU H 2 40 GLU QB 1.800 . 3.500 2.646 2.234 3.377 . 0 0 "[ . 1 . 2]" 1
791 1 39 ASN H 1 40 GLU H 1.800 . 5.000 2.977 2.441 3.747 . 0 0 "[ . 1 . 2]" 1
792 2 39 ASN H 2 40 GLU H 1.800 . 5.000 2.978 2.465 3.741 . 0 0 "[ . 1 . 2]" 1
793 1 39 ASN HA 1 40 GLU H 1.800 . 4.200 3.561 3.443 3.630 . 0 0 "[ . 1 . 2]" 1
794 2 39 ASN HA 2 40 GLU H 1.800 . 4.200 3.560 3.441 3.631 . 0 0 "[ . 1 . 2]" 1
795 1 39 ASN QB 1 40 GLU H 1.800 . 4.200 2.491 1.774 3.697 0.026 18 0 "[ . 1 . 2]" 1
796 2 39 ASN QB 2 40 GLU H 1.800 . 4.200 2.491 1.774 3.700 0.026 18 0 "[ . 1 . 2]" 1
797 1 36 LEU QD 1 40 GLU H 1.800 . 6.000 4.200 2.819 5.019 . 0 0 "[ . 1 . 2]" 1
798 2 36 LEU QD 2 40 GLU H 1.800 . 6.000 4.204 2.825 5.018 . 0 0 "[ . 1 . 2]" 1
799 1 2 SER QB 2 40 GLU HA 1.800 . 5.000 4.438 2.948 5.225 0.225 16 0 "[ . 1 . 2]" 1
800 1 40 GLU HA 2 2 SER QB 1.800 . 5.000 4.438 2.928 5.202 0.202 16 0 "[ . 1 . 2]" 1
801 1 41 LEU H 1 41 LEU QB 1.800 . 2.900 2.494 2.148 3.240 0.340 13 0 "[ . 1 . 2]" 1
802 2 41 LEU H 2 41 LEU QB 1.800 . 2.900 2.498 2.147 3.244 0.344 13 0 "[ . 1 . 2]" 1
803 1 40 GLU HA 1 41 LEU H 1.800 . 5.000 3.256 2.331 3.583 . 0 0 "[ . 1 . 2]" 1
804 2 40 GLU HA 2 41 LEU H 1.800 . 5.000 3.256 2.326 3.588 . 0 0 "[ . 1 . 2]" 1
805 1 37 ILE HA 1 41 LEU H 1.800 . 5.000 3.830 2.569 5.296 0.296 13 0 "[ . 1 . 2]" 1
806 2 37 ILE HA 2 41 LEU H 1.800 . 5.000 3.831 2.560 5.283 0.283 14 0 "[ . 1 . 2]" 1
807 1 41 LEU QD 1 81 VAL MG1 1.800 . 5.000 3.465 2.487 4.788 . 0 0 "[ . 1 . 2]" 1
808 2 41 LEU QD 2 81 VAL MG1 1.800 . 5.000 3.458 2.481 4.770 . 0 0 "[ . 1 . 2]" 1
809 1 8 MET ME 2 41 LEU QD 1.800 . 4.200 3.183 2.151 4.267 0.067 8 0 "[ . 1 . 2]" 1
810 1 41 LEU QD 2 8 MET ME 1.800 . 4.200 3.213 2.168 4.319 0.119 8 0 "[ . 1 . 2]" 1
811 1 42 SER H 1 42 SER QB 1.800 . 3.500 2.681 2.323 3.211 . 0 0 "[ . 1 . 2]" 1
812 2 42 SER H 2 42 SER QB 1.800 . 3.500 2.688 2.308 3.180 . 0 0 "[ . 1 . 2]" 1
813 1 41 LEU H 1 42 SER H 1.800 . 5.000 3.578 2.024 4.657 . 0 0 "[ . 1 . 2]" 1
814 2 41 LEU H 2 42 SER H 1.800 . 5.000 3.578 2.039 4.662 . 0 0 "[ . 1 . 2]" 1
815 1 41 LEU HA 1 42 SER H 1.800 . 3.500 2.632 2.159 3.353 . 0 0 "[ . 1 . 2]" 1
816 2 41 LEU HA 2 42 SER H 1.800 . 3.500 2.634 2.154 3.357 . 0 0 "[ . 1 . 2]" 1
817 1 41 LEU QB 1 42 SER H 1.800 . 5.000 3.517 2.904 3.934 . 0 0 "[ . 1 . 2]" 1
818 2 41 LEU QB 2 42 SER H 1.800 . 5.000 3.516 2.934 3.938 . 0 0 "[ . 1 . 2]" 1
819 1 40 GLU HA 1 42 SER H 1.800 . 6.000 4.541 3.024 6.246 0.246 8 0 "[ . 1 . 2]" 1
820 2 40 GLU HA 2 42 SER H 1.800 . 6.000 4.542 3.022 6.250 0.250 8 0 "[ . 1 . 2]" 1
821 1 43 HIS H 1 43 HIS QB 1.800 . 2.900 2.394 2.185 2.864 . 0 0 "[ . 1 . 2]" 1
822 2 43 HIS H 2 43 HIS QB 1.800 . 2.900 2.395 2.195 2.861 . 0 0 "[ . 1 . 2]" 1
823 1 42 SER H 1 43 HIS H 1.800 . 4.200 2.337 1.560 2.800 0.240 12 0 "[ . 1 . 2]" 1
824 2 42 SER H 2 43 HIS H 1.800 . 4.200 2.336 1.551 2.803 0.249 12 0 "[ . 1 . 2]" 1
825 1 42 SER HA 1 43 HIS H 1.800 . 5.000 3.525 3.129 3.600 . 0 0 "[ . 1 . 2]" 1
826 2 42 SER HA 2 43 HIS H 1.800 . 5.000 3.524 3.132 3.598 . 0 0 "[ . 1 . 2]" 1
827 1 42 SER QB 1 43 HIS H 1.800 . 5.000 3.176 2.412 3.995 . 0 0 "[ . 1 . 2]" 1
828 2 42 SER QB 2 43 HIS H 1.800 . 5.000 3.174 2.410 3.996 . 0 0 "[ . 1 . 2]" 1
829 1 41 LEU HA 1 43 HIS H 1.800 . 5.000 3.901 3.132 4.477 . 0 0 "[ . 1 . 2]" 1
830 2 41 LEU HA 2 43 HIS H 1.800 . 5.000 3.898 3.131 4.475 . 0 0 "[ . 1 . 2]" 1
831 1 44 PHE H 1 44 PHE QB 1.800 . 2.900 2.290 2.083 2.402 . 0 0 "[ . 1 . 2]" 1
832 2 44 PHE H 2 44 PHE QB 1.800 . 2.900 2.293 2.091 2.413 . 0 0 "[ . 1 . 2]" 1
833 1 44 PHE H 1 44 PHE QD 1.800 . 5.000 2.672 2.001 4.190 . 0 0 "[ . 1 . 2]" 1
834 2 44 PHE H 2 44 PHE QD 1.800 . 5.000 2.669 1.997 4.201 . 0 0 "[ . 1 . 2]" 1
835 1 43 HIS H 1 44 PHE H 1.800 . 2.900 2.554 1.749 2.833 0.051 19 0 "[ . 1 . 2]" 1
836 2 43 HIS H 2 44 PHE H 1.800 . 2.900 2.553 1.753 2.817 0.047 19 0 "[ . 1 . 2]" 1
837 1 44 PHE H 1 45 LEU H 1.800 . 2.900 2.697 2.571 2.827 . 0 0 "[ . 1 . 2]" 1
838 2 44 PHE H 2 45 LEU H 1.800 . 2.900 2.698 2.567 2.829 . 0 0 "[ . 1 . 2]" 1
839 1 41 LEU QB 1 44 PHE QD 1.800 . 6.000 4.534 3.126 5.949 . 0 0 "[ . 1 . 2]" 1
840 2 41 LEU QB 2 44 PHE QD 1.800 . 6.000 4.527 3.162 5.940 . 0 0 "[ . 1 . 2]" 1
841 1 41 LEU QD 1 44 PHE H 1.800 . 5.000 4.196 2.902 5.155 0.155 18 0 "[ . 1 . 2]" 1
842 2 41 LEU QD 2 44 PHE H 1.800 . 5.000 4.201 2.927 5.145 0.145 18 0 "[ . 1 . 2]" 1
843 1 41 LEU QD 1 44 PHE QB 1.800 . 5.000 2.981 2.132 4.384 . 0 0 "[ . 1 . 2]" 1
844 2 41 LEU QD 2 44 PHE QB 1.800 . 5.000 2.985 2.132 4.371 . 0 0 "[ . 1 . 2]" 1
845 1 44 PHE QB 1 81 VAL MG1 1.800 . 5.000 4.071 2.730 5.294 0.294 7 0 "[ . 1 . 2]" 1
846 2 44 PHE QB 2 81 VAL MG1 1.800 . 5.000 4.069 2.740 5.273 0.273 7 0 "[ . 1 . 2]" 1
847 1 8 MET ME 2 44 PHE QD 1.800 . 6.000 4.673 3.136 6.125 0.125 11 0 "[ . 1 . 2]" 1
848 1 44 PHE QD 2 8 MET ME 1.800 . 6.000 4.682 3.098 6.151 0.151 15 0 "[ . 1 . 2]" 1
849 1 45 LEU H 1 45 LEU QB 1.800 . 2.900 2.529 2.245 3.108 0.208 3 0 "[ . 1 . 2]" 1
850 2 45 LEU H 2 45 LEU QB 1.800 . 2.900 2.523 2.253 3.105 0.205 3 0 "[ . 1 . 2]" 1
851 1 44 PHE HA 1 45 LEU H 1.800 . 5.000 3.565 3.546 3.598 . 0 0 "[ . 1 . 2]" 1
852 2 44 PHE HA 2 45 LEU H 1.800 . 5.000 3.565 3.545 3.600 . 0 0 "[ . 1 . 2]" 1
853 1 44 PHE QB 1 45 LEU H 1.800 . 5.000 2.586 2.191 2.733 . 0 0 "[ . 1 . 2]" 1
854 2 44 PHE QB 2 45 LEU H 1.800 . 5.000 2.587 2.198 2.734 . 0 0 "[ . 1 . 2]" 1
855 1 44 PHE QD 1 45 LEU H 1.800 . 6.000 4.222 3.631 4.640 . 0 0 "[ . 1 . 2]" 1
856 2 44 PHE QD 2 45 LEU H 1.800 . 6.000 4.223 3.639 4.642 . 0 0 "[ . 1 . 2]" 1
857 1 42 SER HA 1 45 LEU H 1.800 . 6.000 3.973 3.128 6.141 0.141 19 0 "[ . 1 . 2]" 1
858 2 42 SER HA 2 45 LEU H 1.800 . 6.000 3.969 3.131 6.148 0.148 19 0 "[ . 1 . 2]" 1
859 1 43 HIS H 1 45 LEU H 1.800 . 5.000 4.189 3.951 4.524 . 0 0 "[ . 1 . 2]" 1
860 2 43 HIS H 2 45 LEU H 1.800 . 5.000 4.187 3.951 4.527 . 0 0 "[ . 1 . 2]" 1
861 1 37 ILE MG 1 45 LEU QD 1.800 . 3.300 2.960 2.183 3.654 0.354 15 0 "[ . 1 . 2]" 1
862 2 37 ILE MG 2 45 LEU QD 1.800 . 3.300 2.956 2.244 3.652 0.352 15 0 "[ . 1 . 2]" 1
863 1 37 ILE MG 1 45 LEU QB 1.800 . 5.000 3.341 2.302 5.026 0.026 3 0 "[ . 1 . 2]" 1
864 2 37 ILE MG 2 45 LEU QB 1.800 . 5.000 3.341 2.285 5.033 0.033 3 0 "[ . 1 . 2]" 1
865 1 37 ILE MD 1 45 LEU QD 1.800 . 5.000 3.660 2.364 4.553 . 0 0 "[ . 1 . 2]" 1
866 2 37 ILE MD 2 45 LEU QD 1.800 . 5.000 3.651 2.379 4.565 . 0 0 "[ . 1 . 2]" 1
867 1 45 LEU QD 1 81 VAL MG1 1.800 . 5.000 3.732 2.019 4.914 . 0 0 "[ . 1 . 2]" 1
868 2 45 LEU QD 2 81 VAL MG1 1.800 . 5.000 3.725 2.004 4.924 . 0 0 "[ . 1 . 2]" 1
869 1 45 LEU QD 1 81 VAL MG2 1.800 . 4.200 3.327 2.432 4.462 0.262 3 0 "[ . 1 . 2]" 1
870 2 45 LEU QD 2 81 VAL MG2 1.800 . 4.200 3.327 2.412 4.441 0.241 3 0 "[ . 1 . 2]" 1
871 1 46 GLU H 1 46 GLU HA 1.800 . 2.900 2.788 2.326 3.003 0.103 1 0 "[ . 1 . 2]" 1
872 2 46 GLU H 2 46 GLU HA 1.800 . 2.900 2.789 2.324 3.004 0.104 15 0 "[ . 1 . 2]" 1
873 1 46 GLU H 1 46 GLU QB 1.800 . 2.900 2.761 2.239 3.296 0.396 11 0 "[ . 1 . 2]" 1
874 2 46 GLU H 2 46 GLU QB 1.800 . 2.900 2.761 2.239 3.291 0.391 11 0 "[ . 1 . 2]" 1
875 1 45 LEU H 1 46 GLU H 1.800 . 5.000 4.028 2.498 4.615 . 0 0 "[ . 1 . 2]" 1
876 2 45 LEU H 2 46 GLU H 1.800 . 5.000 4.025 2.500 4.616 . 0 0 "[ . 1 . 2]" 1
877 1 45 LEU QB 1 46 GLU H 1.800 . 3.500 3.041 1.853 3.687 0.187 7 0 "[ . 1 . 2]" 1
878 2 45 LEU QB 2 46 GLU H 1.800 . 3.500 3.048 1.848 3.688 0.188 7 0 "[ . 1 . 2]" 1
879 1 45 LEU QD 1 46 GLU H 1.800 . 4.200 3.441 2.112 4.278 0.078 13 0 "[ . 1 . 2]" 1
880 2 45 LEU QD 2 46 GLU H 1.800 . 4.200 3.446 2.154 4.279 0.079 13 0 "[ . 1 . 2]" 1
881 1 47 GLU H 1 47 GLU HA 1.800 . 2.900 2.842 2.358 2.992 0.092 13 0 "[ . 1 . 2]" 1
882 2 47 GLU H 2 47 GLU HA 1.800 . 2.900 2.842 2.358 2.991 0.091 13 0 "[ . 1 . 2]" 1
883 1 47 GLU H 1 47 GLU QB 1.800 . 3.500 2.634 2.196 3.320 . 0 0 "[ . 1 . 2]" 1
884 2 47 GLU H 2 47 GLU QB 1.800 . 3.500 2.637 2.189 3.327 . 0 0 "[ . 1 . 2]" 1
885 1 46 GLU H 1 47 GLU H 1.800 . 5.000 2.982 1.734 4.694 0.066 4 0 "[ . 1 . 2]" 1
886 2 46 GLU H 2 47 GLU H 1.800 . 5.000 2.990 1.740 4.694 0.060 4 0 "[ . 1 . 2]" 1
887 1 48 ILE HA 1 48 ILE MG 1.800 . 3.300 2.328 2.247 2.508 . 0 0 "[ . 1 . 2]" 1
888 2 48 ILE HA 2 48 ILE MG 1.800 . 3.300 2.330 2.242 2.486 . 0 0 "[ . 1 . 2]" 1
889 1 48 ILE MG 1 53 VAL HB 1.800 . 5.000 3.303 2.175 4.583 . 0 0 "[ . 1 . 2]" 1
890 2 48 ILE MG 2 53 VAL HB 1.800 . 5.000 3.298 2.175 4.587 . 0 0 "[ . 1 . 2]" 1
891 1 34 LYS QG 1 48 ILE MG 1.800 . 5.000 3.862 2.426 5.323 0.323 7 0 "[ . 1 . 2]" 1
892 2 34 LYS QG 2 48 ILE MG 1.800 . 5.000 3.863 2.423 5.333 0.333 7 0 "[ . 1 . 2]" 1
893 1 37 ILE MG 1 48 ILE MD 1.800 . 3.300 2.583 2.041 3.492 0.192 9 0 "[ . 1 . 2]" 1
894 2 37 ILE MG 2 48 ILE MD 1.800 . 3.300 2.582 2.045 3.496 0.196 9 0 "[ . 1 . 2]" 1
895 1 48 ILE MG 1 54 VAL HB 1.800 . 5.000 4.471 3.960 5.197 0.197 1 0 "[ . 1 . 2]" 1
896 2 48 ILE MG 2 54 VAL HB 1.800 . 5.000 4.461 3.974 5.169 0.169 1 0 "[ . 1 . 2]" 1
897 1 48 ILE MG 1 54 VAL MG2 1.800 . 3.300 2.225 1.876 2.794 . 0 0 "[ . 1 . 2]" 1
898 2 48 ILE MG 2 54 VAL MG2 1.800 . 3.300 2.222 1.870 2.787 . 0 0 "[ . 1 . 2]" 1
899 1 48 ILE MD 1 54 VAL MG2 1.800 . 5.000 2.672 2.175 3.300 . 0 0 "[ . 1 . 2]" 1
900 2 48 ILE MD 2 54 VAL MG2 1.800 . 5.000 2.670 2.161 3.291 . 0 0 "[ . 1 . 2]" 1
901 1 48 ILE MD 1 57 VAL MG1 1.800 . 5.000 4.412 3.523 5.098 0.098 3 0 "[ . 1 . 2]" 1
902 2 48 ILE MD 2 57 VAL MG1 1.800 . 5.000 4.412 3.530 5.095 0.095 3 0 "[ . 1 . 2]" 1
903 1 48 ILE MD 1 57 VAL MG2 1.800 . 4.200 3.854 3.042 4.302 0.102 3 0 "[ . 1 . 2]" 1
904 2 48 ILE MD 2 57 VAL MG2 1.800 . 4.200 3.850 3.042 4.278 0.078 3 0 "[ . 1 . 2]" 1
905 1 48 ILE HA 1 53 VAL MG1 1.800 . 5.000 3.260 2.326 4.829 . 0 0 "[ . 1 . 2]" 1
906 2 48 ILE HA 2 53 VAL MG1 1.800 . 5.000 3.262 2.314 4.833 . 0 0 "[ . 1 . 2]" 1
907 1 48 ILE MG 1 53 VAL MG1 1.800 . 4.200 3.160 2.381 3.693 . 0 0 "[ . 1 . 2]" 1
908 2 48 ILE MG 2 53 VAL MG1 1.800 . 4.100 3.165 2.368 3.707 . 0 0 "[ . 1 . 2]" 1
909 1 48 ILE MD 1 53 VAL MG1 1.800 . 4.200 3.115 2.177 3.999 . 0 0 "[ . 1 . 2]" 1
910 2 48 ILE MD 2 53 VAL MG1 1.800 . 4.200 3.126 2.205 4.021 . 0 0 "[ . 1 . 2]" 1
911 1 49 LYS H 1 49 LYS QB 1.800 . 3.500 2.641 2.339 3.394 . 0 0 "[ . 1 . 2]" 1
912 2 49 LYS H 2 49 LYS QB 1.800 . 3.500 2.644 2.343 3.392 . 0 0 "[ . 1 . 2]" 1
913 1 48 ILE HA 1 49 LYS H 1.800 . 2.900 2.246 2.169 2.610 . 0 0 "[ . 1 . 2]" 1
914 2 48 ILE HA 2 49 LYS H 1.800 . 2.900 2.247 2.175 2.613 . 0 0 "[ . 1 . 2]" 1
915 1 48 ILE MG 1 49 LYS H 1.800 . 4.200 3.068 2.586 3.988 . 0 0 "[ . 1 . 2]" 1
916 2 48 ILE MG 2 49 LYS H 1.800 . 4.200 3.066 2.620 3.994 . 0 0 "[ . 1 . 2]" 1
917 1 50 GLU H 1 50 GLU QB 1.800 . 2.900 2.471 2.334 2.981 0.081 14 0 "[ . 1 . 2]" 1
918 2 50 GLU H 2 50 GLU QB 1.800 . 2.900 2.471 2.335 2.981 0.081 14 0 "[ . 1 . 2]" 1
919 1 49 LYS H 1 50 GLU H 1.800 . 4.200 2.095 1.656 2.847 0.144 3 0 "[ . 1 . 2]" 1
920 2 49 LYS H 2 50 GLU H 1.800 . 4.200 2.091 1.663 2.844 0.137 3 0 "[ . 1 . 2]" 1
921 1 49 LYS HA 1 50 GLU H 1.800 . 5.000 3.515 3.360 3.596 . 0 0 "[ . 1 . 2]" 1
922 2 49 LYS HA 2 50 GLU H 1.800 . 5.000 3.514 3.360 3.594 . 0 0 "[ . 1 . 2]" 1
923 1 49 LYS QB 1 50 GLU H 1.800 . 4.200 2.765 1.809 3.800 . 0 0 "[ . 1 . 2]" 1
924 2 49 LYS QB 2 50 GLU H 1.800 . 4.200 2.761 1.814 3.799 . 0 0 "[ . 1 . 2]" 1
925 1 49 LYS QG 1 50 GLU H 1.800 . 5.000 3.759 1.771 4.513 0.029 1 0 "[ . 1 . 2]" 1
926 2 49 LYS QG 2 50 GLU H 1.800 . 5.000 3.759 1.759 4.515 0.041 1 0 "[ . 1 . 2]" 1
927 1 48 ILE HA 1 50 GLU H 1.800 . 5.000 3.836 3.231 4.732 . 0 0 "[ . 1 . 2]" 1
928 2 48 ILE HA 2 50 GLU H 1.800 . 5.000 3.841 3.229 4.733 . 0 0 "[ . 1 . 2]" 1
929 1 48 ILE MG 1 50 GLU H 1.800 . 5.000 3.676 2.174 4.580 . 0 0 "[ . 1 . 2]" 1
930 2 48 ILE MG 2 50 GLU H 1.800 . 5.000 3.677 2.164 4.612 . 0 0 "[ . 1 . 2]" 1
931 1 50 GLU H 1 53 VAL MG2 1.800 . 4.200 3.166 2.383 3.947 . 0 0 "[ . 1 . 2]" 1
932 2 50 GLU H 2 53 VAL MG2 1.800 . 4.200 3.166 2.333 3.995 . 0 0 "[ . 1 . 2]" 1
933 1 50 GLU H 1 53 VAL MG1 1.800 . 5.000 4.485 3.636 5.211 0.211 14 0 "[ . 1 . 2]" 1
934 2 50 GLU H 2 53 VAL MG1 1.800 . 5.000 4.488 3.655 5.203 0.203 14 0 "[ . 1 . 2]" 1
935 1 48 ILE MG 1 51 GLN HA 1.800 . 5.000 4.281 3.384 5.111 0.111 3 0 "[ . 1 . 2]" 1
936 2 48 ILE MG 2 51 GLN HA 1.800 . 5.000 4.279 3.402 5.099 0.099 3 0 "[ . 1 . 2]" 1
937 1 51 GLN HA 1 54 VAL HB 1.800 . 3.300 3.099 2.584 3.443 0.143 2 0 "[ . 1 . 2]" 1
938 2 51 GLN HA 2 54 VAL HB 1.800 . 3.300 3.094 2.588 3.410 0.110 2 0 "[ . 1 . 2]" 1
939 1 51 GLN HA 1 54 VAL MG1 1.800 . 5.000 4.444 4.058 4.736 . 0 0 "[ . 1 . 2]" 1
940 2 51 GLN HA 2 54 VAL MG1 1.800 . 5.000 4.448 4.067 4.734 . 0 0 "[ . 1 . 2]" 1
941 1 51 GLN HA 1 54 VAL MG2 1.800 . 3.300 3.041 2.799 3.388 0.088 3 0 "[ . 1 . 2]" 1
942 2 51 GLN HA 2 54 VAL MG2 1.800 . 3.300 3.059 2.816 3.415 0.115 3 0 "[ . 1 . 2]" 1
943 1 52 GLU H 1 52 GLU HA 1.800 . 2.900 2.838 2.806 2.848 . 0 0 "[ . 1 . 2]" 1
944 2 52 GLU H 2 52 GLU HA 1.800 . 2.900 2.838 2.807 2.853 . 0 0 "[ . 1 . 2]" 1
945 1 52 GLU H 1 52 GLU QB 1.800 . 2.900 2.394 2.262 2.721 . 0 0 "[ . 1 . 2]" 1
946 2 52 GLU H 2 52 GLU QB 1.800 . 2.900 2.394 2.261 2.712 . 0 0 "[ . 1 . 2]" 1
947 1 51 GLN HA 1 52 GLU H 1.800 . 3.500 3.505 3.440 3.575 0.075 7 0 "[ . 1 . 2]" 1
948 2 51 GLN HA 2 52 GLU H 1.800 . 3.500 3.503 3.438 3.574 0.074 7 0 "[ . 1 . 2]" 1
949 1 51 GLN QB 1 52 GLU H 1.800 . 3.500 2.932 2.536 3.662 0.162 17 0 "[ . 1 . 2]" 1
950 2 51 GLN QB 2 52 GLU H 1.800 . 3.500 2.931 2.541 3.681 0.181 17 0 "[ . 1 . 2]" 1
951 1 51 GLN QG 1 52 GLU H 1.800 . 5.000 3.942 2.142 4.624 . 0 0 "[ . 1 . 2]" 1
952 2 51 GLN QG 2 52 GLU H 1.800 . 5.000 3.944 2.211 4.620 . 0 0 "[ . 1 . 2]" 1
953 1 50 GLU QB 1 52 GLU H 1.800 . 5.000 2.620 2.436 3.143 . 0 0 "[ . 1 . 2]" 1
954 2 50 GLU QB 2 52 GLU H 1.800 . 5.000 2.619 2.398 3.176 . 0 0 "[ . 1 . 2]" 1
955 1 52 GLU HA 1 55 ASP QB 1.800 . 3.300 2.745 2.448 3.050 . 0 0 "[ . 1 . 2]" 1
956 2 52 GLU HA 2 55 ASP QB 1.800 . 3.300 2.747 2.448 3.044 . 0 0 "[ . 1 . 2]" 1
957 1 53 VAL H 1 53 VAL HA 1.800 . 2.900 2.849 2.832 2.875 . 0 0 "[ . 1 . 2]" 1
958 2 53 VAL H 2 53 VAL HA 1.800 . 2.900 2.849 2.832 2.876 . 0 0 "[ . 1 . 2]" 1
959 1 53 VAL H 1 53 VAL HB 1.800 . 2.900 2.440 2.394 2.539 . 0 0 "[ . 1 . 2]" 1
960 2 53 VAL H 2 53 VAL HB 1.800 . 2.900 2.441 2.404 2.517 . 0 0 "[ . 1 . 2]" 1
961 1 53 VAL H 1 53 VAL MG2 1.800 . 2.900 2.190 2.057 2.280 . 0 0 "[ . 1 . 2]" 1
962 2 53 VAL H 2 53 VAL MG2 1.800 . 2.900 2.201 2.115 2.336 . 0 0 "[ . 1 . 2]" 1
963 1 53 VAL HA 1 53 VAL MG1 1.800 . 2.700 2.409 2.375 2.429 . 0 0 "[ . 1 . 2]" 1
964 2 53 VAL HA 2 53 VAL MG1 1.800 . 2.700 2.408 2.360 2.436 . 0 0 "[ . 1 . 2]" 1
965 1 53 VAL HA 1 53 VAL MG2 1.800 . 2.700 2.320 2.252 2.396 . 0 0 "[ . 1 . 2]" 1
966 2 53 VAL HA 2 53 VAL MG2 1.800 . 2.700 2.312 2.246 2.381 . 0 0 "[ . 1 . 2]" 1
967 1 52 GLU H 1 53 VAL H 1.800 . 3.500 2.754 2.722 2.818 . 0 0 "[ . 1 . 2]" 1
968 2 52 GLU H 2 53 VAL H 1.800 . 3.500 2.752 2.710 2.816 . 0 0 "[ . 1 . 2]" 1
969 1 52 GLU HA 1 53 VAL H 1.800 . 3.500 3.554 3.535 3.575 0.075 15 0 "[ . 1 . 2]" 1
970 2 52 GLU HA 2 53 VAL H 1.800 . 3.500 3.553 3.537 3.575 0.075 15 0 "[ . 1 . 2]" 1
971 1 52 GLU QB 1 53 VAL H 1.800 . 3.500 2.726 2.537 3.520 0.020 1 0 "[ . 1 . 2]" 1
972 2 52 GLU QB 2 53 VAL H 1.800 . 3.500 2.727 2.535 3.518 0.018 1 0 "[ . 1 . 2]" 1
973 1 52 GLU QB 1 53 VAL MG2 1.800 . 5.000 3.403 3.186 4.316 . 0 0 "[ . 1 . 2]" 1
974 2 52 GLU QB 2 53 VAL MG2 1.800 . 5.000 3.414 3.196 4.313 . 0 0 "[ . 1 . 2]" 1
975 1 48 ILE HA 1 53 VAL MG1 1.800 . 5.000 3.271 2.327 4.876 . 0 0 "[ . 1 . 2]" 1
976 2 48 ILE HA 2 53 VAL MG1 1.800 . 5.000 3.273 2.315 4.881 . 0 0 "[ . 1 . 2]" 1
977 1 48 ILE MG 1 53 VAL H 1.800 . 6.000 4.927 3.703 6.117 0.117 9 0 "[ . 1 . 2]" 1
978 2 48 ILE MG 2 53 VAL H 1.800 . 6.000 4.923 3.717 6.121 0.121 9 0 "[ . 1 . 2]" 1
979 1 50 GLU QB 1 53 VAL H 1.800 . 5.000 2.850 2.495 3.154 . 0 0 "[ . 1 . 2]" 1
980 2 50 GLU QB 2 53 VAL H 1.800 . 5.000 2.844 2.487 3.154 . 0 0 "[ . 1 . 2]" 1
981 1 50 GLU QB 1 53 VAL MG2 1.800 . 3.300 2.524 2.080 3.338 0.038 14 0 "[ . 1 . 2]" 1
982 2 50 GLU QB 2 53 VAL MG2 1.800 . 3.300 2.514 2.059 3.348 0.048 14 0 "[ . 1 . 2]" 1
983 1 50 GLU QG 1 53 VAL MG2 1.800 . 4.200 3.868 1.937 4.339 0.139 6 0 "[ . 1 . 2]" 1
984 2 50 GLU QG 2 53 VAL MG2 1.800 . 4.200 3.858 1.943 4.316 0.116 6 0 "[ . 1 . 2]" 1
985 1 53 VAL HA 1 56 LYS QB 1.800 . 3.300 2.906 2.723 3.124 . 0 0 "[ . 1 . 2]" 1
986 2 53 VAL HA 2 56 LYS QB 1.800 . 3.300 2.910 2.726 3.116 . 0 0 "[ . 1 . 2]" 1
987 1 53 VAL MG1 1 57 VAL MG2 1.800 . 3.300 2.643 2.124 2.959 . 0 0 "[ . 1 . 2]" 1
988 2 53 VAL MG1 2 57 VAL MG2 1.800 . 3.300 2.643 2.142 2.970 . 0 0 "[ . 1 . 2]" 1
989 1 54 VAL H 1 54 VAL HB 1.800 . 2.900 2.429 2.388 2.516 . 0 0 "[ . 1 . 2]" 1
990 2 54 VAL H 2 54 VAL HB 1.800 . 2.900 2.427 2.383 2.490 . 0 0 "[ . 1 . 2]" 1
991 1 54 VAL H 1 54 VAL MG2 1.800 . 2.900 2.247 2.168 2.331 . 0 0 "[ . 1 . 2]" 1
992 2 54 VAL H 2 54 VAL MG2 1.800 . 2.900 2.251 2.145 2.336 . 0 0 "[ . 1 . 2]" 1
993 1 54 VAL HA 1 54 VAL MG1 1.800 . 2.700 2.418 2.362 2.449 . 0 0 "[ . 1 . 2]" 1
994 2 54 VAL HA 2 54 VAL MG1 1.800 . 2.700 2.419 2.392 2.444 . 0 0 "[ . 1 . 2]" 1
995 1 54 VAL HA 1 54 VAL MG2 1.800 . 2.700 2.286 2.239 2.340 . 0 0 "[ . 1 . 2]" 1
996 2 54 VAL HA 2 54 VAL MG2 1.800 . 2.700 2.284 2.235 2.334 . 0 0 "[ . 1 . 2]" 1
997 1 53 VAL H 1 54 VAL H 1.800 . 2.900 2.742 2.640 2.806 . 0 0 "[ . 1 . 2]" 1
998 2 53 VAL H 2 54 VAL H 1.800 . 2.900 2.745 2.642 2.807 . 0 0 "[ . 1 . 2]" 1
999 1 53 VAL HA 1 54 VAL H 1.800 . 4.200 3.567 3.552 3.578 . 0 0 "[ . 1 . 2]" 1
1000 2 53 VAL HA 2 54 VAL H 1.800 . 4.200 3.568 3.556 3.579 . 0 0 "[ . 1 . 2]" 1
1001 1 53 VAL HB 1 54 VAL H 1.800 . 2.900 2.611 2.442 2.668 . 0 0 "[ . 1 . 2]" 1
1002 2 53 VAL HB 2 54 VAL H 1.800 . 2.900 2.613 2.446 2.682 . 0 0 "[ . 1 . 2]" 1
1003 1 53 VAL MG1 1 54 VAL H 1.800 . 3.500 3.292 3.167 3.460 . 0 0 "[ . 1 . 2]" 1
1004 2 53 VAL MG1 2 54 VAL H 1.800 . 3.500 3.288 3.161 3.404 . 0 0 "[ . 1 . 2]" 1
1005 1 53 VAL MG2 1 54 VAL H 1.800 . 5.000 3.924 3.814 3.975 . 0 0 "[ . 1 . 2]" 1
1006 2 53 VAL MG2 2 54 VAL H 1.800 . 5.000 3.928 3.826 3.975 . 0 0 "[ . 1 . 2]" 1
1007 1 51 GLN HA 1 54 VAL H 1.800 . 4.200 3.354 3.154 3.560 . 0 0 "[ . 1 . 2]" 1
1008 2 51 GLN HA 2 54 VAL H 1.800 . 4.200 3.350 3.156 3.565 . 0 0 "[ . 1 . 2]" 1
1009 1 52 GLU H 1 54 VAL H 1.800 . 5.000 4.321 4.189 4.512 . 0 0 "[ . 1 . 2]" 1
1010 2 52 GLU H 2 54 VAL H 1.800 . 5.000 4.321 4.190 4.519 . 0 0 "[ . 1 . 2]" 1
1011 1 52 GLU HA 1 54 VAL H 1.800 . 5.000 4.378 4.253 4.595 . 0 0 "[ . 1 . 2]" 1
1012 2 52 GLU HA 2 54 VAL H 1.800 . 5.000 4.379 4.247 4.598 . 0 0 "[ . 1 . 2]" 1
1013 1 54 VAL HA 1 57 VAL HB 1.800 . 4.200 2.743 2.550 2.973 . 0 0 "[ . 1 . 2]" 1
1014 2 54 VAL HA 2 57 VAL HB 1.800 . 4.200 2.741 2.574 2.983 . 0 0 "[ . 1 . 2]" 1
1015 1 54 VAL MG1 1 58 MET ME 1.800 . 5.000 4.477 3.007 5.187 0.187 3 0 "[ . 1 . 2]" 1
1016 2 54 VAL MG1 2 58 MET ME 1.800 . 5.000 4.462 2.990 5.180 0.180 3 0 "[ . 1 . 2]" 1
1017 1 30 LYS QB 1 54 VAL MG1 1.800 . 5.000 3.959 2.467 5.035 0.035 17 0 "[ . 1 . 2]" 1
1018 2 30 LYS QB 2 54 VAL MG1 1.800 . 5.000 3.951 2.467 4.995 . 0 0 "[ . 1 . 2]" 1
1019 1 34 LYS QB 1 54 VAL MG1 1.800 . 4.200 3.129 2.276 4.146 . 0 0 "[ . 1 . 2]" 1
1020 2 34 LYS QB 2 54 VAL MG1 1.800 . 4.200 3.128 2.262 4.143 . 0 0 "[ . 1 . 2]" 1
1021 1 34 LYS QB 1 54 VAL MG2 1.800 . 4.200 3.370 2.564 4.005 . 0 0 "[ . 1 . 2]" 1
1022 2 34 LYS QB 2 54 VAL MG2 1.800 . 4.200 3.364 2.563 4.052 . 0 0 "[ . 1 . 2]" 1
1023 1 34 LYS QG 1 54 VAL MG1 1.800 . 5.000 3.934 2.263 5.063 0.063 3 0 "[ . 1 . 2]" 1
1024 2 34 LYS QG 2 54 VAL MG1 1.800 . 5.000 3.933 2.271 5.028 0.028 3 0 "[ . 1 . 2]" 1
1025 1 34 LYS QG 1 54 VAL MG2 1.800 . 5.000 3.138 2.214 4.713 . 0 0 "[ . 1 . 2]" 1
1026 2 34 LYS QG 2 54 VAL MG2 1.800 . 5.000 3.132 2.232 4.657 . 0 0 "[ . 1 . 2]" 1
1027 1 34 LYS QD 1 54 VAL MG1 1.800 . 5.000 4.092 2.390 5.126 0.126 13 0 "[ . 1 . 2]" 1
1028 2 34 LYS QD 2 54 VAL MG1 1.800 . 5.000 4.097 2.365 5.133 0.133 13 0 "[ . 1 . 2]" 1
1029 1 34 LYS QD 1 54 VAL MG2 1.800 . 5.000 3.475 2.249 4.232 . 0 0 "[ . 1 . 2]" 1
1030 2 34 LYS QD 2 54 VAL MG2 1.800 . 5.000 3.479 2.303 4.248 . 0 0 "[ . 1 . 2]" 1
1031 1 37 ILE MG 1 54 VAL MG2 1.800 . 5.000 4.667 3.993 5.144 0.144 4 0 "[ . 1 . 2]" 1
1032 2 37 ILE MG 2 54 VAL MG2 1.800 . 5.000 4.658 3.998 5.134 0.134 4 0 "[ . 1 . 2]" 1
1033 1 48 ILE MG 1 54 VAL H 1.800 . 5.000 3.836 3.146 4.631 . 0 0 "[ . 1 . 2]" 1
1034 2 48 ILE MG 2 54 VAL H 1.800 . 5.000 3.830 3.145 4.625 . 0 0 "[ . 1 . 2]" 1
1035 1 55 ASP H 1 55 ASP HA 1.800 . 2.900 2.847 2.838 2.866 . 0 0 "[ . 1 . 2]" 1
1036 2 55 ASP H 2 55 ASP HA 1.800 . 2.900 2.847 2.836 2.865 . 0 0 "[ . 1 . 2]" 1
1037 1 55 ASP H 1 55 ASP QB 1.800 . 2.900 2.322 2.263 2.453 . 0 0 "[ . 1 . 2]" 1
1038 2 55 ASP H 2 55 ASP QB 1.800 . 2.900 2.322 2.266 2.445 . 0 0 "[ . 1 . 2]" 1
1039 1 54 VAL H 1 55 ASP H 1.800 . 2.900 2.721 2.614 2.789 . 0 0 "[ . 1 . 2]" 1
1040 2 54 VAL H 2 55 ASP H 1.800 . 2.900 2.724 2.610 2.786 . 0 0 "[ . 1 . 2]" 1
1041 1 54 VAL HA 1 55 ASP H 1.800 . 3.500 3.563 3.549 3.576 0.076 9 0 "[ . 1 . 2]" 1
1042 2 54 VAL HA 2 55 ASP H 1.800 . 3.500 3.564 3.547 3.577 0.077 13 0 "[ . 1 . 2]" 1
1043 1 54 VAL HB 1 55 ASP H 1.800 . 2.900 2.608 2.483 2.688 . 0 0 "[ . 1 . 2]" 1
1044 2 54 VAL HB 2 55 ASP H 1.800 . 2.900 2.615 2.497 2.689 . 0 0 "[ . 1 . 2]" 1
1045 1 54 VAL MG1 1 55 ASP H 1.800 . 3.500 3.271 3.175 3.391 . 0 0 "[ . 1 . 2]" 1
1046 2 54 VAL MG1 2 55 ASP H 1.800 . 3.500 3.270 3.162 3.366 . 0 0 "[ . 1 . 2]" 1
1047 1 54 VAL MG1 1 55 ASP HA 1.800 . 4.200 3.309 3.272 3.416 . 0 0 "[ . 1 . 2]" 1
1048 2 54 VAL MG1 2 55 ASP HA 1.800 . 4.200 3.311 3.243 3.393 . 0 0 "[ . 1 . 2]" 1
1049 1 52 GLU HA 1 55 ASP H 1.800 . 3.500 3.386 3.200 3.535 0.035 8 0 "[ . 1 . 2]" 1
1050 2 52 GLU HA 2 55 ASP H 1.800 . 3.500 3.384 3.194 3.531 0.031 9 0 "[ . 1 . 2]" 1
1051 1 53 VAL HA 1 55 ASP H 1.800 . 5.000 4.461 4.337 4.699 . 0 0 "[ . 1 . 2]" 1
1052 2 53 VAL HA 2 55 ASP H 1.800 . 5.000 4.462 4.354 4.699 . 0 0 "[ . 1 . 2]" 1
1053 1 53 VAL H 1 55 ASP H 1.800 . 5.000 4.234 4.134 4.396 . 0 0 "[ . 1 . 2]" 1
1054 2 53 VAL H 2 55 ASP H 1.800 . 5.000 4.237 4.135 4.395 . 0 0 "[ . 1 . 2]" 1
1055 1 55 ASP HA 1 58 MET QB 1.800 . 3.300 2.740 2.304 3.415 0.115 9 0 "[ . 1 . 2]" 1
1056 2 55 ASP HA 2 58 MET QB 1.800 . 3.300 2.742 2.307 3.415 0.115 9 0 "[ . 1 . 2]" 1
1057 1 56 LYS H 1 56 LYS HA 1.800 . 2.900 2.856 2.841 2.884 . 0 0 "[ . 1 . 2]" 1
1058 2 56 LYS H 2 56 LYS HA 1.800 . 2.900 2.857 2.841 2.884 . 0 0 "[ . 1 . 2]" 1
1059 1 56 LYS H 1 56 LYS QB 1.800 . 2.900 2.287 2.189 2.488 . 0 0 "[ . 1 . 2]" 1
1060 2 56 LYS H 2 56 LYS QB 1.800 . 2.900 2.289 2.198 2.488 . 0 0 "[ . 1 . 2]" 1
1061 1 55 ASP H 1 56 LYS H 1.800 . 2.900 2.771 2.717 2.877 . 0 0 "[ . 1 . 2]" 1
1062 2 55 ASP H 2 56 LYS H 1.800 . 2.900 2.771 2.718 2.874 . 0 0 "[ . 1 . 2]" 1
1063 1 55 ASP HA 1 56 LYS H 1.800 . 3.500 3.567 3.550 3.588 0.088 16 0 "[ . 1 . 2]" 1
1064 2 55 ASP HA 2 56 LYS H 1.800 . 3.500 3.568 3.549 3.597 0.097 10 0 "[ . 1 . 2]" 1
1065 1 55 ASP QB 1 56 LYS H 1.800 . 2.900 2.504 2.396 2.607 . 0 0 "[ . 1 . 2]" 1
1066 2 55 ASP QB 2 56 LYS H 1.800 . 2.900 2.506 2.379 2.605 . 0 0 "[ . 1 . 2]" 1
1067 1 52 GLU HA 1 56 LYS H 1.800 . 5.000 4.239 3.569 4.548 . 0 0 "[ . 1 . 2]" 1
1068 2 52 GLU HA 2 56 LYS H 1.800 . 5.000 4.238 3.562 4.568 . 0 0 "[ . 1 . 2]" 1
1069 1 53 VAL HA 1 56 LYS H 1.800 . 4.200 3.524 3.356 3.695 . 0 0 "[ . 1 . 2]" 1
1070 2 53 VAL HA 2 56 LYS H 1.800 . 4.200 3.524 3.349 3.696 . 0 0 "[ . 1 . 2]" 1
1071 1 54 VAL H 1 56 LYS H 1.800 . 5.000 4.284 4.172 4.490 . 0 0 "[ . 1 . 2]" 1
1072 2 54 VAL H 2 56 LYS H 1.800 . 5.000 4.285 4.182 4.493 . 0 0 "[ . 1 . 2]" 1
1073 1 54 VAL HA 1 56 LYS H 1.800 . 5.000 4.502 4.359 4.700 . 0 0 "[ . 1 . 2]" 1
1074 2 54 VAL HA 2 56 LYS H 1.800 . 5.000 4.497 4.354 4.700 . 0 0 "[ . 1 . 2]" 1
1075 1 56 LYS HA 1 59 GLU QB 1.800 . 3.300 3.002 2.628 3.321 0.021 7 0 "[ . 1 . 2]" 1
1076 2 56 LYS HA 2 59 GLU QB 1.800 . 3.300 3.002 2.628 3.327 0.027 7 0 "[ . 1 . 2]" 1
1077 1 57 VAL H 1 57 VAL HA 1.800 . 2.900 2.864 2.831 2.888 . 0 0 "[ . 1 . 2]" 1
1078 2 57 VAL H 2 57 VAL HA 1.800 . 2.900 2.864 2.832 2.887 . 0 0 "[ . 1 . 2]" 1
1079 1 57 VAL H 1 57 VAL HB 1.800 . 2.900 2.403 2.356 2.434 . 0 0 "[ . 1 . 2]" 1
1080 2 57 VAL H 2 57 VAL HB 1.800 . 2.900 2.403 2.364 2.440 . 0 0 "[ . 1 . 2]" 1
1081 1 57 VAL H 1 57 VAL MG2 1.800 . 2.900 2.257 2.167 2.341 . 0 0 "[ . 1 . 2]" 1
1082 2 57 VAL H 2 57 VAL MG2 1.800 . 2.900 2.249 2.158 2.318 . 0 0 "[ . 1 . 2]" 1
1083 1 57 VAL HA 1 57 VAL MG1 1.800 . 2.700 2.420 2.397 2.438 . 0 0 "[ . 1 . 2]" 1
1084 2 57 VAL HA 2 57 VAL MG1 1.800 . 2.700 2.420 2.380 2.453 . 0 0 "[ . 1 . 2]" 1
1085 1 57 VAL HA 1 57 VAL MG2 1.800 . 2.700 2.307 2.246 2.378 . 0 0 "[ . 1 . 2]" 1
1086 2 57 VAL HA 2 57 VAL MG2 1.800 . 2.700 2.311 2.227 2.363 . 0 0 "[ . 1 . 2]" 1
1087 1 56 LYS H 1 57 VAL H 1.800 . 2.900 2.714 2.641 2.817 . 0 0 "[ . 1 . 2]" 1
1088 2 56 LYS H 2 57 VAL H 1.800 . 2.900 2.712 2.633 2.823 . 0 0 "[ . 1 . 2]" 1
1089 1 56 LYS HA 1 57 VAL H 1.800 . 3.500 3.556 3.539 3.576 0.076 20 0 "[ . 1 . 2]" 1
1090 2 56 LYS HA 2 57 VAL H 1.800 . 3.500 3.555 3.540 3.579 0.079 3 0 "[ . 1 . 2]" 1
1091 1 56 LYS QB 1 57 VAL H 1.800 . 2.900 2.513 2.367 2.686 . 0 0 "[ . 1 . 2]" 1
1092 2 56 LYS QB 2 57 VAL H 1.800 . 2.900 2.518 2.371 2.686 . 0 0 "[ . 1 . 2]" 1
1093 1 56 LYS QG 1 57 VAL H 1.800 . 5.000 3.799 3.401 4.561 . 0 0 "[ . 1 . 2]" 1
1094 2 56 LYS QG 2 57 VAL H 1.800 . 5.000 3.805 3.407 4.561 . 0 0 "[ . 1 . 2]" 1
1095 1 56 LYS QG 1 57 VAL MG2 1.800 . 5.000 4.108 3.447 5.121 0.121 9 0 "[ . 1 . 2]" 1
1096 2 56 LYS QG 2 57 VAL MG2 1.800 . 5.000 4.114 3.395 5.123 0.123 9 0 "[ . 1 . 2]" 1
1097 1 57 VAL MG1 1 58 MET HA 1.800 . 5.000 3.316 3.225 3.394 . 0 0 "[ . 1 . 2]" 1
1098 2 57 VAL MG1 2 58 MET HA 1.800 . 5.000 3.321 3.232 3.390 . 0 0 "[ . 1 . 2]" 1
1099 1 53 VAL HA 1 57 VAL H 1.800 . 5.000 4.227 3.902 4.629 . 0 0 "[ . 1 . 2]" 1
1100 2 53 VAL HA 2 57 VAL H 1.800 . 5.000 4.229 3.907 4.626 . 0 0 "[ . 1 . 2]" 1
1101 1 53 VAL HA 1 57 VAL MG2 1.800 . 5.000 4.056 3.547 4.477 . 0 0 "[ . 1 . 2]" 1
1102 2 53 VAL HA 2 57 VAL MG2 1.800 . 5.000 4.051 3.552 4.485 . 0 0 "[ . 1 . 2]" 1
1103 1 53 VAL MG1 1 57 VAL H 1.800 . 5.000 4.011 3.716 4.220 . 0 0 "[ . 1 . 2]" 1
1104 2 53 VAL MG1 2 57 VAL H 1.800 . 5.000 4.009 3.724 4.217 . 0 0 "[ . 1 . 2]" 1
1105 1 54 VAL HA 1 57 VAL H 1.800 . 4.200 3.508 3.327 3.647 . 0 0 "[ . 1 . 2]" 1
1106 2 54 VAL HA 2 57 VAL H 1.800 . 4.200 3.504 3.305 3.646 . 0 0 "[ . 1 . 2]" 1
1107 1 54 VAL HA 1 57 VAL MG1 1.800 . 4.200 4.073 3.883 4.264 0.064 5 0 "[ . 1 . 2]" 1
1108 2 54 VAL HA 2 57 VAL MG1 1.800 . 4.200 4.073 3.900 4.274 0.074 5 0 "[ . 1 . 2]" 1
1109 1 54 VAL HA 1 57 VAL MG2 1.800 . 4.200 3.269 2.880 3.651 . 0 0 "[ . 1 . 2]" 1
1110 2 54 VAL HA 2 57 VAL MG2 1.800 . 4.200 3.266 2.870 3.652 . 0 0 "[ . 1 . 2]" 1
1111 1 55 ASP H 1 57 VAL H 1.800 . 5.000 4.236 4.112 4.369 . 0 0 "[ . 1 . 2]" 1
1112 2 55 ASP H 2 57 VAL H 1.800 . 5.000 4.237 4.123 4.371 . 0 0 "[ . 1 . 2]" 1
1113 1 55 ASP HA 1 57 VAL H 1.800 . 5.000 4.489 4.333 4.635 . 0 0 "[ . 1 . 2]" 1
1114 2 55 ASP HA 2 57 VAL H 1.800 . 5.000 4.489 4.346 4.648 . 0 0 "[ . 1 . 2]" 1
1115 1 57 VAL HA 1 60 THR HB 1.800 . 3.300 2.994 2.642 3.328 0.028 6 0 "[ . 1 . 2]" 1
1116 2 57 VAL HA 2 60 THR HB 1.800 . 3.300 2.986 2.643 3.310 0.010 6 0 "[ . 1 . 2]" 1
1117 1 57 VAL MG1 1 61 LEU QD 1.800 . 5.000 3.159 2.023 3.890 . 0 0 "[ . 1 . 2]" 1
1118 2 57 VAL MG1 2 61 LEU QD 1.800 . 5.000 3.159 2.087 3.905 . 0 0 "[ . 1 . 2]" 1
1119 1 33 LEU QD 1 57 VAL MG1 1.800 . 4.200 3.806 3.115 4.533 0.333 15 0 "[ . 1 . 2]" 1
1120 2 33 LEU QD 2 57 VAL MG1 1.800 . 4.200 3.806 3.126 4.537 0.337 15 0 "[ . 1 . 2]" 1
1121 1 58 MET H 1 58 MET HA 1.800 . 2.900 2.847 2.831 2.878 . 0 0 "[ . 1 . 2]" 1
1122 2 58 MET H 2 58 MET HA 1.800 . 2.900 2.847 2.830 2.883 . 0 0 "[ . 1 . 2]" 1
1123 1 58 MET H 1 58 MET QB 1.800 . 2.900 2.294 2.049 2.414 . 0 0 "[ . 1 . 2]" 1
1124 2 58 MET H 2 58 MET QB 1.800 . 2.900 2.295 2.063 2.422 . 0 0 "[ . 1 . 2]" 1
1125 1 58 MET HA 1 58 MET ME 1.800 . 5.000 3.893 3.447 4.576 . 0 0 "[ . 1 . 2]" 1
1126 2 58 MET HA 2 58 MET ME 1.800 . 5.000 3.893 3.478 4.568 . 0 0 "[ . 1 . 2]" 1
1127 1 57 VAL H 1 58 MET H 1.800 . 2.900 2.687 2.601 2.838 . 0 0 "[ . 1 . 2]" 1
1128 2 57 VAL H 2 58 MET H 1.800 . 2.900 2.686 2.603 2.838 . 0 0 "[ . 1 . 2]" 1
1129 1 57 VAL HA 1 58 MET H 1.800 . 3.500 3.558 3.528 3.580 0.080 19 0 "[ . 1 . 2]" 1
1130 2 57 VAL HA 2 58 MET H 1.800 . 3.500 3.558 3.544 3.577 0.077 9 0 "[ . 1 . 2]" 1
1131 1 57 VAL HB 1 58 MET H 1.800 . 2.900 2.624 2.479 2.687 . 0 0 "[ . 1 . 2]" 1
1132 2 57 VAL HB 2 58 MET H 1.800 . 2.900 2.624 2.490 2.693 . 0 0 "[ . 1 . 2]" 1
1133 1 57 VAL MG1 1 58 MET H 1.800 . 3.500 3.276 3.127 3.342 . 0 0 "[ . 1 . 2]" 1
1134 2 57 VAL MG1 2 58 MET H 1.800 . 3.500 3.283 3.138 3.352 . 0 0 "[ . 1 . 2]" 1
1135 1 54 VAL HA 1 58 MET H 1.800 . 5.000 4.059 3.545 4.571 . 0 0 "[ . 1 . 2]" 1
1136 2 54 VAL HA 2 58 MET H 1.800 . 5.000 4.058 3.539 4.570 . 0 0 "[ . 1 . 2]" 1
1137 1 54 VAL MG1 1 58 MET H 1.800 . 5.000 3.864 3.497 4.228 . 0 0 "[ . 1 . 2]" 1
1138 2 54 VAL MG1 2 58 MET H 1.800 . 5.000 3.854 3.491 4.225 . 0 0 "[ . 1 . 2]" 1
1139 1 55 ASP HA 1 58 MET H 1.800 . 4.200 3.498 3.280 3.845 . 0 0 "[ . 1 . 2]" 1
1140 2 55 ASP HA 2 58 MET H 1.800 . 4.200 3.498 3.295 3.846 . 0 0 "[ . 1 . 2]" 1
1141 1 56 LYS H 1 58 MET H 1.800 . 5.000 4.189 4.041 4.372 . 0 0 "[ . 1 . 2]" 1
1142 2 56 LYS H 2 58 MET H 1.800 . 5.000 4.185 4.027 4.371 . 0 0 "[ . 1 . 2]" 1
1143 1 56 LYS HA 1 58 MET H 1.800 . 5.000 4.497 4.350 4.791 . 0 0 "[ . 1 . 2]" 1
1144 2 56 LYS HA 2 58 MET H 1.800 . 5.000 4.494 4.339 4.782 . 0 0 "[ . 1 . 2]" 1
1145 1 58 MET HA 1 61 LEU QB 1.800 . 5.000 2.996 2.487 4.274 . 0 0 "[ . 1 . 2]" 1
1146 2 58 MET HA 2 61 LEU QB 1.800 . 5.000 3.000 2.490 4.295 . 0 0 "[ . 1 . 2]" 1
1147 1 29 LYS HA 1 58 MET ME 1.800 . 5.000 4.371 3.005 5.105 0.105 1 0 "[ . 1 . 2]" 1
1148 2 29 LYS HA 2 58 MET ME 1.800 . 5.000 4.369 2.989 5.074 0.074 1 0 "[ . 1 . 2]" 1
1149 1 30 LYS QB 1 58 MET ME 1.800 . 4.200 3.273 2.280 4.292 0.092 5 0 "[ . 1 . 2]" 1
1150 2 30 LYS QB 2 58 MET ME 1.800 . 4.200 3.271 2.268 4.245 0.045 5 0 "[ . 1 . 2]" 1
1151 1 30 LYS QD 1 58 MET ME 1.800 . 5.000 4.061 2.511 5.102 0.102 16 0 "[ . 1 . 2]" 1
1152 2 30 LYS QD 2 58 MET ME 1.800 . 5.000 4.060 2.535 5.039 0.039 16 0 "[ . 1 . 2]" 1
1153 1 33 LEU QD 1 58 MET H 1.800 . 6.000 4.864 4.259 5.906 . 0 0 "[ . 1 . 2]" 1
1154 2 33 LEU QD 2 58 MET H 1.800 . 6.000 4.868 4.276 5.888 . 0 0 "[ . 1 . 2]" 1
1155 1 58 MET ME 1 69 CYS QB 1.800 . 5.000 3.427 2.342 4.484 . 0 0 "[ . 1 . 2]" 1
1156 2 58 MET ME 2 69 CYS QB 1.800 . 5.000 3.420 2.288 4.520 . 0 0 "[ . 1 . 2]" 1
1157 1 59 GLU H 1 59 GLU HA 1.800 . 2.900 2.856 2.839 2.887 . 0 0 "[ . 1 . 2]" 1
1158 2 59 GLU H 2 59 GLU HA 1.800 . 2.900 2.857 2.838 2.884 . 0 0 "[ . 1 . 2]" 1
1159 1 59 GLU H 1 59 GLU QB 1.800 . 2.900 2.303 2.222 2.402 . 0 0 "[ . 1 . 2]" 1
1160 2 59 GLU H 2 59 GLU QB 1.800 . 2.900 2.302 2.227 2.401 . 0 0 "[ . 1 . 2]" 1
1161 1 58 MET H 1 59 GLU H 1.800 . 2.900 2.763 2.649 2.952 0.052 7 0 "[ . 1 . 2]" 1
1162 2 58 MET H 2 59 GLU H 1.800 . 2.900 2.762 2.628 2.933 0.033 7 0 "[ . 1 . 2]" 1
1163 1 58 MET HA 1 59 GLU H 1.800 . 3.500 3.564 3.542 3.597 0.097 7 0 "[ . 1 . 2]" 1
1164 2 58 MET HA 2 59 GLU H 1.800 . 3.500 3.564 3.541 3.597 0.097 7 0 "[ . 1 . 2]" 1
1165 1 58 MET QB 1 59 GLU H 1.800 . 3.500 2.525 2.350 2.649 . 0 0 "[ . 1 . 2]" 1
1166 2 58 MET QB 2 59 GLU H 1.800 . 3.500 2.526 2.351 2.668 . 0 0 "[ . 1 . 2]" 1
1167 1 55 ASP HA 1 59 GLU H 1.800 . 5.000 4.158 3.614 4.802 . 0 0 "[ . 1 . 2]" 1
1168 2 55 ASP HA 2 59 GLU H 1.800 . 5.000 4.161 3.617 4.806 . 0 0 "[ . 1 . 2]" 1
1169 1 56 LYS HA 1 59 GLU H 1.800 . 4.200 3.622 3.362 3.821 . 0 0 "[ . 1 . 2]" 1
1170 2 56 LYS HA 2 59 GLU H 1.800 . 4.200 3.619 3.369 3.823 . 0 0 "[ . 1 . 2]" 1
1171 1 57 VAL H 1 59 GLU H 1.800 . 5.000 4.268 4.072 4.660 . 0 0 "[ . 1 . 2]" 1
1172 2 57 VAL H 2 59 GLU H 1.800 . 5.000 4.267 4.079 4.647 . 0 0 "[ . 1 . 2]" 1
1173 1 57 VAL HA 1 59 GLU H 1.800 . 5.000 4.482 4.326 4.802 . 0 0 "[ . 1 . 2]" 1
1174 2 57 VAL HA 2 59 GLU H 1.800 . 5.000 4.482 4.323 4.792 . 0 0 "[ . 1 . 2]" 1
1175 1 59 GLU HA 1 62 ASP QB 1.800 . 5.000 2.975 2.407 4.117 . 0 0 "[ . 1 . 2]" 1
1176 2 59 GLU HA 2 62 ASP QB 1.800 . 5.000 2.975 2.415 4.140 . 0 0 "[ . 1 . 2]" 1
1177 1 60 THR H 1 60 THR HA 1.800 . 2.900 2.869 2.831 2.891 . 0 0 "[ . 1 . 2]" 1
1178 2 60 THR H 2 60 THR HA 1.800 . 2.900 2.869 2.831 2.892 . 0 0 "[ . 1 . 2]" 1
1179 1 60 THR H 1 60 THR HB 1.800 . 2.900 2.532 2.489 2.597 . 0 0 "[ . 1 . 2]" 1
1180 2 60 THR H 2 60 THR HB 1.800 . 2.900 2.525 2.482 2.597 . 0 0 "[ . 1 . 2]" 1
1181 1 59 GLU H 1 60 THR H 1.800 . 2.900 2.721 2.645 2.775 . 0 0 "[ . 1 . 2]" 1
1182 2 59 GLU H 2 60 THR H 1.800 . 2.900 2.721 2.649 2.772 . 0 0 "[ . 1 . 2]" 1
1183 1 59 GLU HA 1 60 THR H 1.800 . 3.500 3.556 3.533 3.580 0.080 9 0 "[ . 1 . 2]" 1
1184 2 59 GLU HA 2 60 THR H 1.800 . 3.500 3.557 3.533 3.581 0.081 9 0 "[ . 1 . 2]" 1
1185 1 59 GLU QB 1 60 THR H 1.800 . 2.900 2.577 2.449 2.685 . 0 0 "[ . 1 . 2]" 1
1186 2 59 GLU QB 2 60 THR H 1.800 . 2.900 2.574 2.468 2.698 . 0 0 "[ . 1 . 2]" 1
1187 1 59 GLU QG 1 60 THR H 1.800 . 5.000 3.959 3.529 4.538 . 0 0 "[ . 1 . 2]" 1
1188 2 59 GLU QG 2 60 THR H 1.800 . 5.000 3.961 3.511 4.541 . 0 0 "[ . 1 . 2]" 1
1189 1 60 THR MG 1 61 LEU HA 1.800 . 5.000 3.485 3.368 3.613 . 0 0 "[ . 1 . 2]" 1
1190 2 60 THR MG 2 61 LEU HA 1.800 . 5.000 3.477 3.349 3.609 . 0 0 "[ . 1 . 2]" 1
1191 1 56 LYS HA 1 60 THR H 1.800 . 5.000 4.358 3.753 4.832 . 0 0 "[ . 1 . 2]" 1
1192 2 56 LYS HA 2 60 THR H 1.800 . 5.000 4.357 3.755 4.827 . 0 0 "[ . 1 . 2]" 1
1193 1 57 VAL HA 1 60 THR H 1.800 . 4.200 3.542 3.397 3.810 . 0 0 "[ . 1 . 2]" 1
1194 2 57 VAL HA 2 60 THR H 1.800 . 4.200 3.543 3.396 3.814 . 0 0 "[ . 1 . 2]" 1
1195 1 57 VAL HA 1 60 THR MG 1.800 . 5.000 4.311 4.060 4.628 . 0 0 "[ . 1 . 2]" 1
1196 2 57 VAL HA 2 60 THR MG 1.800 . 5.000 4.304 4.064 4.639 . 0 0 "[ . 1 . 2]" 1
1197 1 57 VAL MG1 1 60 THR H 1.800 . 5.000 4.649 4.353 5.001 0.001 3 0 "[ . 1 . 2]" 1
1198 2 57 VAL MG1 2 60 THR H 1.800 . 5.000 4.654 4.362 4.980 . 0 0 "[ . 1 . 2]" 1
1199 1 58 MET HA 1 60 THR H 1.800 . 5.000 4.462 4.228 4.727 . 0 0 "[ . 1 . 2]" 1
1200 2 58 MET HA 2 60 THR H 1.800 . 5.000 4.462 4.230 4.718 . 0 0 "[ . 1 . 2]" 1
1201 1 58 MET H 1 60 THR H 1.800 . 5.000 4.256 4.158 4.403 . 0 0 "[ . 1 . 2]" 1
1202 2 58 MET H 2 60 THR H 1.800 . 5.000 4.257 4.166 4.404 . 0 0 "[ . 1 . 2]" 1
1203 1 60 THR MG 1 80 MET ME 1.800 . 4.200 3.645 1.994 4.307 0.107 2 0 "[ . 1 . 2]" 1
1204 2 60 THR MG 2 80 MET ME 1.800 . 4.200 3.619 1.978 4.276 0.076 5 0 "[ . 1 . 2]" 1
1205 1 61 LEU H 1 61 LEU HA 1.800 . 2.900 2.882 2.841 2.934 0.034 1 0 "[ . 1 . 2]" 1
1206 2 61 LEU H 2 61 LEU HA 1.800 . 2.900 2.883 2.840 2.933 0.033 1 0 "[ . 1 . 2]" 1
1207 1 61 LEU H 1 61 LEU QB 1.800 . 2.900 2.259 2.121 2.475 . 0 0 "[ . 1 . 2]" 1
1208 2 61 LEU H 2 61 LEU QB 1.800 . 2.900 2.257 2.102 2.500 . 0 0 "[ . 1 . 2]" 1
1209 1 61 LEU HA 1 61 LEU QD 1.800 . 3.300 2.279 1.949 3.380 0.080 1 0 "[ . 1 . 2]" 1
1210 2 61 LEU HA 2 61 LEU QD 1.800 . 3.300 2.278 1.958 3.384 0.084 1 0 "[ . 1 . 2]" 1
1211 1 60 THR H 1 61 LEU H 1.800 . 2.900 2.705 2.606 2.910 0.010 1 0 "[ . 1 . 2]" 1
1212 2 60 THR H 2 61 LEU H 1.800 . 2.900 2.707 2.599 2.903 0.003 1 0 "[ . 1 . 2]" 1
1213 1 60 THR HA 1 61 LEU H 1.800 . 3.500 3.566 3.549 3.608 0.108 1 0 "[ . 1 . 2]" 1
1214 2 60 THR HA 2 61 LEU H 1.800 . 3.500 3.565 3.547 3.606 0.106 1 0 "[ . 1 . 2]" 1
1215 1 60 THR HB 1 61 LEU H 1.800 . 3.500 2.531 2.369 2.627 . 0 0 "[ . 1 . 2]" 1
1216 2 60 THR HB 2 61 LEU H 1.800 . 3.500 2.531 2.349 2.625 . 0 0 "[ . 1 . 2]" 1
1217 1 60 THR MG 1 61 LEU H 1.800 . 3.500 3.423 3.266 3.506 0.006 20 0 "[ . 1 . 2]" 1
1218 2 60 THR MG 2 61 LEU H 1.800 . 3.500 3.414 3.251 3.521 0.021 12 0 "[ . 1 . 2]" 1
1219 1 57 VAL HA 1 61 LEU H 1.800 . 5.000 4.137 3.432 4.807 . 0 0 "[ . 1 . 2]" 1
1220 2 57 VAL HA 2 61 LEU H 1.800 . 5.000 4.140 3.430 4.799 . 0 0 "[ . 1 . 2]" 1
1221 1 57 VAL MG1 1 61 LEU H 1.800 . 5.000 3.907 3.568 4.332 . 0 0 "[ . 1 . 2]" 1
1222 2 57 VAL MG1 2 61 LEU H 1.800 . 5.000 3.910 3.553 4.325 . 0 0 "[ . 1 . 2]" 1
1223 1 58 MET HA 1 61 LEU H 1.800 . 4.200 3.591 3.393 3.843 . 0 0 "[ . 1 . 2]" 1
1224 2 58 MET HA 2 61 LEU H 1.800 . 4.200 3.591 3.393 3.839 . 0 0 "[ . 1 . 2]" 1
1225 1 58 MET ME 1 61 LEU QD 1.800 . 6.000 4.678 3.421 6.105 0.105 15 0 "[ . 1 . 2]" 1
1226 2 58 MET ME 2 61 LEU QD 1.800 . 6.000 4.685 3.439 6.071 0.071 15 0 "[ . 1 . 2]" 1
1227 1 59 GLU H 1 61 LEU H 1.800 . 5.000 4.296 4.139 4.574 . 0 0 "[ . 1 . 2]" 1
1228 2 59 GLU H 2 61 LEU H 1.800 . 5.000 4.297 4.139 4.566 . 0 0 "[ . 1 . 2]" 1
1229 1 59 GLU HA 1 61 LEU H 1.800 . 5.000 4.593 4.395 4.850 . 0 0 "[ . 1 . 2]" 1
1230 2 59 GLU HA 2 61 LEU H 1.800 . 5.000 4.594 4.405 4.849 . 0 0 "[ . 1 . 2]" 1
1231 1 61 LEU QD 1 77 PHE HA 1.800 . 4.200 2.749 2.205 3.996 . 0 0 "[ . 1 . 2]" 1
1232 2 61 LEU QD 2 77 PHE HA 1.800 . 4.200 2.747 2.202 4.023 . 0 0 "[ . 1 . 2]" 1
1233 1 61 LEU QD 1 77 PHE QB 1.800 . 5.000 2.517 2.064 3.268 . 0 0 "[ . 1 . 2]" 1
1234 2 61 LEU QD 2 77 PHE QB 1.800 . 5.000 2.512 2.023 3.273 . 0 0 "[ . 1 . 2]" 1
1235 1 62 ASP H 1 62 ASP QB 1.800 . 2.900 2.324 2.274 2.424 . 0 0 "[ . 1 . 2]" 1
1236 2 62 ASP H 2 62 ASP QB 1.800 . 2.900 2.324 2.272 2.425 . 0 0 "[ . 1 . 2]" 1
1237 1 61 LEU H 1 62 ASP H 1.800 . 2.900 2.669 2.456 2.828 . 0 0 "[ . 1 . 2]" 1
1238 2 61 LEU H 2 62 ASP H 1.800 . 2.900 2.667 2.460 2.838 . 0 0 "[ . 1 . 2]" 1
1239 1 61 LEU HA 1 62 ASP H 1.800 . 3.500 3.525 3.350 3.594 0.094 7 0 "[ . 1 . 2]" 1
1240 2 61 LEU HA 2 62 ASP H 1.800 . 3.500 3.526 3.350 3.588 0.088 7 0 "[ . 1 . 2]" 1
1241 1 61 LEU QB 1 62 ASP H 1.800 . 3.500 2.755 2.162 3.759 0.259 1 0 "[ . 1 . 2]" 1
1242 2 61 LEU QB 2 62 ASP H 1.800 . 3.500 2.759 2.203 3.750 0.250 1 0 "[ . 1 . 2]" 1
1243 1 58 MET HA 1 62 ASP H 1.800 . 5.000 3.965 3.159 4.783 . 0 0 "[ . 1 . 2]" 1
1244 2 58 MET HA 2 62 ASP H 1.800 . 5.000 3.967 3.157 4.781 . 0 0 "[ . 1 . 2]" 1
1245 1 59 GLU HA 1 62 ASP H 1.800 . 4.200 3.672 3.262 4.472 0.272 6 0 "[ . 1 . 2]" 1
1246 2 59 GLU HA 2 62 ASP H 1.800 . 4.200 3.673 3.275 4.486 0.286 6 0 "[ . 1 . 2]" 1
1247 1 60 THR HA 1 62 ASP H 1.800 . 5.000 4.501 3.695 5.373 0.373 6 0 "[ . 1 . 2]" 1
1248 2 60 THR HA 2 62 ASP H 1.800 . 5.000 4.500 3.705 5.390 0.390 6 0 "[ . 1 . 2]" 1
1249 1 63 GLU H 1 63 GLU HA 1.800 . 2.900 2.893 2.848 2.978 0.078 13 0 "[ . 1 . 2]" 1
1250 2 63 GLU H 2 63 GLU HA 1.800 . 2.900 2.892 2.847 2.977 0.077 13 0 "[ . 1 . 2]" 1
1251 1 63 GLU H 1 63 GLU QB 1.800 . 2.900 2.342 2.252 2.476 . 0 0 "[ . 1 . 2]" 1
1252 2 63 GLU H 2 63 GLU QB 1.800 . 2.900 2.340 2.255 2.475 . 0 0 "[ . 1 . 2]" 1
1253 1 62 ASP H 1 63 GLU H 1.800 . 6.000 4.179 3.487 4.572 . 0 0 "[ . 1 . 2]" 1
1254 2 62 ASP H 2 63 GLU H 1.800 . 6.000 4.177 3.500 4.570 . 0 0 "[ . 1 . 2]" 1
1255 1 62 ASP HA 1 63 GLU H 1.800 . 2.900 2.315 2.170 2.702 . 0 0 "[ . 1 . 2]" 1
1256 2 62 ASP HA 2 63 GLU H 1.800 . 2.900 2.314 2.169 2.697 . 0 0 "[ . 1 . 2]" 1
1257 1 62 ASP QB 1 63 GLU H 1.800 . 5.000 3.768 3.277 4.063 . 0 0 "[ . 1 . 2]" 1
1258 2 62 ASP QB 2 63 GLU H 1.800 . 5.000 3.769 3.273 4.063 . 0 0 "[ . 1 . 2]" 1
1259 1 64 ASP H 1 64 ASP HA 1.800 . 2.900 2.935 2.836 2.988 0.088 13 0 "[ . 1 . 2]" 1
1260 2 64 ASP H 2 64 ASP HA 1.800 . 2.900 2.936 2.835 2.989 0.089 13 0 "[ . 1 . 2]" 1
1261 1 64 ASP H 1 64 ASP QB 1.800 . 3.500 2.652 2.353 2.871 . 0 0 "[ . 1 . 2]" 1
1262 2 64 ASP H 2 64 ASP QB 1.800 . 3.500 2.650 2.361 2.854 . 0 0 "[ . 1 . 2]" 1
1263 1 63 GLU H 1 64 ASP H 1.800 . 2.900 2.555 2.167 2.722 . 0 0 "[ . 1 . 2]" 1
1264 2 63 GLU H 2 64 ASP H 1.800 . 2.900 2.557 2.168 2.723 . 0 0 "[ . 1 . 2]" 1
1265 1 63 GLU HA 1 64 ASP H 1.800 . 3.500 3.545 3.476 3.590 0.090 17 0 "[ . 1 . 2]" 1
1266 2 63 GLU HA 2 64 ASP H 1.800 . 3.500 3.543 3.479 3.574 0.074 9 0 "[ . 1 . 2]" 1
1267 1 63 GLU QB 1 64 ASP H 1.800 . 2.900 2.636 2.489 2.953 0.053 5 0 "[ . 1 . 2]" 1
1268 2 63 GLU QB 2 64 ASP H 1.800 . 2.900 2.641 2.492 2.951 0.051 5 0 "[ . 1 . 2]" 1
1269 1 64 ASP H 1 65 GLY QA 1.800 . 5.000 4.380 4.196 4.636 . 0 0 "[ . 1 . 2]" 1
1270 2 64 ASP H 2 65 GLY QA 1.800 . 5.000 4.377 4.197 4.635 . 0 0 "[ . 1 . 2]" 1
1271 1 62 ASP HA 1 64 ASP H 1.800 . 5.000 3.658 3.242 3.984 . 0 0 "[ . 1 . 2]" 1
1272 2 62 ASP HA 2 64 ASP H 1.800 . 5.000 3.656 3.230 4.007 . 0 0 "[ . 1 . 2]" 1
1273 1 64 ASP H 1 65 GLY H 1.800 . 2.900 2.483 2.211 2.766 . 0 0 "[ . 1 . 2]" 1
1274 2 64 ASP H 2 65 GLY H 1.800 . 2.900 2.479 2.215 2.769 . 0 0 "[ . 1 . 2]" 1
1275 1 64 ASP HA 1 65 GLY H 1.800 . 3.500 3.386 3.144 3.581 0.081 8 0 "[ . 1 . 2]" 1
1276 2 64 ASP HA 2 65 GLY H 1.800 . 3.500 3.385 3.143 3.584 0.084 8 0 "[ . 1 . 2]" 1
1277 1 64 ASP QB 1 65 GLY H 1.800 . 5.000 3.625 2.506 3.988 . 0 0 "[ . 1 . 2]" 1
1278 2 64 ASP QB 2 65 GLY H 1.800 . 5.000 3.625 2.565 3.990 . 0 0 "[ . 1 . 2]" 1
1279 1 65 GLY H 1 66 ASP H 1.800 . 2.900 2.737 2.227 3.077 0.177 9 0 "[ . 1 . 2]" 1
1280 2 65 GLY H 2 66 ASP H 1.800 . 2.900 2.740 2.221 3.076 0.176 9 0 "[ . 1 . 2]" 1
1281 1 62 ASP HA 1 65 GLY H 1.800 . 5.000 3.841 3.298 4.016 . 0 0 "[ . 1 . 2]" 1
1282 2 62 ASP HA 2 65 GLY H 1.800 . 5.000 3.840 3.299 4.018 . 0 0 "[ . 1 . 2]" 1
1283 1 62 ASP QB 1 65 GLY H 1.800 . 6.000 2.897 2.075 4.094 . 0 0 "[ . 1 . 2]" 1
1284 2 62 ASP QB 2 65 GLY H 1.800 . 6.000 2.894 2.070 4.104 . 0 0 "[ . 1 . 2]" 1
1285 1 63 GLU H 1 65 GLY H 1.800 . 4.200 3.846 3.320 4.268 0.068 17 0 "[ . 1 . 2]" 1
1286 2 63 GLU H 2 65 GLY H 1.800 . 4.200 3.845 3.322 4.237 0.037 17 0 "[ . 1 . 2]" 1
1287 1 63 GLU HA 1 65 GLY H 1.800 . 5.000 4.053 3.617 4.896 . 0 0 "[ . 1 . 2]" 1
1288 2 63 GLU HA 2 65 GLY H 1.800 . 5.000 4.047 3.600 4.889 . 0 0 "[ . 1 . 2]" 1
1289 1 65 GLY H 1 67 GLY H 1.800 . 6.000 4.422 3.632 4.817 . 0 0 "[ . 1 . 2]" 1
1290 2 65 GLY H 2 67 GLY H 1.800 . 6.000 4.427 3.616 4.822 . 0 0 "[ . 1 . 2]" 1
1291 1 66 ASP H 1 66 ASP HA 1.800 . 2.900 2.900 2.349 2.969 0.069 5 0 "[ . 1 . 2]" 1
1292 2 66 ASP H 2 66 ASP HA 1.800 . 2.900 2.899 2.348 2.972 0.072 5 0 "[ . 1 . 2]" 1
1293 1 66 ASP H 1 66 ASP QB 1.800 . 2.900 2.549 2.277 2.872 . 0 0 "[ . 1 . 2]" 1
1294 2 66 ASP H 2 66 ASP QB 1.800 . 2.900 2.549 2.282 2.870 . 0 0 "[ . 1 . 2]" 1
1295 1 65 GLY QA 1 66 ASP H 1.800 . 2.900 2.752 2.583 2.906 0.006 20 0 "[ . 1 . 2]" 1
1296 2 65 GLY QA 2 66 ASP H 1.800 . 2.900 2.754 2.583 2.904 0.004 20 0 "[ . 1 . 2]" 1
1297 1 66 ASP H 1 67 GLY QA 1.800 . 5.000 4.443 4.237 4.766 . 0 0 "[ . 1 . 2]" 1
1298 2 66 ASP H 2 67 GLY QA 1.800 . 5.000 4.449 4.226 4.760 . 0 0 "[ . 1 . 2]" 1
1299 1 64 ASP QB 1 66 ASP H 1.800 . 5.000 3.800 2.544 4.465 . 0 0 "[ . 1 . 2]" 1
1300 2 64 ASP QB 2 66 ASP H 1.800 . 5.000 3.799 2.512 4.483 . 0 0 "[ . 1 . 2]" 1
1301 1 66 ASP H 1 67 GLY H 1.800 . 2.900 2.483 2.252 2.866 . 0 0 "[ . 1 . 2]" 1
1302 2 66 ASP H 2 67 GLY H 1.800 . 2.900 2.489 2.278 2.860 . 0 0 "[ . 1 . 2]" 1
1303 1 66 ASP HA 1 67 GLY H 1.800 . 5.000 3.391 2.998 3.562 . 0 0 "[ . 1 . 2]" 1
1304 2 66 ASP HA 2 67 GLY H 1.800 . 5.000 3.392 2.994 3.561 . 0 0 "[ . 1 . 2]" 1
1305 1 62 ASP QB 1 67 GLY H 1.800 . 5.000 3.755 2.853 5.294 0.294 6 0 "[ . 1 . 2]" 1
1306 2 62 ASP QB 2 67 GLY H 1.800 . 5.000 3.754 2.850 5.310 0.310 6 0 "[ . 1 . 2]" 1
1307 1 65 GLY QA 1 67 GLY H 1.800 . 5.000 3.162 2.911 3.907 . 0 0 "[ . 1 . 2]" 1
1308 2 65 GLY QA 2 67 GLY H 1.800 . 5.000 3.166 2.911 3.901 . 0 0 "[ . 1 . 2]" 1
1309 1 68 GLU H 1 68 GLU HA 1.800 . 2.900 2.987 2.961 3.007 0.107 15 0 "[ . 1 . 2]" 1
1310 2 68 GLU H 2 68 GLU HA 1.800 . 2.900 2.987 2.961 3.008 0.108 15 0 "[ . 1 . 2]" 1
1311 1 68 GLU H 1 68 GLU QB 1.800 . 2.900 2.788 2.478 3.208 0.308 14 0 "[ . 1 . 2]" 1
1312 2 68 GLU H 2 68 GLU QB 1.800 . 2.900 2.787 2.461 3.207 0.307 14 0 "[ . 1 . 2]" 1
1313 1 67 GLY H 1 68 GLU H 1.800 . 2.900 2.572 2.484 2.649 . 0 0 "[ . 1 . 2]" 1
1314 2 67 GLY H 2 68 GLU H 1.800 . 2.900 2.568 2.481 2.643 . 0 0 "[ . 1 . 2]" 1
1315 1 67 GLY QA 1 68 GLU H 1.800 . 2.900 2.926 2.821 2.948 0.048 5 0 "[ . 1 . 2]" 1
1316 2 67 GLY QA 2 68 GLU H 1.800 . 2.900 2.925 2.830 2.947 0.047 5 0 "[ . 1 . 2]" 1
1317 1 66 ASP H 1 68 GLU H 1.800 . 5.000 3.854 3.462 4.343 . 0 0 "[ . 1 . 2]" 1
1318 2 66 ASP H 2 68 GLU H 1.800 . 5.000 3.859 3.464 4.334 . 0 0 "[ . 1 . 2]" 1
1319 1 29 LYS HA 1 68 GLU HA 1.800 . 4.200 3.975 2.909 4.664 0.464 5 0 "[ . 1 . 2]" 1
1320 2 29 LYS HA 2 68 GLU HA 1.800 . 4.200 3.976 2.913 4.668 0.468 5 0 "[ . 1 . 2]" 1
1321 1 58 MET ME 1 68 GLU H 1.800 . 5.000 4.362 3.527 5.166 0.166 5 0 "[ . 1 . 2]" 1
1322 2 58 MET ME 2 68 GLU H 1.800 . 5.000 4.359 3.446 5.194 0.194 5 0 "[ . 1 . 2]" 1
1323 1 58 MET ME 1 68 GLU HA 1.800 . 4.200 3.258 2.262 4.312 0.112 6 0 "[ . 1 . 2]" 1
1324 2 58 MET ME 2 68 GLU HA 1.800 . 4.200 3.265 2.257 4.314 0.114 6 0 "[ . 1 . 2]" 1
1325 1 69 CYS H 1 69 CYS QB 1.800 . 3.500 2.576 2.255 3.126 . 0 0 "[ . 1 . 2]" 1
1326 2 69 CYS H 2 69 CYS QB 1.800 . 3.500 2.575 2.256 3.127 . 0 0 "[ . 1 . 2]" 1
1327 1 68 GLU H 1 69 CYS H 1.800 . 5.000 4.437 4.337 4.501 . 0 0 "[ . 1 . 2]" 1
1328 2 68 GLU H 2 69 CYS H 1.800 . 5.000 4.436 4.330 4.498 . 0 0 "[ . 1 . 2]" 1
1329 1 68 GLU HA 1 69 CYS H 1.800 . 2.900 2.327 2.211 2.485 . 0 0 "[ . 1 . 2]" 1
1330 2 68 GLU HA 2 69 CYS H 1.800 . 2.900 2.328 2.208 2.494 . 0 0 "[ . 1 . 2]" 1
1331 1 68 GLU QB 1 69 CYS H 1.800 . 3.500 2.821 2.406 3.688 0.188 6 0 "[ . 1 . 2]" 1
1332 2 68 GLU QB 2 69 CYS H 1.800 . 3.500 2.821 2.398 3.691 0.191 6 0 "[ . 1 . 2]" 1
1333 1 68 GLU QG 1 69 CYS H 1.800 . 5.000 3.811 2.361 4.520 . 0 0 "[ . 1 . 2]" 1
1334 2 68 GLU QG 2 69 CYS H 1.800 . 5.000 3.813 2.389 4.535 . 0 0 "[ . 1 . 2]" 1
1335 1 69 CYS H 1 70 ASP H 1.800 . 5.000 4.369 4.224 4.486 . 0 0 "[ . 1 . 2]" 1
1336 2 69 CYS H 2 70 ASP H 1.800 . 5.000 4.372 4.232 4.490 . 0 0 "[ . 1 . 2]" 1
1337 1 69 CYS HA 1 73 GLU QB 1.800 . 5.000 2.899 2.277 3.644 . 0 0 "[ . 1 . 2]" 1
1338 2 69 CYS HA 2 73 GLU QB 1.800 . 5.000 2.901 2.279 3.632 . 0 0 "[ . 1 . 2]" 1
1339 1 28 LEU QB 1 69 CYS H 1.800 . 5.000 3.799 2.868 5.004 0.004 15 0 "[ . 1 . 2]" 1
1340 2 28 LEU QB 2 69 CYS H 1.800 . 5.000 3.797 2.858 5.015 0.015 15 0 "[ . 1 . 2]" 1
1341 1 28 LEU QD 1 69 CYS H 1.800 . 6.000 4.776 3.959 5.647 . 0 0 "[ . 1 . 2]" 1
1342 2 28 LEU QD 2 69 CYS H 1.800 . 6.000 4.777 3.973 5.674 . 0 0 "[ . 1 . 2]" 1
1343 1 29 LYS HA 1 69 CYS H 1.800 . 4.200 4.007 2.703 4.602 0.402 12 0 "[ . 1 . 2]" 1
1344 2 29 LYS HA 2 69 CYS H 1.800 . 4.200 4.010 2.701 4.605 0.405 12 0 "[ . 1 . 2]" 1
1345 1 33 LEU QD 1 69 CYS H 1.800 . 6.000 4.966 4.107 5.891 . 0 0 "[ . 1 . 2]" 1
1346 2 33 LEU QD 2 69 CYS H 1.800 . 6.000 4.968 4.127 5.891 . 0 0 "[ . 1 . 2]" 1
1347 1 58 MET ME 1 69 CYS H 1.800 . 4.200 3.567 1.952 4.296 0.096 6 0 "[ . 1 . 2]" 1
1348 2 58 MET ME 2 69 CYS H 1.800 . 4.200 3.568 1.958 4.309 0.109 8 0 "[ . 1 . 2]" 1
1349 1 69 CYS HA 1 70 ASP H 1.800 . 2.900 2.181 2.160 2.233 . 0 0 "[ . 1 . 2]" 1
1350 2 69 CYS HA 2 70 ASP H 1.800 . 2.900 2.184 2.166 2.224 . 0 0 "[ . 1 . 2]" 1
1351 1 69 CYS QB 1 70 ASP H 1.800 . 5.000 3.547 3.122 3.931 . 0 0 "[ . 1 . 2]" 1
1352 2 69 CYS QB 2 70 ASP H 1.800 . 5.000 3.547 3.122 3.928 . 0 0 "[ . 1 . 2]" 1
1353 1 70 ASP H 1 71 PHE H 1.800 . 5.000 4.564 4.470 4.624 . 0 0 "[ . 1 . 2]" 1
1354 2 70 ASP H 2 71 PHE H 1.800 . 5.000 4.562 4.464 4.628 . 0 0 "[ . 1 . 2]" 1
1355 1 70 ASP H 1 73 GLU QB 1.800 . 3.500 2.225 1.908 3.466 . 0 0 "[ . 1 . 2]" 1
1356 2 70 ASP H 2 73 GLU QB 1.800 . 3.500 2.223 1.905 3.454 . 0 0 "[ . 1 . 2]" 1
1357 1 71 PHE H 1 71 PHE QB 1.800 . 2.900 2.239 2.049 2.280 . 0 0 "[ . 1 . 2]" 1
1358 2 71 PHE H 2 71 PHE QB 1.800 . 2.900 2.241 2.043 2.279 . 0 0 "[ . 1 . 2]" 1
1359 1 71 PHE HA 1 71 PHE QD 1.800 . 3.300 2.830 2.343 3.081 . 0 0 "[ . 1 . 2]" 1
1360 2 71 PHE HA 2 71 PHE QD 1.800 . 3.300 2.824 2.335 3.078 . 0 0 "[ . 1 . 2]" 1
1361 1 70 ASP HA 1 71 PHE H 1.800 . 2.900 2.546 2.342 2.656 . 0 0 "[ . 1 . 2]" 1
1362 2 70 ASP HA 2 71 PHE H 1.800 . 2.900 2.546 2.372 2.660 . 0 0 "[ . 1 . 2]" 1
1363 1 70 ASP QB 1 71 PHE H 1.800 . 2.900 2.344 1.919 3.082 0.182 2 0 "[ . 1 . 2]" 1
1364 2 70 ASP QB 2 71 PHE H 1.800 . 2.900 2.339 1.900 3.077 0.177 2 0 "[ . 1 . 2]" 1
1365 1 71 PHE HA 1 74 PHE QB 1.800 . 4.200 2.535 2.266 3.060 . 0 0 "[ . 1 . 2]" 1
1366 2 71 PHE HA 2 74 PHE QB 1.800 . 4.200 2.539 2.266 3.061 . 0 0 "[ . 1 . 2]" 1
1367 1 12 ILE QG 1 71 PHE QE 1.800 . 6.000 3.828 3.119 4.784 . 0 0 "[ . 1 . 2]" 1
1368 2 12 ILE QG 2 71 PHE QE 1.800 . 6.000 3.833 3.125 4.817 . 0 0 "[ . 1 . 2]" 1
1369 1 12 ILE QG 1 71 PHE HZ 1.800 . 5.000 3.436 2.831 5.049 0.049 11 0 "[ . 1 . 2]" 1
1370 2 12 ILE QG 2 71 PHE HZ 1.800 . 5.000 3.435 2.846 5.051 0.051 11 0 "[ . 1 . 2]" 1
1371 1 12 ILE MG 1 71 PHE QD 1.800 . 6.000 5.554 4.797 6.261 0.261 11 0 "[ . 1 . 2]" 1
1372 2 12 ILE MG 2 71 PHE QD 1.800 . 6.000 5.548 4.805 6.258 0.258 11 0 "[ . 1 . 2]" 1
1373 1 15 PHE QB 1 71 PHE QE 1.800 . 5.000 3.239 2.575 4.234 . 0 0 "[ . 1 . 2]" 1
1374 2 15 PHE QB 2 71 PHE QE 1.800 . 5.000 3.237 2.576 4.250 . 0 0 "[ . 1 . 2]" 1
1375 1 15 PHE QD 1 71 PHE QD 1.800 . 5.000 3.504 2.887 4.507 . 0 0 "[ . 1 . 2]" 1
1376 2 15 PHE QD 2 71 PHE QD 1.800 . 5.000 3.503 2.797 4.506 . 0 0 "[ . 1 . 2]" 1
1377 1 15 PHE QD 1 71 PHE QE 1.800 . 5.000 3.564 2.873 4.288 . 0 0 "[ . 1 . 2]" 1
1378 2 15 PHE QD 2 71 PHE QE 1.800 . 5.000 3.559 2.863 4.248 . 0 0 "[ . 1 . 2]" 1
1379 1 15 PHE QE 1 71 PHE H 1.800 . 5.000 4.836 4.026 5.305 0.305 10 0 "[ . 1 . 2]" 1
1380 2 15 PHE QE 2 71 PHE H 1.800 . 5.000 4.831 4.035 5.300 0.300 10 0 "[ . 1 . 2]" 1
1381 1 15 PHE HZ 1 71 PHE QD 1.800 . 6.000 3.437 2.798 4.544 . 0 0 "[ . 1 . 2]" 1
1382 2 15 PHE HZ 2 71 PHE QD 1.800 . 6.000 3.431 2.785 4.515 . 0 0 "[ . 1 . 2]" 1
1383 1 82 THR MG 2 71 PHE QE 1.800 . 5.000 2.862 2.118 4.129 . 0 0 "[ . 1 . 2]" 1
1384 1 71 PHE QE 2 82 THR MG 1.800 . 5.000 2.857 2.086 4.005 . 0 0 "[ . 1 . 2]" 1
1385 1 83 THR MG 2 71 PHE QD 1.800 . 5.000 3.871 2.737 4.599 . 0 0 "[ . 1 . 2]" 1
1386 1 71 PHE QD 2 83 THR MG 1.800 . 5.000 3.858 2.635 4.644 . 0 0 "[ . 1 . 2]" 1
1387 1 83 THR MG 2 71 PHE QE 1.800 . 5.000 3.979 2.822 5.216 0.216 11 0 "[ . 1 . 2]" 1
1388 1 71 PHE QE 2 83 THR MG 1.800 . 5.000 3.968 2.748 5.187 0.187 11 0 "[ . 1 . 2]" 1
1389 1 72 GLN H 1 72 GLN HA 1.800 . 2.900 2.851 2.838 2.891 . 0 0 "[ . 1 . 2]" 1
1390 2 72 GLN H 2 72 GLN HA 1.800 . 2.900 2.851 2.837 2.889 . 0 0 "[ . 1 . 2]" 1
1391 1 72 GLN H 1 72 GLN QB 1.800 . 2.900 2.368 2.255 2.800 . 0 0 "[ . 1 . 2]" 1
1392 2 72 GLN H 2 72 GLN QB 1.800 . 2.900 2.366 2.255 2.789 . 0 0 "[ . 1 . 2]" 1
1393 1 71 PHE H 1 72 GLN H 1.800 . 2.900 2.781 2.707 2.891 . 0 0 "[ . 1 . 2]" 1
1394 2 71 PHE H 2 72 GLN H 1.800 . 2.900 2.781 2.711 2.906 0.006 7 0 "[ . 1 . 2]" 1
1395 1 71 PHE HA 1 72 GLN H 1.800 . 3.500 3.571 3.545 3.591 0.091 7 0 "[ . 1 . 2]" 1
1396 2 71 PHE HA 2 72 GLN H 1.800 . 3.500 3.572 3.547 3.595 0.095 7 0 "[ . 1 . 2]" 1
1397 1 71 PHE QB 1 72 GLN H 1.800 . 3.500 2.510 2.297 2.655 . 0 0 "[ . 1 . 2]" 1
1398 2 71 PHE QB 2 72 GLN H 1.800 . 3.500 2.505 2.299 2.654 . 0 0 "[ . 1 . 2]" 1
1399 1 71 PHE QD 1 72 GLN H 1.800 . 5.000 3.426 2.891 4.578 . 0 0 "[ . 1 . 2]" 1
1400 2 71 PHE QD 2 72 GLN H 1.800 . 5.000 3.429 2.894 4.573 . 0 0 "[ . 1 . 2]" 1
1401 1 70 ASP QB 1 72 GLN H 1.800 . 5.000 2.878 2.666 3.298 . 0 0 "[ . 1 . 2]" 1
1402 2 70 ASP QB 2 72 GLN H 1.800 . 5.000 2.877 2.666 3.279 . 0 0 "[ . 1 . 2]" 1
1403 1 72 GLN HA 1 75 MET QB 1.800 . 4.200 3.155 2.742 3.845 . 0 0 "[ . 1 . 2]" 1
1404 2 72 GLN HA 2 75 MET QB 1.800 . 4.200 3.152 2.728 3.850 . 0 0 "[ . 1 . 2]" 1
1405 1 83 THR MG 2 72 GLN H 1.800 . 6.000 5.104 4.382 5.917 . 0 0 "[ . 1 . 2]" 1
1406 1 72 GLN H 2 83 THR MG 1.800 . 6.000 5.076 4.337 5.886 . 0 0 "[ . 1 . 2]" 1
1407 1 83 THR MG 2 72 GLN HA 1.800 . 5.000 3.692 2.460 4.761 . 0 0 "[ . 1 . 2]" 1
1408 1 72 GLN HA 2 83 THR MG 1.800 . 5.000 3.667 2.456 4.776 . 0 0 "[ . 1 . 2]" 1
1409 1 73 GLU H 1 73 GLU HA 1.800 . 2.900 2.871 2.844 2.895 . 0 0 "[ . 1 . 2]" 1
1410 2 73 GLU H 2 73 GLU HA 1.800 . 2.900 2.870 2.842 2.895 . 0 0 "[ . 1 . 2]" 1
1411 1 73 GLU H 1 73 GLU QB 1.800 . 2.900 2.396 2.276 2.986 0.086 5 0 "[ . 1 . 2]" 1
1412 2 73 GLU H 2 73 GLU QB 1.800 . 2.900 2.399 2.273 2.984 0.084 5 0 "[ . 1 . 2]" 1
1413 1 72 GLN H 1 73 GLU H 1.800 . 2.900 2.740 2.626 2.899 . 0 0 "[ . 1 . 2]" 1
1414 2 72 GLN H 2 73 GLU H 1.800 . 2.900 2.740 2.628 2.896 . 0 0 "[ . 1 . 2]" 1
1415 1 72 GLN HA 1 73 GLU H 1.800 . 4.200 3.561 3.525 3.600 . 0 0 "[ . 1 . 2]" 1
1416 2 72 GLN HA 2 73 GLU H 1.800 . 4.200 3.561 3.534 3.598 . 0 0 "[ . 1 . 2]" 1
1417 1 72 GLN QB 1 73 GLU H 1.800 . 2.900 2.650 2.369 3.357 0.457 12 0 "[ . 1 . 2]" 1
1418 2 72 GLN QB 2 73 GLU H 1.800 . 2.900 2.653 2.372 3.371 0.471 12 0 "[ . 1 . 2]" 1
1419 1 73 GLU H 1 76 ALA MB 1.800 . 5.000 4.902 4.562 5.082 0.082 6 0 "[ . 1 . 2]" 1
1420 2 73 GLU H 2 76 ALA MB 1.800 . 5.000 4.902 4.592 5.090 0.090 17 0 "[ . 1 . 2]" 1
1421 1 69 CYS HA 1 73 GLU H 1.800 . 6.000 5.200 4.727 5.793 . 0 0 "[ . 1 . 2]" 1
1422 2 69 CYS HA 2 73 GLU H 1.800 . 6.000 5.201 4.734 5.814 . 0 0 "[ . 1 . 2]" 1
1423 1 70 ASP H 1 73 GLU H 1.800 . 5.000 3.521 3.196 3.940 . 0 0 "[ . 1 . 2]" 1
1424 2 70 ASP H 2 73 GLU H 1.800 . 5.000 3.519 3.197 3.930 . 0 0 "[ . 1 . 2]" 1
1425 1 73 GLU HA 1 76 ALA MB 1.800 . 3.300 2.657 2.447 2.895 . 0 0 "[ . 1 . 2]" 1
1426 2 73 GLU HA 2 76 ALA MB 1.800 . 3.300 2.647 2.423 2.858 . 0 0 "[ . 1 . 2]" 1
1427 1 74 PHE H 1 74 PHE HA 1.800 . 2.900 2.845 2.838 2.853 . 0 0 "[ . 1 . 2]" 1
1428 2 74 PHE H 2 74 PHE HA 1.800 . 2.900 2.844 2.837 2.853 . 0 0 "[ . 1 . 2]" 1
1429 1 74 PHE H 1 74 PHE QB 1.800 . 2.900 2.265 2.233 2.290 . 0 0 "[ . 1 . 2]" 1
1430 2 74 PHE H 2 74 PHE QB 1.800 . 2.900 2.264 2.233 2.290 . 0 0 "[ . 1 . 2]" 1
1431 1 74 PHE H 1 74 PHE QD 1.800 . 4.200 4.195 4.124 4.213 0.013 11 0 "[ . 1 . 2]" 1
1432 2 74 PHE H 2 74 PHE QD 1.800 . 4.200 4.193 4.130 4.213 0.013 12 0 "[ . 1 . 2]" 1
1433 1 74 PHE HA 1 74 PHE QD 1.800 . 4.200 2.726 2.356 2.949 . 0 0 "[ . 1 . 2]" 1
1434 2 74 PHE HA 2 74 PHE QD 1.800 . 4.200 2.723 2.373 2.924 . 0 0 "[ . 1 . 2]" 1
1435 1 73 GLU H 1 74 PHE H 1.800 . 2.900 2.631 2.525 2.738 . 0 0 "[ . 1 . 2]" 1
1436 2 73 GLU H 2 74 PHE H 1.800 . 2.900 2.631 2.520 2.742 . 0 0 "[ . 1 . 2]" 1
1437 1 73 GLU HA 1 74 PHE H 1.800 . 3.500 3.537 3.480 3.557 0.057 13 0 "[ . 1 . 2]" 1
1438 2 73 GLU HA 2 74 PHE H 1.800 . 3.500 3.537 3.483 3.559 0.059 13 0 "[ . 1 . 2]" 1
1439 1 73 GLU QB 1 74 PHE H 1.800 . 3.500 2.685 2.559 3.216 . 0 0 "[ . 1 . 2]" 1
1440 2 73 GLU QB 2 74 PHE H 1.800 . 3.500 2.687 2.556 3.200 . 0 0 "[ . 1 . 2]" 1
1441 1 69 CYS QB 1 74 PHE H 1.800 . 6.000 4.424 3.681 5.277 . 0 0 "[ . 1 . 2]" 1
1442 2 69 CYS QB 2 74 PHE H 1.800 . 6.000 4.424 3.673 5.297 . 0 0 "[ . 1 . 2]" 1
1443 1 71 PHE HA 1 74 PHE H 1.800 . 4.200 3.374 3.219 3.674 . 0 0 "[ . 1 . 2]" 1
1444 2 71 PHE HA 2 74 PHE H 1.800 . 4.200 3.377 3.215 3.677 . 0 0 "[ . 1 . 2]" 1
1445 1 72 GLN H 1 74 PHE H 1.800 . 5.000 4.076 3.917 4.192 . 0 0 "[ . 1 . 2]" 1
1446 2 72 GLN H 2 74 PHE H 1.800 . 5.000 4.078 3.911 4.198 . 0 0 "[ . 1 . 2]" 1
1447 1 72 GLN HA 1 74 PHE H 1.800 . 5.000 4.366 4.219 4.498 . 0 0 "[ . 1 . 2]" 1
1448 2 72 GLN HA 2 74 PHE H 1.800 . 5.000 4.365 4.217 4.497 . 0 0 "[ . 1 . 2]" 1
1449 1 74 PHE HA 1 77 PHE QB 1.800 . 4.200 2.940 2.571 3.187 . 0 0 "[ . 1 . 2]" 1
1450 2 74 PHE HA 2 77 PHE QB 1.800 . 4.200 2.943 2.576 3.194 . 0 0 "[ . 1 . 2]" 1
1451 1 74 PHE HA 1 78 VAL MG2 1.800 . 5.000 4.719 4.250 4.990 . 0 0 "[ . 1 . 2]" 1
1452 2 74 PHE HA 2 78 VAL MG2 1.800 . 5.000 4.718 4.171 5.006 0.006 5 0 "[ . 1 . 2]" 1
1453 1 74 PHE QE 1 78 VAL MG2 1.800 . 5.000 3.016 2.286 3.823 . 0 0 "[ . 1 . 2]" 1
1454 2 74 PHE QE 2 78 VAL MG2 1.800 . 5.000 3.024 2.323 3.828 . 0 0 "[ . 1 . 2]" 1
1455 1 74 PHE HZ 1 78 VAL MG2 1.800 . 5.000 3.584 3.235 4.559 . 0 0 "[ . 1 . 2]" 1
1456 2 74 PHE HZ 2 78 VAL MG2 1.800 . 5.000 3.580 3.231 4.554 . 0 0 "[ . 1 . 2]" 1
1457 1 11 LEU QD 1 74 PHE HZ 1.800 . 5.000 3.977 2.752 5.222 0.222 16 0 "[ . 1 . 2]" 1
1458 2 11 LEU QD 2 74 PHE HZ 1.800 . 5.000 3.980 2.773 5.235 0.235 16 0 "[ . 1 . 2]" 1
1459 1 14 VAL MG1 1 74 PHE QE 1.800 . 6.000 5.095 4.410 5.596 . 0 0 "[ . 1 . 2]" 1
1460 2 14 VAL MG1 2 74 PHE QE 1.800 . 6.000 5.101 4.395 5.628 . 0 0 "[ . 1 . 2]" 1
1461 1 15 PHE QB 1 74 PHE QE 1.800 . 5.000 4.102 3.661 4.957 . 0 0 "[ . 1 . 2]" 1
1462 2 15 PHE QB 2 74 PHE QE 1.800 . 5.000 4.096 3.631 4.959 . 0 0 "[ . 1 . 2]" 1
1463 1 15 PHE QE 1 74 PHE H 1.800 . 6.000 5.134 4.366 6.221 0.221 12 0 "[ . 1 . 2]" 1
1464 2 15 PHE QE 2 74 PHE H 1.800 . 6.000 5.129 4.346 6.226 0.226 12 0 "[ . 1 . 2]" 1
1465 1 28 LEU QD 1 74 PHE H 1.800 . 6.000 4.933 4.043 6.030 0.030 20 0 "[ . 1 . 2]" 1
1466 2 28 LEU QD 2 74 PHE H 1.800 . 6.000 4.933 4.007 6.015 0.015 17 0 "[ . 1 . 2]" 1
1467 1 28 LEU QD 1 74 PHE HA 1.800 . 6.000 4.540 3.475 5.899 . 0 0 "[ . 1 . 2]" 1
1468 2 28 LEU QD 2 74 PHE HA 1.800 . 6.000 4.534 3.481 5.873 . 0 0 "[ . 1 . 2]" 1
1469 1 28 LEU QD 1 74 PHE QD 1.800 . 4.200 2.920 2.100 4.294 0.094 20 0 "[ . 1 . 2]" 1
1470 2 28 LEU QD 2 74 PHE QD 1.800 . 4.200 2.918 2.106 4.306 0.106 20 0 "[ . 1 . 2]" 1
1471 1 36 LEU QD 1 74 PHE QD 1.800 . 5.000 3.878 3.227 4.888 . 0 0 "[ . 1 . 2]" 1
1472 2 36 LEU QD 2 74 PHE QD 1.800 . 5.000 3.877 3.224 4.884 . 0 0 "[ . 1 . 2]" 1
1473 1 36 LEU QD 1 74 PHE HZ 1.800 . 5.000 3.192 2.525 4.026 . 0 0 "[ . 1 . 2]" 1
1474 2 36 LEU QD 2 74 PHE HZ 1.800 . 5.000 3.194 2.542 4.035 . 0 0 "[ . 1 . 2]" 1
1475 1 61 LEU QD 1 74 PHE HA 1.800 . 6.000 4.214 3.137 5.734 . 0 0 "[ . 1 . 2]" 1
1476 2 61 LEU QD 2 74 PHE HA 1.800 . 6.000 4.210 3.117 5.704 . 0 0 "[ . 1 . 2]" 1
1477 1 4 LEU QD 2 74 PHE QE 1.800 . 5.000 3.764 2.952 5.296 0.296 15 0 "[ . 1 . 2]" 1
1478 1 74 PHE QE 2 4 LEU QD 1.800 . 5.000 3.780 2.835 5.266 0.266 15 0 "[ . 1 . 2]" 1
1479 1 4 LEU QD 2 74 PHE HZ 1.800 . 5.000 3.301 2.499 4.848 . 0 0 "[ . 1 . 2]" 1
1480 1 74 PHE HZ 2 4 LEU QD 1.800 . 5.000 3.313 2.356 4.811 . 0 0 "[ . 1 . 2]" 1
1481 1 75 MET H 1 75 MET HA 1.800 . 2.900 2.853 2.842 2.879 . 0 0 "[ . 1 . 2]" 1
1482 2 75 MET H 2 75 MET HA 1.800 . 2.900 2.852 2.843 2.877 . 0 0 "[ . 1 . 2]" 1
1483 1 75 MET H 1 75 MET QB 1.800 . 2.900 2.300 2.082 2.515 . 0 0 "[ . 1 . 2]" 1
1484 2 75 MET H 2 75 MET QB 1.800 . 2.900 2.300 2.080 2.509 . 0 0 "[ . 1 . 2]" 1
1485 1 74 PHE H 1 75 MET H 1.800 . 2.900 2.756 2.685 2.815 . 0 0 "[ . 1 . 2]" 1
1486 2 74 PHE H 2 75 MET H 1.800 . 2.900 2.754 2.684 2.816 . 0 0 "[ . 1 . 2]" 1
1487 1 74 PHE HA 1 75 MET H 1.800 . 3.500 3.564 3.547 3.587 0.087 17 0 "[ . 1 . 2]" 1
1488 2 74 PHE HA 2 75 MET H 1.800 . 3.500 3.562 3.546 3.579 0.079 11 0 "[ . 1 . 2]" 1
1489 1 74 PHE QB 1 75 MET H 1.800 . 2.900 2.518 2.377 2.648 . 0 0 "[ . 1 . 2]" 1
1490 2 74 PHE QB 2 75 MET H 1.800 . 2.900 2.518 2.367 2.662 . 0 0 "[ . 1 . 2]" 1
1491 1 74 PHE QD 1 75 MET H 1.800 . 4.200 3.348 2.957 3.734 . 0 0 "[ . 1 . 2]" 1
1492 2 74 PHE QD 2 75 MET H 1.800 . 4.200 3.349 2.956 3.740 . 0 0 "[ . 1 . 2]" 1
1493 1 71 PHE HA 1 75 MET H 1.800 . 5.000 4.294 3.954 4.699 . 0 0 "[ . 1 . 2]" 1
1494 2 71 PHE HA 2 75 MET H 1.800 . 5.000 4.295 3.965 4.705 . 0 0 "[ . 1 . 2]" 1
1495 1 72 GLN HA 1 75 MET H 1.800 . 4.200 3.599 3.332 3.858 . 0 0 "[ . 1 . 2]" 1
1496 2 72 GLN HA 2 75 MET H 1.800 . 4.200 3.599 3.370 3.861 . 0 0 "[ . 1 . 2]" 1
1497 1 73 GLU H 1 75 MET H 1.800 . 5.000 4.290 4.059 4.523 . 0 0 "[ . 1 . 2]" 1
1498 2 73 GLU H 2 75 MET H 1.800 . 5.000 4.289 4.058 4.520 . 0 0 "[ . 1 . 2]" 1
1499 1 73 GLU HA 1 75 MET H 1.800 . 5.000 4.367 4.219 4.616 . 0 0 "[ . 1 . 2]" 1
1500 2 73 GLU HA 2 75 MET H 1.800 . 5.000 4.367 4.225 4.618 . 0 0 "[ . 1 . 2]" 1
1501 1 75 MET H 1 78 VAL MG2 1.800 . 5.000 5.053 4.801 5.292 0.292 15 0 "[ . 1 . 2]" 1
1502 2 75 MET H 2 78 VAL MG2 1.800 . 5.000 5.051 4.770 5.250 0.250 15 0 "[ . 1 . 2]" 1
1503 1 75 MET HA 1 78 VAL HB 1.800 . 4.200 3.170 2.722 3.505 . 0 0 "[ . 1 . 2]" 1
1504 2 75 MET HA 2 78 VAL HB 1.800 . 4.200 3.163 2.698 3.493 . 0 0 "[ . 1 . 2]" 1
1505 1 82 THR HB 2 75 MET ME 1.800 . 5.000 3.598 2.464 4.972 . 0 0 "[ . 1 . 2]" 1
1506 1 75 MET ME 2 82 THR HB 1.800 . 5.000 3.589 2.428 4.998 . 0 0 "[ . 1 . 2]" 1
1507 1 75 MET ME 1 78 VAL HB 1.800 . 5.000 3.362 2.359 4.629 . 0 0 "[ . 1 . 2]" 1
1508 1 78 VAL HB 2 75 MET ME 1.800 . 5.000 3.355 2.280 4.586 . 0 0 "[ . 1 . 2]" 1
1509 1 75 MET ME 1 78 VAL MG1 1.800 . 3.300 2.649 2.191 3.616 0.316 10 0 "[ . 1 . 2]" 1
1510 1 78 VAL MG1 2 75 MET ME 1.800 . 3.300 2.665 2.176 3.641 0.341 10 0 "[ . 1 . 2]" 1
1511 1 75 MET ME 1 78 VAL MG2 1.800 . 5.000 3.858 3.057 4.500 . 0 0 "[ . 1 . 2]" 1
1512 1 78 VAL MG2 2 75 MET ME 1.800 . 5.000 3.853 3.069 4.490 . 0 0 "[ . 1 . 2]" 1
1513 1 75 MET HA 1 79 SER QB 1.800 . 5.000 4.839 4.474 5.170 0.170 1 0 "[ . 1 . 2]" 1
1514 1 79 SER QB 2 75 MET HA 1.800 . 5.000 4.841 4.474 5.185 0.185 1 0 "[ . 1 . 2]" 1
1515 1 76 ALA H 1 76 ALA HA 1.800 . 2.900 2.843 2.831 2.860 . 0 0 "[ . 1 . 2]" 1
1516 2 76 ALA H 2 76 ALA HA 1.800 . 2.900 2.844 2.834 2.860 . 0 0 "[ . 1 . 2]" 1
1517 1 76 ALA H 1 76 ALA MB 1.800 . 2.900 2.234 2.193 2.264 . 0 0 "[ . 1 . 2]" 1
1518 2 76 ALA H 2 76 ALA MB 1.800 . 2.900 2.230 2.196 2.261 . 0 0 "[ . 1 . 2]" 1
1519 1 75 MET H 1 76 ALA H 1.800 . 2.900 2.686 2.641 2.728 . 0 0 "[ . 1 . 2]" 1
1520 2 75 MET H 2 76 ALA H 1.800 . 2.900 2.689 2.650 2.750 . 0 0 "[ . 1 . 2]" 1
1521 1 75 MET QB 1 76 ALA H 1.800 . 3.500 2.586 2.517 2.673 . 0 0 "[ . 1 . 2]" 1
1522 2 75 MET QB 2 76 ALA H 1.800 . 3.500 2.586 2.517 2.673 . 0 0 "[ . 1 . 2]" 1
1523 1 72 GLN HA 1 76 ALA H 1.800 . 5.000 4.624 4.088 4.954 . 0 0 "[ . 1 . 2]" 1
1524 2 72 GLN HA 2 76 ALA H 1.800 . 5.000 4.627 4.091 4.962 . 0 0 "[ . 1 . 2]" 1
1525 1 73 GLU HA 1 76 ALA H 1.800 . 4.200 3.322 3.161 3.466 . 0 0 "[ . 1 . 2]" 1
1526 2 73 GLU HA 2 76 ALA H 1.800 . 4.200 3.323 3.169 3.461 . 0 0 "[ . 1 . 2]" 1
1527 1 74 PHE HA 1 76 ALA H 1.800 . 5.000 4.328 4.214 4.532 . 0 0 "[ . 1 . 2]" 1
1528 2 74 PHE HA 2 76 ALA H 1.800 . 5.000 4.326 4.182 4.535 . 0 0 "[ . 1 . 2]" 1
1529 1 76 ALA HA 1 79 SER QB 1.800 . 4.200 2.922 2.352 3.710 . 0 0 "[ . 1 . 2]" 1
1530 2 76 ALA HA 2 79 SER QB 1.800 . 4.200 2.922 2.353 3.734 . 0 0 "[ . 1 . 2]" 1
1531 1 61 LEU QD 1 76 ALA H 1.800 . 6.000 4.881 4.236 5.857 . 0 0 "[ . 1 . 2]" 1
1532 2 61 LEU QD 2 76 ALA H 1.800 . 6.000 4.875 4.236 5.822 . 0 0 "[ . 1 . 2]" 1
1533 1 61 LEU QD 1 76 ALA MB 1.800 . 4.200 3.042 2.366 3.984 . 0 0 "[ . 1 . 2]" 1
1534 2 61 LEU QD 2 76 ALA MB 1.800 . 4.200 3.036 2.375 3.960 . 0 0 "[ . 1 . 2]" 1
1535 1 77 PHE H 1 77 PHE HA 1.800 . 2.900 2.843 2.835 2.852 . 0 0 "[ . 1 . 2]" 1
1536 2 77 PHE H 2 77 PHE HA 1.800 . 2.900 2.843 2.834 2.852 . 0 0 "[ . 1 . 2]" 1
1537 1 77 PHE H 1 77 PHE QB 1.800 . 2.900 2.263 2.150 2.290 . 0 0 "[ . 1 . 2]" 1
1538 2 77 PHE H 2 77 PHE QB 1.800 . 2.900 2.262 2.146 2.293 . 0 0 "[ . 1 . 2]" 1
1539 1 77 PHE HA 1 77 PHE QD 1.800 . 3.300 2.913 2.726 3.095 . 0 0 "[ . 1 . 2]" 1
1540 2 77 PHE HA 2 77 PHE QD 1.800 . 3.300 2.912 2.712 3.090 . 0 0 "[ . 1 . 2]" 1
1541 1 76 ALA H 1 77 PHE H 1.800 . 2.900 2.739 2.629 2.788 . 0 0 "[ . 1 . 2]" 1
1542 2 76 ALA H 2 77 PHE H 1.800 . 2.900 2.741 2.630 2.792 . 0 0 "[ . 1 . 2]" 1
1543 1 76 ALA HA 1 77 PHE H 1.800 . 3.500 3.553 3.525 3.571 0.071 2 0 "[ . 1 . 2]" 1
1544 2 76 ALA HA 2 77 PHE H 1.800 . 3.500 3.553 3.527 3.572 0.072 2 0 "[ . 1 . 2]" 1
1545 1 76 ALA MB 1 77 PHE H 1.800 . 2.900 2.561 2.439 2.655 . 0 0 "[ . 1 . 2]" 1
1546 2 76 ALA MB 2 77 PHE H 1.800 . 2.900 2.566 2.476 2.624 . 0 0 "[ . 1 . 2]" 1
1547 1 74 PHE HA 1 77 PHE H 1.800 . 4.200 3.414 3.185 3.746 . 0 0 "[ . 1 . 2]" 1
1548 2 74 PHE HA 2 77 PHE H 1.800 . 4.200 3.414 3.191 3.763 . 0 0 "[ . 1 . 2]" 1
1549 1 75 MET H 1 77 PHE H 1.800 . 5.000 4.220 4.048 4.335 . 0 0 "[ . 1 . 2]" 1
1550 2 75 MET H 2 77 PHE H 1.800 . 5.000 4.225 4.053 4.340 . 0 0 "[ . 1 . 2]" 1
1551 1 75 MET HA 1 77 PHE H 1.800 . 5.000 4.292 4.177 4.471 . 0 0 "[ . 1 . 2]" 1
1552 2 75 MET HA 2 77 PHE H 1.800 . 5.000 4.298 4.193 4.482 . 0 0 "[ . 1 . 2]" 1
1553 1 77 PHE QD 1 78 VAL MG2 1.800 . 5.000 2.952 2.573 4.001 . 0 0 "[ . 1 . 2]" 1
1554 2 77 PHE QD 2 78 VAL MG2 1.800 . 5.000 2.951 2.439 4.015 . 0 0 "[ . 1 . 2]" 1
1555 1 77 PHE HA 1 80 MET QB 1.800 . 4.200 2.936 2.553 3.380 . 0 0 "[ . 1 . 2]" 1
1556 2 77 PHE HA 2 80 MET QB 1.800 . 4.200 2.929 2.559 3.355 . 0 0 "[ . 1 . 2]" 1
1557 1 77 PHE QD 1 81 VAL MG2 1.800 . 5.000 3.387 2.576 3.857 . 0 0 "[ . 1 . 2]" 1
1558 2 77 PHE QD 2 81 VAL MG2 1.800 . 5.000 3.387 2.608 3.899 . 0 0 "[ . 1 . 2]" 1
1559 1 77 PHE QE 1 81 VAL MG2 1.800 . 5.000 2.697 2.332 3.186 . 0 0 "[ . 1 . 2]" 1
1560 2 77 PHE QE 2 81 VAL MG2 1.800 . 5.000 2.697 2.286 3.230 . 0 0 "[ . 1 . 2]" 1
1561 1 37 ILE MD 1 77 PHE QE 1.800 . 5.000 3.891 2.990 5.115 0.115 5 0 "[ . 1 . 2]" 1
1562 2 37 ILE MD 2 77 PHE QE 1.800 . 5.000 3.908 3.023 5.140 0.140 5 0 "[ . 1 . 2]" 1
1563 1 37 ILE MD 1 77 PHE HZ 1.800 . 5.000 3.759 2.609 4.965 . 0 0 "[ . 1 . 2]" 1
1564 2 37 ILE MD 2 77 PHE HZ 1.800 . 5.000 3.760 2.518 4.998 . 0 0 "[ . 1 . 2]" 1
1565 1 41 LEU QD 1 77 PHE QE 1.800 . 5.000 3.142 2.299 4.091 . 0 0 "[ . 1 . 2]" 1
1566 2 41 LEU QD 2 77 PHE QE 1.800 . 5.000 3.141 2.280 4.082 . 0 0 "[ . 1 . 2]" 1
1567 1 41 LEU QD 1 77 PHE HZ 1.800 . 5.000 4.172 3.028 5.099 0.099 18 0 "[ . 1 . 2]" 1
1568 2 41 LEU QD 2 77 PHE HZ 1.800 . 5.000 4.167 3.020 5.132 0.132 18 0 "[ . 1 . 2]" 1
1569 1 45 LEU QD 1 77 PHE HZ 1.800 . 5.000 3.207 2.234 5.042 0.042 3 0 "[ . 1 . 2]" 1
1570 2 45 LEU QD 2 77 PHE HZ 1.800 . 5.000 3.214 2.220 5.052 0.052 3 0 "[ . 1 . 2]" 1
1571 1 57 VAL MG1 1 77 PHE QE 1.800 . 5.000 3.040 2.180 4.318 . 0 0 "[ . 1 . 2]" 1
1572 2 57 VAL MG1 2 77 PHE QE 1.800 . 5.000 3.041 2.209 4.305 . 0 0 "[ . 1 . 2]" 1
1573 1 57 VAL MG1 1 77 PHE HZ 1.800 . 5.000 4.410 2.515 5.116 0.116 8 0 "[ . 1 . 2]" 1
1574 2 57 VAL MG1 2 77 PHE HZ 1.800 . 5.000 4.411 2.492 5.115 0.115 13 0 "[ . 1 . 2]" 1
1575 1 61 LEU QD 1 77 PHE H 1.800 . 4.200 3.387 2.756 4.068 . 0 0 "[ . 1 . 2]" 1
1576 2 61 LEU QD 2 77 PHE H 1.800 . 4.200 3.381 2.737 4.026 . 0 0 "[ . 1 . 2]" 1
1577 1 61 LEU QD 1 77 PHE QD 1.800 . 3.300 2.315 2.012 3.201 . 0 0 "[ . 1 . 2]" 1
1578 2 61 LEU QD 2 77 PHE QD 1.800 . 3.300 2.322 2.016 3.200 . 0 0 "[ . 1 . 2]" 1
1579 1 78 VAL H 1 78 VAL HA 1.800 . 2.900 2.858 2.845 2.883 . 0 0 "[ . 1 . 2]" 1
1580 2 78 VAL H 2 78 VAL HA 1.800 . 2.900 2.857 2.841 2.884 . 0 0 "[ . 1 . 2]" 1
1581 1 78 VAL H 1 78 VAL HB 1.800 . 2.900 2.454 2.396 2.533 . 0 0 "[ . 1 . 2]" 1
1582 2 78 VAL H 2 78 VAL HB 1.800 . 2.900 2.450 2.392 2.531 . 0 0 "[ . 1 . 2]" 1
1583 1 78 VAL H 1 78 VAL MG2 1.800 . 2.900 2.180 1.980 2.289 . 0 0 "[ . 1 . 2]" 1
1584 2 78 VAL H 2 78 VAL MG2 1.800 . 2.900 2.189 1.976 2.279 . 0 0 "[ . 1 . 2]" 1
1585 1 78 VAL HA 1 78 VAL MG1 1.800 . 2.700 2.388 2.297 2.456 . 0 0 "[ . 1 . 2]" 1
1586 2 78 VAL HA 2 78 VAL MG1 1.800 . 2.700 2.391 2.298 2.450 . 0 0 "[ . 1 . 2]" 1
1587 1 78 VAL HA 1 78 VAL MG2 1.800 . 2.700 2.309 2.239 2.425 . 0 0 "[ . 1 . 2]" 1
1588 2 78 VAL HA 2 78 VAL MG2 1.800 . 2.700 2.303 2.248 2.388 . 0 0 "[ . 1 . 2]" 1
1589 1 77 PHE H 1 78 VAL H 1.800 . 2.900 2.786 2.723 2.851 . 0 0 "[ . 1 . 2]" 1
1590 2 77 PHE H 2 78 VAL H 1.800 . 2.900 2.784 2.718 2.854 . 0 0 "[ . 1 . 2]" 1
1591 1 77 PHE HA 1 78 VAL H 1.800 . 4.200 3.570 3.547 3.590 . 0 0 "[ . 1 . 2]" 1
1592 2 77 PHE HA 2 78 VAL H 1.800 . 4.200 3.570 3.545 3.594 . 0 0 "[ . 1 . 2]" 1
1593 1 77 PHE QB 1 78 VAL H 1.800 . 2.900 2.460 2.293 2.633 . 0 0 "[ . 1 . 2]" 1
1594 2 77 PHE QB 2 78 VAL H 1.800 . 2.900 2.460 2.288 2.635 . 0 0 "[ . 1 . 2]" 1
1595 1 77 PHE QD 1 78 VAL H 1.800 . 3.500 3.259 2.980 3.858 0.358 3 0 "[ . 1 . 2]" 1
1596 2 77 PHE QD 2 78 VAL H 1.800 . 3.500 3.255 2.938 3.856 0.356 3 0 "[ . 1 . 2]" 1
1597 1 74 PHE HA 1 78 VAL H 1.800 . 5.000 4.675 4.383 4.883 . 0 0 "[ . 1 . 2]" 1
1598 2 74 PHE HA 2 78 VAL H 1.800 . 5.000 4.673 4.387 4.867 . 0 0 "[ . 1 . 2]" 1
1599 1 74 PHE QD 1 78 VAL H 1.800 . 6.000 4.962 4.515 5.368 . 0 0 "[ . 1 . 2]" 1
1600 2 74 PHE QD 2 78 VAL H 1.800 . 6.000 4.963 4.525 5.370 . 0 0 "[ . 1 . 2]" 1
1601 1 74 PHE QD 1 78 VAL MG2 1.800 . 6.000 3.706 2.994 4.083 . 0 0 "[ . 1 . 2]" 1
1602 2 74 PHE QD 2 78 VAL MG2 1.800 . 6.000 3.708 3.021 4.088 . 0 0 "[ . 1 . 2]" 1
1603 1 75 MET HA 1 78 VAL H 1.800 . 4.200 3.514 3.356 3.704 . 0 0 "[ . 1 . 2]" 1
1604 2 75 MET HA 2 78 VAL H 1.800 . 4.200 3.519 3.366 3.715 . 0 0 "[ . 1 . 2]" 1
1605 1 75 MET HA 1 78 VAL MG1 1.800 . 5.000 4.502 4.105 4.778 . 0 0 "[ . 1 . 2]" 1
1606 2 75 MET HA 2 78 VAL MG1 1.800 . 5.000 4.494 4.064 4.779 . 0 0 "[ . 1 . 2]" 1
1607 1 75 MET HA 1 78 VAL MG2 1.800 . 4.200 3.216 2.820 3.479 . 0 0 "[ . 1 . 2]" 1
1608 2 75 MET HA 2 78 VAL MG2 1.800 . 4.200 3.217 2.876 3.475 . 0 0 "[ . 1 . 2]" 1
1609 1 76 ALA H 1 78 VAL H 1.800 . 5.000 4.393 4.262 4.564 . 0 0 "[ . 1 . 2]" 1
1610 2 76 ALA H 2 78 VAL H 1.800 . 5.000 4.391 4.250 4.569 . 0 0 "[ . 1 . 2]" 1
1611 1 76 ALA HA 1 78 VAL H 1.800 . 5.000 4.476 4.277 4.644 . 0 0 "[ . 1 . 2]" 1
1612 2 76 ALA HA 2 78 VAL H 1.800 . 5.000 4.474 4.272 4.630 . 0 0 "[ . 1 . 2]" 1
1613 1 78 VAL HA 1 81 VAL HB 1.800 . 3.300 3.075 2.689 3.442 0.142 12 0 "[ . 1 . 2]" 1
1614 2 78 VAL HA 2 81 VAL HB 1.800 . 3.300 3.077 2.686 3.433 0.133 12 0 "[ . 1 . 2]" 1
1615 1 78 VAL MG2 1 81 VAL HB 1.800 . 5.000 4.722 4.472 5.107 0.107 12 0 "[ . 1 . 2]" 1
1616 2 78 VAL MG2 2 81 VAL HB 1.800 . 5.000 4.717 4.466 5.030 0.030 12 0 "[ . 1 . 2]" 1
1617 1 78 VAL HA 1 81 VAL MG1 1.800 . 5.000 4.399 3.898 4.762 . 0 0 "[ . 1 . 2]" 1
1618 2 78 VAL HA 2 81 VAL MG1 1.800 . 5.000 4.400 3.885 4.752 . 0 0 "[ . 1 . 2]" 1
1619 1 78 VAL HA 1 81 VAL MG2 1.800 . 4.200 3.461 3.061 3.835 . 0 0 "[ . 1 . 2]" 1
1620 2 78 VAL HA 2 81 VAL MG2 1.800 . 4.200 3.466 3.006 3.874 . 0 0 "[ . 1 . 2]" 1
1621 1 11 LEU QD 1 78 VAL MG2 1.800 . 3.300 2.968 2.440 3.398 0.098 11 0 "[ . 1 . 2]" 1
1622 2 11 LEU QD 2 78 VAL MG2 1.800 . 3.300 2.953 2.365 3.389 0.089 20 0 "[ . 1 . 2]" 1
1623 1 4 LEU QD 2 78 VAL MG1 1.800 . 5.000 4.205 3.548 5.116 0.116 11 0 "[ . 1 . 2]" 1
1624 1 78 VAL MG1 2 4 LEU QD 1.800 . 5.000 4.192 3.612 5.106 0.106 11 0 "[ . 1 . 2]" 1
1625 1 4 LEU QD 2 78 VAL MG2 1.800 . 4.200 3.570 2.737 4.499 0.299 15 0 "[ . 1 . 2]" 1
1626 1 78 VAL MG2 2 4 LEU QD 1.800 . 4.200 3.562 2.719 4.448 0.248 15 0 "[ . 1 . 2]" 1
1627 1 8 MET HA 2 78 VAL MG1 1.800 . 6.000 4.654 4.081 5.575 . 0 0 "[ . 1 . 2]" 1
1628 1 78 VAL MG1 2 8 MET HA 1.800 . 6.000 4.656 4.139 5.455 . 0 0 "[ . 1 . 2]" 1
1629 1 8 MET QG 2 78 VAL MG1 1.800 . 5.000 3.667 2.692 4.839 . 0 0 "[ . 1 . 2]" 1
1630 1 78 VAL MG1 2 8 MET QG 1.800 . 5.000 3.671 2.711 4.829 . 0 0 "[ . 1 . 2]" 1
1631 1 8 MET ME 2 78 VAL MG2 1.800 . 5.000 3.882 2.193 5.155 0.155 19 0 "[ . 1 . 2]" 1
1632 1 78 VAL MG2 2 8 MET ME 1.800 . 5.000 3.898 2.231 5.156 0.156 19 0 "[ . 1 . 2]" 1
1633 1 4 LEU QD 2 78 VAL MG2 1.800 . 5.000 3.361 2.707 4.163 . 0 0 "[ . 1 . 2]" 1
1634 1 41 LEU QD 1 78 VAL MG2 1.800 . 5.000 3.356 2.705 4.141 . 0 0 "[ . 1 . 2]" 1
1635 1 11 LEU QD 1 78 VAL H 1.800 . 6.000 5.585 5.138 6.008 0.008 3 0 "[ . 1 . 2]" 1
1636 1 11 LEU QD 2 78 VAL H 1.800 . 6.000 5.586 5.122 6.029 0.029 3 0 "[ . 1 . 2]" 1
1637 1 79 SER H 1 79 SER HA 1.800 . 2.900 2.851 2.832 2.879 . 0 0 "[ . 1 . 2]" 1
1638 2 79 SER H 2 79 SER HA 1.800 . 2.900 2.852 2.832 2.880 . 0 0 "[ . 1 . 2]" 1
1639 1 79 SER H 1 79 SER QB 1.800 . 3.500 2.380 2.263 2.566 . 0 0 "[ . 1 . 2]" 1
1640 2 79 SER H 2 79 SER QB 1.800 . 3.500 2.383 2.261 2.583 . 0 0 "[ . 1 . 2]" 1
1641 1 78 VAL H 1 79 SER H 1.800 . 2.900 2.702 2.645 2.738 . 0 0 "[ . 1 . 2]" 1
1642 2 78 VAL H 2 79 SER H 1.800 . 2.900 2.704 2.647 2.745 . 0 0 "[ . 1 . 2]" 1
1643 1 78 VAL HA 1 79 SER H 1.800 . 4.200 3.558 3.545 3.571 . 0 0 "[ . 1 . 2]" 1
1644 2 78 VAL HA 2 79 SER H 1.800 . 4.200 3.559 3.546 3.577 . 0 0 "[ . 1 . 2]" 1
1645 1 78 VAL HB 1 79 SER H 1.800 . 2.900 2.597 2.502 2.696 . 0 0 "[ . 1 . 2]" 1
1646 2 78 VAL HB 2 79 SER H 1.800 . 2.900 2.597 2.470 2.721 . 0 0 "[ . 1 . 2]" 1
1647 1 78 VAL MG1 1 79 SER H 1.800 . 3.500 3.333 3.207 3.483 . 0 0 "[ . 1 . 2]" 1
1648 2 78 VAL MG1 2 79 SER H 1.800 . 3.500 3.325 3.157 3.477 . 0 0 "[ . 1 . 2]" 1
1649 1 75 MET HA 1 79 SER H 1.800 . 5.000 4.414 3.851 4.892 . 0 0 "[ . 1 . 2]" 1
1650 2 75 MET HA 2 79 SER H 1.800 . 5.000 4.416 3.850 4.887 . 0 0 "[ . 1 . 2]" 1
1651 1 76 ALA HA 1 79 SER H 1.800 . 4.200 3.413 3.294 3.574 . 0 0 "[ . 1 . 2]" 1
1652 2 76 ALA HA 2 79 SER H 1.800 . 4.200 3.408 3.266 3.572 . 0 0 "[ . 1 . 2]" 1
1653 1 77 PHE H 1 79 SER H 1.800 . 5.000 4.189 4.026 4.343 . 0 0 "[ . 1 . 2]" 1
1654 2 77 PHE H 2 79 SER H 1.800 . 5.000 4.188 4.022 4.353 . 0 0 "[ . 1 . 2]" 1
1655 1 78 VAL MG1 1 79 SER HA 1.800 . 5.000 3.371 3.274 3.498 . 0 0 "[ . 1 . 2]" 1
1656 2 78 VAL MG1 2 79 SER HA 1.800 . 5.000 3.367 3.272 3.503 . 0 0 "[ . 1 . 2]" 1
1657 1 79 SER HA 1 82 THR HB 1.800 . 5.000 3.146 2.329 4.796 . 0 0 "[ . 1 . 2]" 1
1658 2 79 SER HA 2 82 THR HB 1.800 . 5.000 3.152 2.335 4.773 . 0 0 "[ . 1 . 2]" 1
1659 1 75 MET QB 2 79 SER HA 1.800 . 5.000 4.344 2.783 5.135 0.135 12 0 "[ . 1 . 2]" 1
1660 1 79 SER HA 2 75 MET QB 1.800 . 5.000 4.356 2.855 5.106 0.106 12 0 "[ . 1 . 2]" 1
1661 1 75 MET ME 2 79 SER HA 1.800 . 4.200 2.721 2.224 4.308 0.108 10 0 "[ . 1 . 2]" 1
1662 1 79 SER HA 2 75 MET ME 1.800 . 4.200 2.723 2.256 4.234 0.034 10 0 "[ . 1 . 2]" 1
1663 1 80 MET H 1 80 MET HA 1.800 . 2.900 2.845 2.838 2.862 . 0 0 "[ . 1 . 2]" 1
1664 2 80 MET H 2 80 MET HA 1.800 . 2.900 2.845 2.838 2.861 . 0 0 "[ . 1 . 2]" 1
1665 1 80 MET H 1 80 MET QB 1.800 . 2.900 2.320 2.228 2.458 . 0 0 "[ . 1 . 2]" 1
1666 2 80 MET H 2 80 MET QB 1.800 . 2.900 2.316 2.236 2.433 . 0 0 "[ . 1 . 2]" 1
1667 1 79 SER H 1 80 MET H 1.800 . 2.900 2.746 2.614 2.857 . 0 0 "[ . 1 . 2]" 1
1668 2 79 SER H 2 80 MET H 1.800 . 2.900 2.747 2.606 2.857 . 0 0 "[ . 1 . 2]" 1
1669 1 79 SER HA 1 80 MET H 1.800 . 3.500 3.564 3.534 3.591 0.091 9 0 "[ . 1 . 2]" 1
1670 2 79 SER HA 2 80 MET H 1.800 . 3.500 3.564 3.534 3.591 0.091 9 0 "[ . 1 . 2]" 1
1671 1 79 SER QB 1 80 MET H 1.800 . 3.500 2.962 2.373 3.470 . 0 0 "[ . 1 . 2]" 1
1672 2 79 SER QB 2 80 MET H 1.800 . 3.500 2.957 2.384 3.473 . 0 0 "[ . 1 . 2]" 1
1673 1 80 MET ME 1 81 VAL MG2 1.800 . 6.000 4.770 2.871 6.146 0.146 20 0 "[ . 1 . 2]" 1
1674 2 80 MET ME 2 81 VAL MG2 1.800 . 6.000 4.774 2.911 6.150 0.150 20 0 "[ . 1 . 2]" 1
1675 1 76 ALA HA 1 80 MET H 1.800 . 5.000 4.131 3.592 4.770 . 0 0 "[ . 1 . 2]" 1
1676 2 76 ALA HA 2 80 MET H 1.800 . 5.000 4.126 3.592 4.764 . 0 0 "[ . 1 . 2]" 1
1677 1 77 PHE HA 1 80 MET H 1.800 . 4.200 3.537 3.263 4.049 . 0 0 "[ . 1 . 2]" 1
1678 2 77 PHE HA 2 80 MET H 1.800 . 4.200 3.537 3.267 4.048 . 0 0 "[ . 1 . 2]" 1
1679 1 77 PHE QD 1 80 MET H 1.800 . 6.000 5.300 5.062 5.762 . 0 0 "[ . 1 . 2]" 1
1680 2 77 PHE QD 2 80 MET H 1.800 . 6.000 5.301 5.067 5.767 . 0 0 "[ . 1 . 2]" 1
1681 1 78 VAL H 1 80 MET H 1.800 . 5.000 4.246 4.065 4.461 . 0 0 "[ . 1 . 2]" 1
1682 2 78 VAL H 2 80 MET H 1.800 . 5.000 4.247 4.066 4.464 . 0 0 "[ . 1 . 2]" 1
1683 1 78 VAL HA 1 80 MET H 1.800 . 5.000 4.462 4.227 4.801 . 0 0 "[ . 1 . 2]" 1
1684 2 78 VAL HA 2 80 MET H 1.800 . 5.000 4.465 4.230 4.808 . 0 0 "[ . 1 . 2]" 1
1685 1 80 MET HA 1 83 THR HB 1.800 . 5.000 4.156 2.522 5.036 0.036 3 0 "[ . 1 . 2]" 1
1686 2 80 MET HA 2 83 THR HB 1.800 . 5.000 4.160 2.516 5.043 0.043 3 0 "[ . 1 . 2]" 1
1687 1 80 MET HA 1 83 THR MG 1.800 . 5.000 3.647 3.110 4.521 . 0 0 "[ . 1 . 2]" 1
1688 2 80 MET HA 2 83 THR MG 1.800 . 5.000 3.656 3.110 4.516 . 0 0 "[ . 1 . 2]" 1
1689 1 57 VAL MG1 1 80 MET ME 1.800 . 6.000 4.849 3.092 5.915 . 0 0 "[ . 1 . 2]" 1
1690 2 57 VAL MG1 2 80 MET ME 1.800 . 6.000 4.844 3.085 5.891 . 0 0 "[ . 1 . 2]" 1
1691 1 61 LEU QD 1 80 MET ME 1.800 . 4.200 3.250 2.160 4.172 . 0 0 "[ . 1 . 2]" 1
1692 2 61 LEU QD 2 80 MET ME 1.800 . 4.200 3.254 2.155 4.191 . 0 0 "[ . 1 . 2]" 1
1693 1 81 VAL H 1 81 VAL HB 1.800 . 2.900 2.415 2.348 2.486 . 0 0 "[ . 1 . 2]" 1
1694 2 81 VAL H 2 81 VAL HB 1.800 . 2.900 2.415 2.345 2.479 . 0 0 "[ . 1 . 2]" 1
1695 1 81 VAL H 1 81 VAL MG2 1.800 . 3.500 2.261 2.135 2.346 . 0 0 "[ . 1 . 2]" 1
1696 2 81 VAL H 2 81 VAL MG2 1.800 . 3.500 2.263 2.162 2.337 . 0 0 "[ . 1 . 2]" 1
1697 1 81 VAL HA 1 81 VAL MG1 1.800 . 2.700 2.411 2.350 2.492 . 0 0 "[ . 1 . 2]" 1
1698 2 81 VAL HA 2 81 VAL MG1 1.800 . 2.700 2.409 2.347 2.498 . 0 0 "[ . 1 . 2]" 1
1699 1 81 VAL HA 1 81 VAL MG2 1.800 . 2.700 2.300 2.237 2.369 . 0 0 "[ . 1 . 2]" 1
1700 2 81 VAL HA 2 81 VAL MG2 1.800 . 2.700 2.305 2.250 2.355 . 0 0 "[ . 1 . 2]" 1
1701 1 80 MET H 1 81 VAL H 1.800 . 2.900 2.767 2.692 2.806 . 0 0 "[ . 1 . 2]" 1
1702 2 80 MET H 2 81 VAL H 1.800 . 2.900 2.769 2.693 2.813 . 0 0 "[ . 1 . 2]" 1
1703 1 80 MET HA 1 81 VAL H 1.800 . 3.500 3.562 3.552 3.576 0.076 15 0 "[ . 1 . 2]" 1
1704 2 80 MET HA 2 81 VAL H 1.800 . 3.500 3.563 3.552 3.577 0.077 15 0 "[ . 1 . 2]" 1
1705 1 80 MET QB 1 81 VAL H 1.800 . 2.900 2.524 2.284 2.639 . 0 0 "[ . 1 . 2]" 1
1706 2 80 MET QB 2 81 VAL H 1.800 . 2.900 2.523 2.290 2.647 . 0 0 "[ . 1 . 2]" 1
1707 1 80 MET QB 1 81 VAL MG2 1.800 . 5.000 3.139 2.899 3.272 . 0 0 "[ . 1 . 2]" 1
1708 2 80 MET QB 2 81 VAL MG2 1.800 . 5.000 3.128 2.970 3.286 . 0 0 "[ . 1 . 2]" 1
1709 1 77 PHE HA 1 81 VAL H 1.800 . 5.000 4.412 3.937 4.969 . 0 0 "[ . 1 . 2]" 1
1710 2 77 PHE HA 2 81 VAL H 1.800 . 5.000 4.412 3.933 4.964 . 0 0 "[ . 1 . 2]" 1
1711 1 78 VAL HA 1 81 VAL H 1.800 . 4.200 3.606 3.427 3.725 . 0 0 "[ . 1 . 2]" 1
1712 2 78 VAL HA 2 81 VAL H 1.800 . 4.200 3.606 3.432 3.728 . 0 0 "[ . 1 . 2]" 1
1713 1 79 SER H 1 81 VAL H 1.800 . 5.000 4.319 4.173 4.415 . 0 0 "[ . 1 . 2]" 1
1714 2 79 SER H 2 81 VAL H 1.800 . 5.000 4.319 4.180 4.417 . 0 0 "[ . 1 . 2]" 1
1715 1 79 SER HA 1 81 VAL H 1.800 . 5.000 4.449 4.311 4.714 . 0 0 "[ . 1 . 2]" 1
1716 2 79 SER HA 2 81 VAL H 1.800 . 5.000 4.448 4.309 4.717 . 0 0 "[ . 1 . 2]" 1
1717 1 81 VAL HA 1 84 ALA MB 1.800 . 3.300 2.746 2.261 3.202 . 0 0 "[ . 1 . 2]" 1
1718 2 81 VAL HA 2 84 ALA MB 1.800 . 3.300 2.716 2.257 3.230 . 0 0 "[ . 1 . 2]" 1
1719 1 44 PHE QD 1 81 VAL MG1 1.800 . 5.000 3.848 2.547 5.208 0.208 17 0 "[ . 1 . 2]" 1
1720 2 44 PHE QD 2 81 VAL MG1 1.800 . 5.000 3.844 2.559 5.199 0.199 17 0 "[ . 1 . 2]" 1
1721 1 8 MET ME 2 81 VAL MG2 1.800 . 5.000 3.911 2.417 5.060 0.060 7 0 "[ . 1 . 2]" 1
1722 1 81 VAL MG2 2 8 MET ME 1.800 . 5.000 3.908 2.481 5.095 0.095 7 0 "[ . 1 . 2]" 1
1723 1 82 THR H 1 82 THR HB 1.800 . 3.500 2.836 2.517 3.613 0.113 20 0 "[ . 1 . 2]" 1
1724 2 82 THR H 2 82 THR HB 1.800 . 3.500 2.839 2.522 3.617 0.117 20 0 "[ . 1 . 2]" 1
1725 1 81 VAL H 1 82 THR H 1.800 . 3.500 2.661 2.591 2.772 . 0 0 "[ . 1 . 2]" 1
1726 2 81 VAL H 2 82 THR H 1.800 . 3.500 2.662 2.589 2.770 . 0 0 "[ . 1 . 2]" 1
1727 1 81 VAL HA 1 82 THR H 1.800 . 4.200 3.562 3.546 3.587 . 0 0 "[ . 1 . 2]" 1
1728 2 81 VAL HA 2 82 THR H 1.800 . 4.200 3.563 3.542 3.586 . 0 0 "[ . 1 . 2]" 1
1729 1 81 VAL HB 1 82 THR H 1.800 . 3.500 2.614 2.490 2.685 . 0 0 "[ . 1 . 2]" 1
1730 2 81 VAL HB 2 82 THR H 1.800 . 3.500 2.617 2.477 2.697 . 0 0 "[ . 1 . 2]" 1
1731 1 81 VAL MG1 1 82 THR H 1.800 . 4.200 3.290 3.047 3.419 . 0 0 "[ . 1 . 2]" 1
1732 2 81 VAL MG1 2 82 THR H 1.800 . 4.200 3.289 3.053 3.418 . 0 0 "[ . 1 . 2]" 1
1733 1 81 VAL MG1 1 82 THR HA 1.800 . 5.000 3.329 3.182 3.439 . 0 0 "[ . 1 . 2]" 1
1734 2 81 VAL MG1 2 82 THR HA 1.800 . 5.000 3.334 3.184 3.425 . 0 0 "[ . 1 . 2]" 1
1735 1 81 VAL MG2 1 82 THR H 1.800 . 4.200 3.924 3.801 3.995 . 0 0 "[ . 1 . 2]" 1
1736 2 81 VAL MG2 2 82 THR H 1.800 . 4.200 3.927 3.811 4.004 . 0 0 "[ . 1 . 2]" 1
1737 1 78 VAL HA 1 82 THR H 1.800 . 5.000 4.227 3.682 4.838 . 0 0 "[ . 1 . 2]" 1
1738 2 78 VAL HA 2 82 THR H 1.800 . 5.000 4.226 3.680 4.840 . 0 0 "[ . 1 . 2]" 1
1739 1 78 VAL MG1 1 82 THR H 1.800 . 5.000 3.961 3.660 4.403 . 0 0 "[ . 1 . 2]" 1
1740 2 78 VAL MG1 2 82 THR H 1.800 . 5.000 3.963 3.652 4.394 . 0 0 "[ . 1 . 2]" 1
1741 1 78 VAL MG1 1 82 THR MG 1.800 . 5.000 3.846 2.468 4.827 . 0 0 "[ . 1 . 2]" 1
1742 2 78 VAL MG1 2 82 THR MG 1.800 . 5.000 3.850 2.495 4.863 . 0 0 "[ . 1 . 2]" 1
1743 1 79 SER HA 1 82 THR H 1.800 . 4.200 3.456 3.323 3.677 . 0 0 "[ . 1 . 2]" 1
1744 2 79 SER HA 2 82 THR H 1.800 . 4.200 3.460 3.316 3.662 . 0 0 "[ . 1 . 2]" 1
1745 1 80 MET H 1 82 THR H 1.800 . 5.000 4.226 4.038 4.388 . 0 0 "[ . 1 . 2]" 1
1746 2 80 MET H 2 82 THR H 1.800 . 5.000 4.233 4.073 4.382 . 0 0 "[ . 1 . 2]" 1
1747 1 82 THR HA 1 85 CYS QB 1.800 . 5.000 3.085 2.298 4.372 . 0 0 "[ . 1 . 2]" 1
1748 2 82 THR HA 2 85 CYS QB 1.800 . 5.000 3.088 2.305 4.408 . 0 0 "[ . 1 . 2]" 1
1749 1 8 MET HA 2 82 THR MG 1.800 . 6.000 5.057 4.252 6.146 0.146 12 0 "[ . 1 . 2]" 1
1750 1 82 THR MG 2 8 MET HA 1.800 . 6.000 5.052 4.282 6.154 0.154 12 0 "[ . 1 . 2]" 1
1751 1 8 MET QG 2 82 THR MG 1.800 . 5.000 4.253 3.278 4.951 . 0 0 "[ . 1 . 2]" 1
1752 1 82 THR MG 2 8 MET QG 1.800 . 5.000 4.234 3.289 4.964 . 0 0 "[ . 1 . 2]" 1
1753 1 8 MET ME 2 82 THR H 1.800 . 6.000 4.303 2.894 5.705 . 0 0 "[ . 1 . 2]" 1
1754 1 82 THR H 2 8 MET ME 1.800 . 6.000 4.314 2.899 5.709 . 0 0 "[ . 1 . 2]" 1
1755 1 8 MET ME 2 82 THR HA 1.800 . 6.000 4.307 2.496 6.047 0.047 15 0 "[ . 1 . 2]" 1
1756 1 82 THR HA 2 8 MET ME 1.800 . 6.000 4.289 2.459 6.050 0.050 15 0 "[ . 1 . 2]" 1
1757 1 8 MET ME 2 82 THR MG 1.800 . 6.000 4.059 2.032 6.065 0.065 6 0 "[ . 1 . 2]" 1
1758 1 82 THR MG 2 8 MET ME 1.800 . 6.000 4.028 1.983 6.099 0.099 6 0 "[ . 1 . 2]" 1
1759 1 12 ILE QG 2 82 THR MG 1.800 . 5.000 3.210 2.408 4.647 . 0 0 "[ . 1 . 2]" 1
1760 1 82 THR MG 2 12 ILE QG 1.800 . 5.000 3.218 2.457 4.604 . 0 0 "[ . 1 . 2]" 1
1761 1 12 ILE MD 2 82 THR HA 1.800 . 6.000 3.936 2.996 5.786 . 0 0 "[ . 1 . 2]" 1
1762 1 82 THR HA 2 12 ILE MD 1.800 . 6.000 3.957 3.106 5.673 . 0 0 "[ . 1 . 2]" 1
1763 1 71 PHE HZ 2 82 THR MG 1.800 . 5.000 2.879 2.057 4.409 . 0 0 "[ . 1 . 2]" 1
1764 1 82 THR MG 2 71 PHE HZ 1.800 . 5.000 2.909 2.075 4.435 . 0 0 "[ . 1 . 2]" 1
1765 1 75 MET ME 2 82 THR MG 1.800 . 5.000 3.126 2.095 4.136 . 0 0 "[ . 1 . 2]" 1
1766 1 82 THR MG 2 75 MET ME 1.800 . 5.000 3.120 2.104 4.181 . 0 0 "[ . 1 . 2]" 1
1767 1 15 PHE QD 2 82 THR MG 1.800 . 6.000 4.485 3.137 5.666 . 0 0 "[ . 1 . 2]" 1
1768 1 82 THR MG 2 15 PHE QD 1.800 . 6.000 4.491 3.107 5.767 . 0 0 "[ . 1 . 2]" 1
1769 1 83 THR H 1 83 THR HB 1.800 . 3.500 3.347 2.512 3.624 0.124 6 0 "[ . 1 . 2]" 1
1770 2 83 THR H 2 83 THR HB 1.800 . 3.500 3.348 2.536 3.626 0.126 6 0 "[ . 1 . 2]" 1
1771 1 83 THR HA 1 83 THR MG 1.800 . 3.300 2.328 2.248 2.412 . 0 0 "[ . 1 . 2]" 1
1772 2 83 THR HA 2 83 THR MG 1.800 . 3.300 2.330 2.267 2.414 . 0 0 "[ . 1 . 2]" 1
1773 1 82 THR H 1 83 THR H 1.800 . 3.500 2.710 2.623 2.838 . 0 0 "[ . 1 . 2]" 1
1774 2 82 THR H 2 83 THR H 1.800 . 3.500 2.713 2.625 2.832 . 0 0 "[ . 1 . 2]" 1
1775 1 82 THR HA 1 83 THR H 1.800 . 5.000 3.566 3.552 3.596 . 0 0 "[ . 1 . 2]" 1
1776 2 82 THR HA 2 83 THR H 1.800 . 5.000 3.567 3.552 3.591 . 0 0 "[ . 1 . 2]" 1
1777 1 82 THR HB 1 83 THR H 1.800 . 3.500 2.827 2.417 3.670 0.170 20 0 "[ . 1 . 2]" 1
1778 2 82 THR HB 2 83 THR H 1.800 . 3.500 2.825 2.413 3.665 0.165 20 0 "[ . 1 . 2]" 1
1779 1 82 THR MG 1 83 THR H 1.800 . 5.000 3.607 3.300 3.986 . 0 0 "[ . 1 . 2]" 1
1780 2 82 THR MG 2 83 THR H 1.800 . 5.000 3.612 3.301 3.976 . 0 0 "[ . 1 . 2]" 1
1781 1 80 MET HA 1 83 THR H 1.800 . 4.200 3.632 3.406 3.834 . 0 0 "[ . 1 . 2]" 1
1782 2 80 MET HA 2 83 THR H 1.800 . 4.200 3.637 3.402 3.845 . 0 0 "[ . 1 . 2]" 1
1783 1 81 VAL H 1 83 THR H 1.800 . 5.000 4.194 3.986 4.398 . 0 0 "[ . 1 . 2]" 1
1784 2 81 VAL H 2 83 THR H 1.800 . 5.000 4.194 3.994 4.408 . 0 0 "[ . 1 . 2]" 1
1785 1 81 VAL HA 1 83 THR H 1.800 . 5.000 4.527 4.372 4.791 . 0 0 "[ . 1 . 2]" 1
1786 2 81 VAL HA 2 83 THR H 1.800 . 5.000 4.527 4.359 4.796 . 0 0 "[ . 1 . 2]" 1
1787 1 83 THR MG 1 84 ALA MB 1.800 . 5.000 4.812 4.039 5.086 0.086 12 0 "[ . 1 . 2]" 1
1788 2 83 THR MG 2 84 ALA MB 1.800 . 5.000 4.822 4.071 5.134 0.134 12 0 "[ . 1 . 2]" 1
1789 1 71 PHE QD 2 83 THR HA 1.800 . 6.000 4.281 3.135 5.801 . 0 0 "[ . 1 . 2]" 1
1790 1 83 THR HA 2 71 PHE QD 1.800 . 6.000 4.303 3.155 5.826 . 0 0 "[ . 1 . 2]" 1
1791 1 72 GLN QB 2 83 THR MG 1.800 . 4.200 3.641 2.714 4.375 0.175 1 0 "[ . 1 . 2]" 1
1792 1 83 THR MG 2 72 GLN QB 1.800 . 4.200 3.666 2.726 4.414 0.214 18 0 "[ . 1 . 2]" 1
1793 1 72 GLN QG 2 83 THR MG 1.800 . 5.000 3.613 2.187 5.065 0.065 11 0 "[ . 1 . 2]" 1
1794 1 83 THR MG 2 72 GLN QG 1.800 . 5.000 3.634 2.231 5.070 0.070 11 0 "[ . 1 . 2]" 1
1795 1 84 ALA H 1 84 ALA HA 1.800 . 2.900 2.868 2.805 2.924 0.024 8 0 "[ . 1 . 2]" 1
1796 2 84 ALA H 2 84 ALA HA 1.800 . 2.900 2.867 2.807 2.923 0.023 8 0 "[ . 1 . 2]" 1
1797 1 84 ALA H 1 84 ALA MB 1.800 . 2.900 2.239 2.200 2.273 . 0 0 "[ . 1 . 2]" 1
1798 2 84 ALA H 2 84 ALA MB 1.800 . 2.900 2.238 2.196 2.258 . 0 0 "[ . 1 . 2]" 1
1799 1 83 THR H 1 84 ALA H 1.800 . 2.900 2.652 2.555 2.816 . 0 0 "[ . 1 . 2]" 1
1800 2 83 THR H 2 84 ALA H 1.800 . 2.900 2.653 2.551 2.808 . 0 0 "[ . 1 . 2]" 1
1801 1 83 THR HA 1 84 ALA H 1.800 . 5.000 3.549 3.494 3.580 . 0 0 "[ . 1 . 2]" 1
1802 2 83 THR HA 2 84 ALA H 1.800 . 5.000 3.549 3.493 3.578 . 0 0 "[ . 1 . 2]" 1
1803 1 83 THR HB 1 84 ALA H 1.800 . 4.200 3.387 2.589 3.876 . 0 0 "[ . 1 . 2]" 1
1804 2 83 THR HB 2 84 ALA H 1.800 . 4.200 3.379 2.533 3.857 . 0 0 "[ . 1 . 2]" 1
1805 1 83 THR MG 1 84 ALA H 1.800 . 5.000 3.806 3.440 3.999 . 0 0 "[ . 1 . 2]" 1
1806 2 83 THR MG 2 84 ALA H 1.800 . 5.000 3.811 3.455 4.004 . 0 0 "[ . 1 . 2]" 1
1807 1 84 ALA H 1 85 CYS H 1.800 . 2.900 2.654 2.436 2.802 . 0 0 "[ . 1 . 2]" 1
1808 2 84 ALA H 2 85 CYS H 1.800 . 2.900 2.658 2.441 2.803 . 0 0 "[ . 1 . 2]" 1
1809 1 80 MET HA 1 84 ALA H 1.800 . 5.000 4.061 3.523 4.661 . 0 0 "[ . 1 . 2]" 1
1810 2 80 MET HA 2 84 ALA H 1.800 . 5.000 4.059 3.521 4.665 . 0 0 "[ . 1 . 2]" 1
1811 1 81 VAL HA 1 84 ALA H 1.800 . 4.200 3.567 3.358 3.878 . 0 0 "[ . 1 . 2]" 1
1812 2 81 VAL HA 2 84 ALA H 1.800 . 4.200 3.566 3.340 3.885 . 0 0 "[ . 1 . 2]" 1
1813 1 81 VAL MG1 1 84 ALA H 1.800 . 5.000 4.733 4.512 4.961 . 0 0 "[ . 1 . 2]" 1
1814 2 81 VAL MG1 2 84 ALA H 1.800 . 5.000 4.733 4.476 4.971 . 0 0 "[ . 1 . 2]" 1
1815 1 81 VAL MG2 1 84 ALA MB 1.800 . 5.000 4.133 3.696 4.591 . 0 0 "[ . 1 . 2]" 1
1816 2 81 VAL MG2 2 84 ALA MB 1.800 . 5.000 4.123 3.734 4.640 . 0 0 "[ . 1 . 2]" 1
1817 1 82 THR H 1 84 ALA H 1.800 . 5.000 4.157 4.028 4.397 . 0 0 "[ . 1 . 2]" 1
1818 2 82 THR H 2 84 ALA H 1.800 . 5.000 4.160 4.035 4.397 . 0 0 "[ . 1 . 2]" 1
1819 1 82 THR HA 1 84 ALA H 1.800 . 5.000 4.456 4.202 4.645 . 0 0 "[ . 1 . 2]" 1
1820 2 82 THR HA 2 84 ALA H 1.800 . 5.000 4.460 4.203 4.673 . 0 0 "[ . 1 . 2]" 1
1821 1 85 CYS H 1 85 CYS QB 1.800 . 2.900 2.376 2.201 2.649 . 0 0 "[ . 1 . 2]" 1
1822 2 85 CYS H 2 85 CYS QB 1.800 . 2.900 2.375 2.210 2.651 . 0 0 "[ . 1 . 2]" 1
1823 1 84 ALA HA 1 85 CYS H 1.800 . 4.200 3.517 3.395 3.577 . 0 0 "[ . 1 . 2]" 1
1824 2 84 ALA HA 2 85 CYS H 1.800 . 4.200 3.517 3.400 3.577 . 0 0 "[ . 1 . 2]" 1
1825 1 84 ALA MB 1 85 CYS H 1.800 . 2.900 2.691 2.358 3.092 0.192 3 0 "[ . 1 . 2]" 1
1826 2 84 ALA MB 2 85 CYS H 1.800 . 2.900 2.695 2.344 3.087 0.187 3 0 "[ . 1 . 2]" 1
1827 1 81 VAL HA 1 85 CYS H 1.800 . 6.000 4.312 3.735 4.887 . 0 0 "[ . 1 . 2]" 1
1828 2 81 VAL HA 2 85 CYS H 1.800 . 6.000 4.311 3.742 4.905 . 0 0 "[ . 1 . 2]" 1
1829 1 81 VAL MG1 1 85 CYS H 1.800 . 5.000 4.225 3.825 4.908 . 0 0 "[ . 1 . 2]" 1
1830 2 81 VAL MG1 2 85 CYS H 1.800 . 5.000 4.224 3.812 4.922 . 0 0 "[ . 1 . 2]" 1
1831 1 82 THR HA 1 85 CYS H 1.800 . 5.000 3.556 3.332 4.009 . 0 0 "[ . 1 . 2]" 1
1832 2 82 THR HA 2 85 CYS H 1.800 . 5.000 3.558 3.345 4.013 . 0 0 "[ . 1 . 2]" 1
1833 1 85 CYS H 1 86 HIS H 1.800 . 5.000 4.431 2.589 4.707 . 0 0 "[ . 1 . 2]" 1
1834 2 85 CYS H 2 86 HIS H 1.800 . 5.000 4.431 2.586 4.708 . 0 0 "[ . 1 . 2]" 1
1835 1 85 CYS HA 1 86 HIS H 1.800 . 5.000 2.332 2.177 3.546 . 0 0 "[ . 1 . 2]" 1
1836 2 85 CYS HA 2 86 HIS H 1.800 . 5.000 2.332 2.174 3.546 . 0 0 "[ . 1 . 2]" 1
1837 1 87 GLU H 1 87 GLU QB 1.800 . 3.500 2.643 2.249 3.379 . 0 0 "[ . 1 . 2]" 1
1838 2 87 GLU H 2 87 GLU QB 1.800 . 3.500 2.644 2.249 3.379 . 0 0 "[ . 1 . 2]" 1
1839 1 86 HIS H 1 87 GLU H 1.800 . 5.000 3.777 2.240 4.670 . 0 0 "[ . 1 . 2]" 1
1840 2 86 HIS H 2 87 GLU H 1.800 . 5.000 3.777 2.239 4.669 . 0 0 "[ . 1 . 2]" 1
1841 1 86 HIS HA 1 87 GLU H 1.800 . 4.200 2.813 2.182 3.560 . 0 0 "[ . 1 . 2]" 1
1842 2 86 HIS HA 2 87 GLU H 1.800 . 4.200 2.811 2.181 3.560 . 0 0 "[ . 1 . 2]" 1
1843 1 86 HIS QB 1 87 GLU H 1.800 . 5.000 2.765 1.706 4.012 0.094 8 0 "[ . 1 . 2]" 1
1844 2 86 HIS QB 2 87 GLU H 1.800 . 5.000 2.766 1.701 4.012 0.099 8 0 "[ . 1 . 2]" 1
1845 1 88 PHE H 1 88 PHE HA 1.800 . 2.900 2.789 2.332 3.001 0.101 2 0 "[ . 1 . 2]" 1
1846 2 88 PHE H 2 88 PHE HA 1.800 . 2.900 2.788 2.327 3.000 0.100 2 0 "[ . 1 . 2]" 1
1847 1 88 PHE H 1 88 PHE QB 1.800 . 2.900 2.551 2.154 3.206 0.306 18 0 "[ . 1 . 2]" 1
1848 2 88 PHE H 2 88 PHE QB 1.800 . 2.900 2.550 2.152 3.210 0.310 18 0 "[ . 1 . 2]" 1
1849 1 88 PHE H 1 88 PHE QD 1.800 . 5.000 3.399 1.971 4.502 . 0 0 "[ . 1 . 2]" 1
1850 2 88 PHE H 2 88 PHE QD 1.800 . 5.000 3.396 1.969 4.477 . 0 0 "[ . 1 . 2]" 1
1851 1 87 GLU HA 1 88 PHE H 1.800 . 3.500 3.051 2.190 3.606 0.106 17 0 "[ . 1 . 2]" 1
1852 2 87 GLU HA 2 88 PHE H 1.800 . 3.500 3.050 2.179 3.600 0.100 17 0 "[ . 1 . 2]" 1
1853 1 87 GLU QB 1 88 PHE H 1.800 . 3.500 2.889 1.766 3.839 0.339 12 0 "[ . 1 . 2]" 1
1854 2 87 GLU QB 2 88 PHE H 1.800 . 3.500 2.888 1.729 3.839 0.339 12 0 "[ . 1 . 2]" 1
1855 1 89 PHE H 1 89 PHE QB 1.800 . 3.500 2.534 2.184 3.222 . 0 0 "[ . 1 . 2]" 1
1856 2 89 PHE H 2 89 PHE QB 1.800 . 3.500 2.535 2.179 3.217 . 0 0 "[ . 1 . 2]" 1
1857 1 89 PHE HA 1 89 PHE QD 1.800 . 4.200 2.959 2.262 3.708 . 0 0 "[ . 1 . 2]" 1
1858 2 89 PHE HA 2 89 PHE QD 1.800 . 4.200 2.960 2.264 3.709 . 0 0 "[ . 1 . 2]" 1
1859 1 88 PHE HA 1 89 PHE H 1.800 . 3.500 2.658 2.186 3.591 0.091 14 0 "[ . 1 . 2]" 1
1860 2 88 PHE HA 2 89 PHE H 1.800 . 3.500 2.660 2.188 3.585 0.085 14 0 "[ . 1 . 2]" 1
1861 1 88 PHE QB 1 89 PHE H 1.800 . 5.000 3.392 1.997 4.043 . 0 0 "[ . 1 . 2]" 1
1862 2 88 PHE QB 2 89 PHE H 1.800 . 5.000 3.390 2.004 4.045 . 0 0 "[ . 1 . 2]" 1
1863 1 88 PHE QD 1 89 PHE H 1.800 . 6.000 4.259 2.193 4.954 . 0 0 "[ . 1 . 2]" 1
1864 2 88 PHE QD 2 89 PHE H 1.800 . 6.000 4.255 2.186 4.950 . 0 0 "[ . 1 . 2]" 1
1865 1 12 ILE MD 2 89 PHE H 1.800 . 6.000 5.247 3.600 6.193 0.193 3 0 "[ . 1 . 2]" 1
1866 1 89 PHE H 2 12 ILE MD 1.800 . 6.000 5.241 3.760 6.138 0.138 3 0 "[ . 1 . 2]" 1
1867 1 12 ILE MG 2 89 PHE H 1.800 . 5.000 4.417 2.678 5.114 0.114 12 0 "[ . 1 . 2]" 1
1868 1 89 PHE H 2 12 ILE MG 1.800 . 5.000 4.434 2.649 5.124 0.124 7 0 "[ . 1 . 2]" 1
1869 1 90 GLU H 1 90 GLU QB 1.800 . 2.900 2.542 2.278 3.366 0.466 10 0 "[ . 1 . 2]" 1
1870 2 90 GLU H 2 90 GLU QB 1.800 . 2.900 2.538 2.280 3.365 0.465 10 0 "[ . 1 . 2]" 1
1871 1 89 PHE HA 1 90 GLU H 1.800 . 3.500 2.766 2.166 3.564 0.064 4 0 "[ . 1 . 2]" 1
1872 2 89 PHE HA 2 90 GLU H 1.800 . 3.500 2.768 2.166 3.565 0.065 4 0 "[ . 1 . 2]" 1
1873 1 89 PHE QB 1 90 GLU H 1.800 . 5.000 3.241 1.753 4.015 0.047 4 0 "[ . 1 . 2]" 1
1874 2 89 PHE QB 2 90 GLU H 1.800 . 5.000 3.245 1.755 4.021 0.045 4 0 "[ . 1 . 2]" 1
1875 1 89 PHE QD 1 90 GLU H 1.800 . 6.000 3.957 2.510 4.919 . 0 0 "[ . 1 . 2]" 1
1876 2 89 PHE QD 2 90 GLU H 1.800 . 6.000 3.960 2.518 4.923 . 0 0 "[ . 1 . 2]" 1
1877 1 91 HIS H 1 91 HIS QB 1.800 . 3.500 2.662 2.238 3.300 . 0 0 "[ . 1 . 2]" 1
1878 2 91 HIS H 2 91 HIS QB 1.800 . 3.500 2.670 2.239 3.289 . 0 0 "[ . 1 . 2]" 1
1879 1 90 GLU H 1 91 HIS H 1.800 . 5.000 3.903 1.910 4.655 . 0 0 "[ . 1 . 2]" 1
1880 2 90 GLU H 2 91 HIS H 1.800 . 5.000 3.899 1.923 4.644 . 0 0 "[ . 1 . 2]" 1
1881 1 90 GLU HA 1 91 HIS H 1.800 . 3.500 2.747 2.160 3.559 0.059 4 0 "[ . 1 . 2]" 1
1882 2 90 GLU HA 2 91 HIS H 1.800 . 3.500 2.751 2.160 3.561 0.061 4 0 "[ . 1 . 2]" 1
1883 1 92 GLU H 1 92 GLU QB 1.800 . 2.900 2.701 2.282 3.141 0.241 13 0 "[ . 1 . 2]" 1
1884 2 92 GLU H 2 92 GLU QB 1.800 . 2.900 2.705 2.283 3.144 0.244 13 0 "[ . 1 . 2]" 1
1885 1 91 HIS HA 1 92 GLU H 1.800 . 3.500 2.630 2.199 3.561 0.061 19 0 "[ . 1 . 2]" 1
1886 2 91 HIS HA 2 92 GLU H 1.800 . 3.500 2.627 2.202 3.556 0.056 19 0 "[ . 1 . 2]" 1
1887 1 91 HIS QB 1 92 GLU H 1.800 . 3.500 3.109 1.782 3.898 0.398 4 0 "[ . 1 . 2]" 1
1888 2 91 HIS QB 2 92 GLU H 1.800 . 3.500 3.107 1.766 3.894 0.394 4 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 152
_Distance_constraint_stats_list.Viol_count 146
_Distance_constraint_stats_list.Viol_total 274.318
_Distance_constraint_stats_list.Viol_max 0.388
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0939
_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 2 SER 0.434 0.146 1 0 "[ . 1 . 2]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.024 0.024 12 0 "[ . 1 . 2]"
1 5 GLU 0.267 0.235 15 0 "[ . 1 . 2]"
1 6 LYS 0.434 0.146 1 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 MET 0.646 0.239 16 0 "[ . 1 . 2]"
1 9 VAL 0.267 0.235 15 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.622 0.239 16 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.010 0.010 8 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TYR 0.010 0.010 8 0 "[ . 1 . 2]"
1 28 LEU 3.866 0.388 13 0 "[ . 1 . 2]"
1 30 LYS 0.181 0.125 12 0 "[ . 1 . 2]"
1 31 SER 0.495 0.209 20 0 "[ . 1 . 2]"
1 32 GLU 0.007 0.007 14 0 "[ . 1 . 2]"
1 33 LEU 0.053 0.053 19 0 "[ . 1 . 2]"
1 34 LYS 0.308 0.125 12 0 "[ . 1 . 2]"
1 35 GLU 0.495 0.209 20 0 "[ . 1 . 2]"
1 36 LEU 0.007 0.007 14 0 "[ . 1 . 2]"
1 37 ILE 0.053 0.053 19 0 "[ . 1 . 2]"
1 38 ASN 0.126 0.071 11 0 "[ . 1 . 2]"
1 51 GLN 0.001 0.001 9 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.154 0.152 9 0 "[ . 1 . 2]"
1 56 LYS 0.010 0.010 1 0 "[ . 1 . 2]"
1 57 VAL 0.011 0.011 1 0 "[ . 1 . 2]"
1 58 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLU 0.152 0.152 9 0 "[ . 1 . 2]"
1 60 THR 0.010 0.010 1 0 "[ . 1 . 2]"
1 61 LEU 0.011 0.011 1 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 CYS 3.866 0.388 13 0 "[ . 1 . 2]"
1 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLN 0.243 0.145 5 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PHE 0.187 0.065 14 0 "[ . 1 . 2]"
1 75 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.243 0.145 5 0 "[ . 1 . 2]"
1 77 PHE 0.122 0.099 20 0 "[ . 1 . 2]"
1 78 VAL 0.207 0.065 14 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 MET 0.027 0.027 18 0 "[ . 1 . 2]"
1 81 VAL 0.122 0.099 20 0 "[ . 1 . 2]"
1 82 THR 0.020 0.020 8 0 "[ . 1 . 2]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 0.027 0.027 18 0 "[ . 1 . 2]"
2 2 SER 0.432 0.148 1 0 "[ . 1 . 2]"
2 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 LEU 0.032 0.032 12 0 "[ . 1 . 2]"
2 5 GLU 0.262 0.238 15 0 "[ . 1 . 2]"
2 6 LYS 0.432 0.148 1 0 "[ . 1 . 2]"
2 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 MET 0.636 0.232 16 0 "[ . 1 . 2]"
2 9 VAL 0.262 0.238 15 0 "[ . 1 . 2]"
2 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ILE 0.605 0.232 16 0 "[ . 1 . 2]"
2 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 VAL 0.006 0.006 8 0 "[ . 1 . 2]"
2 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 TYR 0.006 0.006 8 0 "[ . 1 . 2]"
2 28 LEU 3.880 0.388 13 0 "[ . 1 . 2]"
2 30 LYS 0.189 0.137 12 0 "[ . 1 . 2]"
2 31 SER 0.472 0.215 20 0 "[ . 1 . 2]"
2 32 GLU 0.007 0.007 14 0 "[ . 1 . 2]"
2 33 LEU 0.055 0.055 19 0 "[ . 1 . 2]"
2 34 LYS 0.311 0.137 12 0 "[ . 1 . 2]"
2 35 GLU 0.472 0.215 20 0 "[ . 1 . 2]"
2 36 LEU 0.007 0.007 14 0 "[ . 1 . 2]"
2 37 ILE 0.055 0.055 19 0 "[ . 1 . 2]"
2 38 ASN 0.122 0.076 11 0 "[ . 1 . 2]"
2 51 GLN 0.002 0.002 9 0 "[ . 1 . 2]"
2 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 ASP 0.156 0.153 9 0 "[ . 1 . 2]"
2 56 LYS 0.008 0.008 1 0 "[ . 1 . 2]"
2 57 VAL 0.010 0.010 1 0 "[ . 1 . 2]"
2 58 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 GLU 0.153 0.153 9 0 "[ . 1 . 2]"
2 60 THR 0.008 0.008 1 0 "[ . 1 . 2]"
2 61 LEU 0.010 0.010 1 0 "[ . 1 . 2]"
2 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 69 CYS 3.880 0.388 13 0 "[ . 1 . 2]"
2 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 72 GLN 0.259 0.151 5 0 "[ . 1 . 2]"
2 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 PHE 0.181 0.068 14 0 "[ . 1 . 2]"
2 75 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 76 ALA 0.259 0.151 5 0 "[ . 1 . 2]"
2 77 PHE 0.123 0.092 20 0 "[ . 1 . 2]"
2 78 VAL 0.206 0.068 14 0 "[ . 1 . 2]"
2 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 80 MET 0.032 0.032 18 0 "[ . 1 . 2]"
2 81 VAL 0.123 0.092 20 0 "[ . 1 . 2]"
2 82 THR 0.025 0.025 8 0 "[ . 1 . 2]"
2 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 84 ALA 0.032 0.032 18 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 2 SER O 1 6 LYS H 1.500 . 2.800 2.392 2.116 2.734 . 0 0 "[ . 1 . 2]" 2
2 2 2 SER O 2 6 LYS H 1.500 . 2.800 2.392 2.108 2.734 . 0 0 "[ . 1 . 2]" 2
3 1 2 SER O 1 6 LYS N 2.400 2.400 3.500 3.333 3.078 3.646 0.146 1 0 "[ . 1 . 2]" 2
4 2 2 SER O 2 6 LYS N 2.400 2.400 3.500 3.333 3.070 3.648 0.148 1 0 "[ . 1 . 2]" 2
5 1 3 GLU O 1 7 ALA H 1.500 . 2.800 2.014 1.711 2.434 . 0 0 "[ . 1 . 2]" 2
6 2 3 GLU O 2 7 ALA H 1.500 . 2.800 2.012 1.709 2.433 . 0 0 "[ . 1 . 2]" 2
7 1 3 GLU O 1 7 ALA N 2.400 2.400 3.500 2.939 2.635 3.262 . 0 0 "[ . 1 . 2]" 2
8 2 3 GLU O 2 7 ALA N 2.400 2.400 3.500 2.936 2.632 3.260 . 0 0 "[ . 1 . 2]" 2
9 1 4 LEU O 1 8 MET H 1.500 . 2.800 2.201 1.765 2.619 . 0 0 "[ . 1 . 2]" 2
10 2 4 LEU O 2 8 MET H 1.500 . 2.800 2.202 1.775 2.622 . 0 0 "[ . 1 . 2]" 2
11 1 4 LEU O 1 8 MET N 2.400 2.400 3.500 3.137 2.727 3.524 0.024 12 0 "[ . 1 . 2]" 2
12 2 4 LEU O 2 8 MET N 2.400 2.400 3.500 3.138 2.735 3.532 0.032 12 0 "[ . 1 . 2]" 2
13 1 5 GLU O 1 9 VAL H 1.500 . 2.800 2.317 1.871 2.795 . 0 0 "[ . 1 . 2]" 2
14 2 5 GLU O 2 9 VAL H 1.500 . 2.800 2.316 1.878 2.797 . 0 0 "[ . 1 . 2]" 2
15 1 5 GLU O 1 9 VAL N 2.400 2.400 3.500 3.260 2.814 3.735 0.235 15 0 "[ . 1 . 2]" 2
16 2 5 GLU O 2 9 VAL N 2.400 2.400 3.500 3.258 2.817 3.738 0.238 15 0 "[ . 1 . 2]" 2
17 1 6 LYS O 1 10 ALA H 1.500 . 2.800 1.938 1.613 2.389 . 0 0 "[ . 1 . 2]" 2
18 2 6 LYS O 2 10 ALA H 1.500 . 2.800 1.938 1.614 2.390 . 0 0 "[ . 1 . 2]" 2
19 1 6 LYS O 1 10 ALA N 2.400 2.400 3.500 2.871 2.540 3.290 . 0 0 "[ . 1 . 2]" 2
20 2 6 LYS O 2 10 ALA N 2.400 2.400 3.500 2.871 2.542 3.294 . 0 0 "[ . 1 . 2]" 2
21 1 7 ALA O 1 11 LEU H 1.500 . 2.800 2.146 1.802 2.560 . 0 0 "[ . 1 . 2]" 2
22 2 7 ALA O 2 11 LEU H 1.500 . 2.800 2.146 1.798 2.559 . 0 0 "[ . 1 . 2]" 2
23 1 7 ALA O 1 11 LEU N 2.400 2.400 3.500 3.089 2.766 3.468 . 0 0 "[ . 1 . 2]" 2
24 2 7 ALA O 2 11 LEU N 2.400 2.400 3.500 3.089 2.760 3.462 . 0 0 "[ . 1 . 2]" 2
25 1 8 MET O 1 12 ILE H 1.500 . 2.800 2.459 2.142 2.801 0.001 16 0 "[ . 1 . 2]" 2
26 2 8 MET O 2 12 ILE H 1.500 . 2.800 2.459 2.140 2.797 . 0 0 "[ . 1 . 2]" 2
27 1 8 MET O 1 12 ILE N 2.400 2.400 3.500 3.415 3.101 3.739 0.239 16 0 "[ . 1 . 2]" 2
28 2 8 MET O 2 12 ILE N 2.400 2.400 3.500 3.415 3.100 3.732 0.232 16 0 "[ . 1 . 2]" 2
29 1 9 VAL O 1 13 ASP H 1.500 . 2.800 1.892 1.635 2.313 . 0 0 "[ . 1 . 2]" 2
30 2 9 VAL O 2 13 ASP H 1.500 . 2.800 1.895 1.636 2.312 . 0 0 "[ . 1 . 2]" 2
31 1 9 VAL O 1 13 ASP N 2.400 2.400 3.500 2.845 2.605 3.262 . 0 0 "[ . 1 . 2]" 2
32 2 9 VAL O 2 13 ASP N 2.400 2.400 3.500 2.849 2.605 3.259 . 0 0 "[ . 1 . 2]" 2
33 1 10 ALA O 1 14 VAL H 1.500 . 2.800 1.905 1.616 2.269 . 0 0 "[ . 1 . 2]" 2
34 2 10 ALA O 2 14 VAL H 1.500 . 2.800 1.905 1.611 2.269 . 0 0 "[ . 1 . 2]" 2
35 1 10 ALA O 1 14 VAL N 2.400 2.400 3.500 2.862 2.553 3.226 . 0 0 "[ . 1 . 2]" 2
36 2 10 ALA O 2 14 VAL N 2.400 2.400 3.500 2.861 2.552 3.226 . 0 0 "[ . 1 . 2]" 2
37 1 11 LEU O 1 15 PHE H 1.500 . 2.800 2.156 1.727 2.488 . 0 0 "[ . 1 . 2]" 2
38 2 11 LEU O 2 15 PHE H 1.500 . 2.800 2.157 1.728 2.485 . 0 0 "[ . 1 . 2]" 2
39 1 11 LEU O 1 15 PHE N 2.400 2.400 3.500 3.087 2.674 3.433 . 0 0 "[ . 1 . 2]" 2
40 2 11 LEU O 2 15 PHE N 2.400 2.400 3.500 3.089 2.676 3.432 . 0 0 "[ . 1 . 2]" 2
41 1 12 ILE O 1 16 HIS H 1.500 . 2.800 2.145 1.832 2.464 . 0 0 "[ . 1 . 2]" 2
42 2 12 ILE O 2 16 HIS H 1.500 . 2.800 2.141 1.824 2.459 . 0 0 "[ . 1 . 2]" 2
43 1 12 ILE O 1 16 HIS N 2.400 2.400 3.500 3.103 2.782 3.406 . 0 0 "[ . 1 . 2]" 2
44 2 12 ILE O 2 16 HIS N 2.400 2.400 3.500 3.099 2.774 3.411 . 0 0 "[ . 1 . 2]" 2
45 1 13 ASP O 1 17 GLN H 1.500 . 2.800 2.134 1.698 2.418 . 0 0 "[ . 1 . 2]" 2
46 2 13 ASP O 2 17 GLN H 1.500 . 2.800 2.131 1.698 2.423 . 0 0 "[ . 1 . 2]" 2
47 1 13 ASP O 1 17 GLN N 2.400 2.400 3.500 3.076 2.617 3.357 . 0 0 "[ . 1 . 2]" 2
48 2 13 ASP O 2 17 GLN N 2.400 2.400 3.500 3.074 2.617 3.363 . 0 0 "[ . 1 . 2]" 2
49 1 14 VAL O 1 18 TYR H 1.500 . 2.800 2.116 1.626 2.562 . 0 0 "[ . 1 . 2]" 2
50 2 14 VAL O 2 18 TYR H 1.500 . 2.800 2.115 1.623 2.560 . 0 0 "[ . 1 . 2]" 2
51 1 14 VAL O 1 18 TYR N 2.400 2.400 3.500 3.070 2.566 3.510 0.010 8 0 "[ . 1 . 2]" 2
52 2 14 VAL O 2 18 TYR N 2.400 2.400 3.500 3.069 2.561 3.506 0.006 8 0 "[ . 1 . 2]" 2
53 1 30 LYS O 1 34 LYS H 1.500 . 2.800 2.309 1.783 2.686 . 0 0 "[ . 1 . 2]" 2
54 2 30 LYS O 2 34 LYS H 1.500 . 2.800 2.307 1.781 2.695 . 0 0 "[ . 1 . 2]" 2
55 1 30 LYS O 1 34 LYS N 2.400 2.400 3.500 3.256 2.749 3.625 0.125 12 0 "[ . 1 . 2]" 2
56 2 30 LYS O 2 34 LYS N 2.400 2.400 3.500 3.254 2.748 3.637 0.137 12 0 "[ . 1 . 2]" 2
57 1 31 SER O 1 35 GLU H 1.500 . 2.800 2.404 1.993 2.766 . 0 0 "[ . 1 . 2]" 2
58 2 31 SER O 2 35 GLU H 1.500 . 2.800 2.400 1.997 2.768 . 0 0 "[ . 1 . 2]" 2
59 1 31 SER O 1 35 GLU N 2.400 2.400 3.500 3.348 2.949 3.709 0.209 20 0 "[ . 1 . 2]" 2
60 2 31 SER O 2 35 GLU N 2.400 2.400 3.500 3.344 2.952 3.715 0.215 20 0 "[ . 1 . 2]" 2
61 1 32 GLU O 1 36 LEU H 1.500 . 2.800 2.015 1.756 2.582 . 0 0 "[ . 1 . 2]" 2
62 2 32 GLU O 2 36 LEU H 1.500 . 2.800 2.011 1.729 2.583 . 0 0 "[ . 1 . 2]" 2
63 1 32 GLU O 1 36 LEU N 2.400 2.400 3.500 2.946 2.614 3.507 0.007 14 0 "[ . 1 . 2]" 2
64 2 32 GLU O 2 36 LEU N 2.400 2.400 3.500 2.943 2.593 3.507 0.007 14 0 "[ . 1 . 2]" 2
65 1 33 LEU O 1 37 ILE H 1.500 . 2.800 2.217 1.774 2.594 . 0 0 "[ . 1 . 2]" 2
66 2 33 LEU O 2 37 ILE H 1.500 . 2.800 2.213 1.772 2.594 . 0 0 "[ . 1 . 2]" 2
67 1 33 LEU O 1 37 ILE N 2.400 2.400 3.500 3.169 2.723 3.553 0.053 19 0 "[ . 1 . 2]" 2
68 2 33 LEU O 2 37 ILE N 2.400 2.400 3.500 3.165 2.722 3.555 0.055 19 0 "[ . 1 . 2]" 2
69 1 34 LYS O 1 38 ASN H 1.500 . 2.800 2.254 1.893 2.615 . 0 0 "[ . 1 . 2]" 2
70 2 34 LYS O 2 38 ASN H 1.500 . 2.800 2.255 1.882 2.621 . 0 0 "[ . 1 . 2]" 2
71 1 34 LYS O 1 38 ASN N 2.400 2.400 3.500 3.192 2.773 3.571 0.071 11 0 "[ . 1 . 2]" 2
72 2 34 LYS O 2 38 ASN N 2.400 2.400 3.500 3.192 2.763 3.576 0.076 11 0 "[ . 1 . 2]" 2
73 1 51 GLN O 1 55 ASP H 1.500 . 2.800 2.232 1.634 2.559 . 0 0 "[ . 1 . 2]" 2
74 2 51 GLN O 2 55 ASP H 1.500 . 2.800 2.229 1.635 2.560 . 0 0 "[ . 1 . 2]" 2
75 1 51 GLN O 1 55 ASP N 2.400 2.400 3.500 3.174 2.605 3.501 0.001 9 0 "[ . 1 . 2]" 2
76 2 51 GLN O 2 55 ASP N 2.400 2.400 3.500 3.171 2.607 3.502 0.002 9 0 "[ . 1 . 2]" 2
77 1 52 GLU O 1 56 LYS H 1.500 . 2.800 2.123 1.797 2.354 . 0 0 "[ . 1 . 2]" 2
78 2 52 GLU O 2 56 LYS H 1.500 . 2.800 2.125 1.792 2.363 . 0 0 "[ . 1 . 2]" 2
79 1 52 GLU O 1 56 LYS N 2.400 2.400 3.500 3.073 2.748 3.304 . 0 0 "[ . 1 . 2]" 2
80 2 52 GLU O 2 56 LYS N 2.400 2.400 3.500 3.074 2.743 3.304 . 0 0 "[ . 1 . 2]" 2
81 1 53 VAL O 1 57 VAL H 1.500 . 2.800 2.123 1.875 2.397 . 0 0 "[ . 1 . 2]" 2
82 2 53 VAL O 2 57 VAL H 1.500 . 2.800 2.124 1.878 2.414 . 0 0 "[ . 1 . 2]" 2
83 1 53 VAL O 1 57 VAL N 2.400 2.400 3.500 3.071 2.840 3.327 . 0 0 "[ . 1 . 2]" 2
84 2 53 VAL O 2 57 VAL N 2.400 2.400 3.500 3.072 2.844 3.346 . 0 0 "[ . 1 . 2]" 2
85 1 54 VAL O 1 58 MET H 1.500 . 2.800 1.967 1.618 2.379 . 0 0 "[ . 1 . 2]" 2
86 2 54 VAL O 2 58 MET H 1.500 . 2.800 1.966 1.621 2.377 . 0 0 "[ . 1 . 2]" 2
87 1 54 VAL O 1 58 MET N 2.400 2.400 3.500 2.904 2.557 3.327 . 0 0 "[ . 1 . 2]" 2
88 2 54 VAL O 2 58 MET N 2.400 2.400 3.500 2.903 2.558 3.324 . 0 0 "[ . 1 . 2]" 2
89 1 55 ASP O 1 59 GLU H 1.500 . 2.800 2.141 1.771 2.704 . 0 0 "[ . 1 . 2]" 2
90 2 55 ASP O 2 59 GLU H 1.500 . 2.800 2.143 1.776 2.705 . 0 0 "[ . 1 . 2]" 2
91 1 55 ASP O 1 59 GLU N 2.400 2.400 3.500 3.082 2.726 3.652 0.152 9 0 "[ . 1 . 2]" 2
92 2 55 ASP O 2 59 GLU N 2.400 2.400 3.500 3.084 2.733 3.653 0.153 9 0 "[ . 1 . 2]" 2
93 1 56 LYS O 1 60 THR H 1.500 . 2.800 2.274 1.717 2.637 . 0 0 "[ . 1 . 2]" 2
94 2 56 LYS O 2 60 THR H 1.500 . 2.800 2.274 1.710 2.637 . 0 0 "[ . 1 . 2]" 2
95 1 56 LYS O 1 60 THR N 2.400 2.400 3.500 3.207 2.675 3.510 0.010 1 0 "[ . 1 . 2]" 2
96 2 56 LYS O 2 60 THR N 2.400 2.400 3.500 3.208 2.668 3.508 0.008 1 0 "[ . 1 . 2]" 2
97 1 57 VAL O 1 61 LEU H 1.500 . 2.800 2.078 1.734 2.600 . 0 0 "[ . 1 . 2]" 2
98 2 57 VAL O 2 61 LEU H 1.500 . 2.800 2.081 1.731 2.594 . 0 0 "[ . 1 . 2]" 2
99 1 57 VAL O 1 61 LEU N 2.400 2.400 3.500 3.029 2.677 3.511 0.011 1 0 "[ . 1 . 2]" 2
100 2 57 VAL O 2 61 LEU N 2.400 2.400 3.500 3.032 2.677 3.510 0.010 1 0 "[ . 1 . 2]" 2
101 1 58 MET O 1 62 ASP H 1.500 . 2.800 2.062 1.574 2.574 . 0 0 "[ . 1 . 2]" 2
102 2 58 MET O 2 62 ASP H 1.500 . 2.800 2.065 1.585 2.590 . 0 0 "[ . 1 . 2]" 2
103 1 58 MET O 1 62 ASP N 2.400 2.400 3.500 2.916 2.511 3.293 . 0 0 "[ . 1 . 2]" 2
104 2 58 MET O 2 62 ASP N 2.400 2.400 3.500 2.918 2.519 3.302 . 0 0 "[ . 1 . 2]" 2
105 1 71 PHE O 1 75 MET H 1.500 . 2.800 2.203 1.925 2.520 . 0 0 "[ . 1 . 2]" 2
106 2 71 PHE O 2 75 MET H 1.500 . 2.800 2.203 1.930 2.521 . 0 0 "[ . 1 . 2]" 2
107 1 71 PHE O 1 75 MET N 2.400 2.400 3.500 3.133 2.836 3.448 . 0 0 "[ . 1 . 2]" 2
108 2 71 PHE O 2 75 MET N 2.400 2.400 3.500 3.134 2.836 3.450 . 0 0 "[ . 1 . 2]" 2
109 1 72 GLN O 1 76 ALA H 1.500 . 2.800 2.400 1.923 2.706 . 0 0 "[ . 1 . 2]" 2
110 2 72 GLN O 2 76 ALA H 1.500 . 2.800 2.404 1.920 2.713 . 0 0 "[ . 1 . 2]" 2
111 1 72 GLN O 1 76 ALA N 2.400 2.400 3.500 3.316 2.852 3.645 0.145 5 0 "[ . 1 . 2]" 2
112 2 72 GLN O 2 76 ALA N 2.400 2.400 3.500 3.320 2.850 3.651 0.151 5 0 "[ . 1 . 2]" 2
113 1 73 GLU O 1 77 PHE H 1.500 . 2.800 2.267 2.067 2.535 . 0 0 "[ . 1 . 2]" 2
114 2 73 GLU O 2 77 PHE H 1.500 . 2.800 2.270 2.070 2.543 . 0 0 "[ . 1 . 2]" 2
115 1 73 GLU O 1 77 PHE N 2.400 2.400 3.500 3.159 2.947 3.425 . 0 0 "[ . 1 . 2]" 2
116 2 73 GLU O 2 77 PHE N 2.400 2.400 3.500 3.162 2.946 3.435 . 0 0 "[ . 1 . 2]" 2
117 1 74 PHE O 1 78 VAL H 1.500 . 2.800 2.461 2.269 2.655 . 0 0 "[ . 1 . 2]" 2
118 2 74 PHE O 2 78 VAL H 1.500 . 2.800 2.461 2.253 2.657 . 0 0 "[ . 1 . 2]" 2
119 1 74 PHE O 1 78 VAL N 2.400 2.400 3.500 3.396 3.204 3.565 0.065 14 0 "[ . 1 . 2]" 2
120 2 74 PHE O 2 78 VAL N 2.400 2.400 3.500 3.396 3.188 3.568 0.068 14 0 "[ . 1 . 2]" 2
121 1 75 MET O 1 79 SER H 1.500 . 2.800 2.186 1.791 2.572 . 0 0 "[ . 1 . 2]" 2
122 2 75 MET O 2 79 SER H 1.500 . 2.800 2.185 1.788 2.566 . 0 0 "[ . 1 . 2]" 2
123 1 75 MET O 1 79 SER N 2.400 2.400 3.500 3.132 2.751 3.474 . 0 0 "[ . 1 . 2]" 2
124 2 75 MET O 2 79 SER N 2.400 2.400 3.500 3.130 2.748 3.466 . 0 0 "[ . 1 . 2]" 2
125 1 76 ALA O 1 80 MET H 1.500 . 2.800 2.039 1.730 2.499 . 0 0 "[ . 1 . 2]" 2
126 2 76 ALA O 2 80 MET H 1.500 . 2.800 2.035 1.704 2.494 . 0 0 "[ . 1 . 2]" 2
127 1 76 ALA O 1 80 MET N 2.400 2.400 3.500 2.972 2.671 3.407 . 0 0 "[ . 1 . 2]" 2
128 2 76 ALA O 2 80 MET N 2.400 2.400 3.500 2.969 2.652 3.402 . 0 0 "[ . 1 . 2]" 2
129 1 77 PHE O 1 81 VAL H 1.500 . 2.800 2.316 1.975 2.681 . 0 0 "[ . 1 . 2]" 2
130 2 77 PHE O 2 81 VAL H 1.500 . 2.800 2.314 1.958 2.677 . 0 0 "[ . 1 . 2]" 2
131 1 77 PHE O 1 81 VAL N 2.400 2.400 3.500 3.256 2.947 3.599 0.099 20 0 "[ . 1 . 2]" 2
132 2 77 PHE O 2 81 VAL N 2.400 2.400 3.500 3.253 2.931 3.592 0.092 20 0 "[ . 1 . 2]" 2
133 1 78 VAL O 1 82 THR H 1.500 . 2.800 2.088 1.679 2.598 . 0 0 "[ . 1 . 2]" 2
134 2 78 VAL O 2 82 THR H 1.500 . 2.800 2.088 1.667 2.599 . 0 0 "[ . 1 . 2]" 2
135 1 78 VAL O 1 82 THR N 2.400 2.400 3.500 3.034 2.606 3.520 0.020 8 0 "[ . 1 . 2]" 2
136 2 78 VAL O 2 82 THR N 2.400 2.400 3.500 3.035 2.600 3.525 0.025 8 0 "[ . 1 . 2]" 2
137 1 79 SER O 1 83 THR H 1.500 . 2.800 1.922 1.583 2.248 . 0 0 "[ . 1 . 2]" 2
138 2 79 SER O 2 83 THR H 1.500 . 2.800 1.922 1.584 2.240 . 0 0 "[ . 1 . 2]" 2
139 1 79 SER O 1 83 THR N 2.400 2.400 3.500 2.871 2.504 3.190 . 0 0 "[ . 1 . 2]" 2
140 2 79 SER O 2 83 THR N 2.400 2.400 3.500 2.871 2.505 3.182 . 0 0 "[ . 1 . 2]" 2
141 1 80 MET O 1 84 ALA H 1.500 . 2.800 2.113 1.601 2.592 . 0 0 "[ . 1 . 2]" 2
142 2 80 MET O 2 84 ALA H 1.500 . 2.800 2.112 1.594 2.596 . 0 0 "[ . 1 . 2]" 2
143 1 80 MET O 1 84 ALA N 2.400 2.400 3.500 3.030 2.520 3.527 0.027 18 0 "[ . 1 . 2]" 2
144 2 80 MET O 2 84 ALA N 2.400 2.400 3.500 3.029 2.515 3.532 0.032 18 0 "[ . 1 . 2]" 2
145 1 28 LEU O 1 69 CYS H 1.500 . 2.800 2.644 2.278 2.922 0.122 12 0 "[ . 1 . 2]" 2
146 2 28 LEU O 2 69 CYS H 1.500 . 2.800 2.645 2.265 2.926 0.126 12 0 "[ . 1 . 2]" 2
147 1 28 LEU O 1 69 CYS N 2.400 2.400 3.500 3.536 3.194 3.875 0.375 12 0 "[ . 1 . 2]" 2
148 2 28 LEU O 2 69 CYS N 2.400 2.400 3.500 3.537 3.200 3.878 0.378 12 0 "[ . 1 . 2]" 2
149 1 28 LEU H 1 69 CYS O 1.500 . 2.800 2.593 2.056 2.926 0.126 13 0 "[ . 1 . 2]" 2
150 2 28 LEU H 2 69 CYS O 1.500 . 2.800 2.594 2.051 2.927 0.127 13 0 "[ . 1 . 2]" 2
151 1 28 LEU N 1 69 CYS O 2.400 2.400 3.500 3.465 2.971 3.888 0.388 13 0 "[ . 1 . 2]" 2
152 2 28 LEU N 2 69 CYS O 2.400 2.400 3.500 3.466 2.971 3.888 0.388 13 0 "[ . 1 . 2]" 2
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