NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555251 |
2ly0   |
18706 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ly0
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 764
_Distance_constraint_stats_list.Viol_count 1147
_Distance_constraint_stats_list.Viol_total 2746.031
_Distance_constraint_stats_list.Viol_max 0.347
_Distance_constraint_stats_list.Viol_rms 0.0388
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.1197
_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 5 SER 1.750 0.201 17 0 "[ . 1 . 2]"
1 6 ASP 1.750 0.201 17 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.073 0.073 18 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 1.012 0.297 17 0 "[ . 1 . 2]"
1 11 ALA 2.627 0.297 17 0 "[ . 1 . 2]"
1 12 ALA 1.029 0.219 19 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ILE 0.768 0.261 7 0 "[ . 1 . 2]"
1 15 ILE 3.897 0.300 4 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 1.019 0.205 11 0 "[ . 1 . 2]"
1 18 LEU 2.377 0.300 4 0 "[ . 1 . 2]"
1 19 HIS 22.412 0.347 8 0 "[ . 1 . 2]"
1 20 LEU 6.568 0.269 7 0 "[ . 1 . 2]"
1 21 ILE 0.319 0.094 3 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TRP 13.908 0.342 8 0 "[ . 1 . 2]"
1 24 ILE 0.724 0.114 3 0 "[ . 1 . 2]"
1 25 LEU 0.193 0.053 8 0 "[ . 1 . 2]"
1 26 ASP 0.032 0.022 6 0 "[ . 1 . 2]"
1 27 ARG 0.074 0.029 20 0 "[ . 1 . 2]"
1 28 LEU 1.056 0.148 8 0 "[ . 1 . 2]"
1 29 PHE 1.198 0.148 8 0 "[ . 1 . 2]"
1 30 PHE 0.749 0.088 20 0 "[ . 1 . 2]"
1 31 LYS 0.321 0.080 17 0 "[ . 1 . 2]"
2 5 SER 1.740 0.203 17 0 "[ . 1 . 2]"
2 6 ASP 1.740 0.203 17 0 "[ . 1 . 2]"
2 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 LEU 0.085 0.085 18 0 "[ . 1 . 2]"
2 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 VAL 1.017 0.297 17 0 "[ . 1 . 2]"
2 11 ALA 2.489 0.297 17 0 "[ . 1 . 2]"
2 12 ALA 1.029 0.221 19 0 "[ . 1 . 2]"
2 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 ILE 0.763 0.263 7 0 "[ . 1 . 2]"
2 15 ILE 3.899 0.300 4 0 "[ . 1 . 2]"
2 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 ILE 1.227 0.238 11 0 "[ . 1 . 2]"
2 18 LEU 2.383 0.300 4 0 "[ . 1 . 2]"
2 19 HIS 22.508 0.344 8 0 "[ . 1 . 2]"
2 20 LEU 6.628 0.268 7 0 "[ . 1 . 2]"
2 21 ILE 0.324 0.093 3 0 "[ . 1 . 2]"
2 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 TRP 13.718 0.347 8 0 "[ . 1 . 2]"
2 24 ILE 0.738 0.114 3 0 "[ . 1 . 2]"
2 25 LEU 0.196 0.054 8 0 "[ . 1 . 2]"
2 26 ASP 0.101 0.043 20 0 "[ . 1 . 2]"
2 27 ARG 0.032 0.022 6 0 "[ . 1 . 2]"
2 28 LEU 1.057 0.147 8 0 "[ . 1 . 2]"
2 29 PHE 1.197 0.147 8 0 "[ . 1 . 2]"
2 30 PHE 0.751 0.087 20 0 "[ . 1 . 2]"
2 31 LYS 0.318 0.080 17 0 "[ . 1 . 2]"
3 5 SER 1.747 0.202 17 0 "[ . 1 . 2]"
3 6 ASP 1.747 0.202 17 0 "[ . 1 . 2]"
3 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
3 8 LEU 0.049 0.049 18 0 "[ . 1 . 2]"
3 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
3 10 VAL 1.035 0.298 17 0 "[ . 1 . 2]"
3 11 ALA 2.626 0.298 17 0 "[ . 1 . 2]"
3 12 ALA 1.037 0.221 4 0 "[ . 1 . 2]"
3 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
3 14 ILE 0.764 0.260 7 0 "[ . 1 . 2]"
3 15 ILE 3.961 0.299 4 0 "[ . 1 . 2]"
3 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
3 17 ILE 1.100 0.197 11 0 "[ . 1 . 2]"
3 18 LEU 2.388 0.299 4 0 "[ . 1 . 2]"
3 19 HIS 22.478 0.336 8 0 "[ . 1 . 2]"
3 20 LEU 6.685 0.265 8 0 "[ . 1 . 2]"
3 21 ILE 0.331 0.093 3 0 "[ . 1 . 2]"
3 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
3 23 TRP 13.755 0.344 8 0 "[ . 1 . 2]"
3 24 ILE 0.729 0.114 3 0 "[ . 1 . 2]"
3 25 LEU 0.191 0.052 8 0 "[ . 1 . 2]"
3 26 ASP 0.084 0.056 20 0 "[ . 1 . 2]"
3 27 ARG 0.101 0.043 20 0 "[ . 1 . 2]"
3 28 LEU 1.050 0.147 8 0 "[ . 1 . 2]"
3 29 PHE 1.198 0.147 8 0 "[ . 1 . 2]"
3 30 PHE 0.751 0.087 20 0 "[ . 1 . 2]"
3 31 LYS 0.319 0.078 17 0 "[ . 1 . 2]"
4 5 SER 1.734 0.200 17 0 "[ . 1 . 2]"
4 6 ASP 1.734 0.200 17 0 "[ . 1 . 2]"
4 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
4 8 LEU 0.060 0.060 18 0 "[ . 1 . 2]"
4 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
4 10 VAL 0.999 0.298 17 0 "[ . 1 . 2]"
4 11 ALA 2.415 0.298 17 0 "[ . 1 . 2]"
4 12 ALA 1.029 0.219 19 0 "[ . 1 . 2]"
4 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
4 14 ILE 0.766 0.263 7 0 "[ . 1 . 2]"
4 15 ILE 3.898 0.298 4 0 "[ . 1 . 2]"
4 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
4 17 ILE 1.235 0.165 11 0 "[ . 1 . 2]"
4 18 LEU 2.390 0.298 4 0 "[ . 1 . 2]"
4 19 HIS 22.632 0.342 8 0 "[ . 1 . 2]"
4 20 LEU 6.839 0.275 7 0 "[ . 1 . 2]"
4 21 ILE 0.323 0.092 3 0 "[ . 1 . 2]"
4 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
4 23 TRP 13.688 0.336 8 0 "[ . 1 . 2]"
4 24 ILE 0.724 0.115 3 0 "[ . 1 . 2]"
4 25 LEU 0.189 0.051 8 0 "[ . 1 . 2]"
4 26 ASP 0.074 0.029 20 0 "[ . 1 . 2]"
4 27 ARG 0.084 0.056 20 0 "[ . 1 . 2]"
4 28 LEU 1.044 0.147 8 0 "[ . 1 . 2]"
4 29 PHE 1.183 0.147 8 0 "[ . 1 . 2]"
4 30 PHE 0.741 0.086 20 0 "[ . 1 . 2]"
4 31 LYS 0.317 0.081 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 SER H 1 6 ASP H 2.900 . 4.000 4.063 3.652 4.201 0.201 17 0 "[ . 1 . 2]" 1
2 1 6 ASP HA 1 7 PRO QD 2.650 . 3.500 2.108 2.072 2.136 . 0 0 "[ . 1 . 2]" 1
3 1 7 PRO HA 1 10 VAL MG1 3.400 . 5.000 3.934 2.159 4.425 . 0 0 "[ . 1 . 2]" 1
4 1 7 PRO HA 1 10 VAL MG2 3.400 . 5.000 3.119 2.090 4.674 . 0 0 "[ . 1 . 2]" 1
5 1 8 LEU HA 1 8 LEU MD1 2.900 . 4.000 2.842 2.109 3.823 . 0 0 "[ . 1 . 2]" 1
6 1 8 LEU H 1 8 LEU HA 2.900 . 4.000 2.821 2.801 2.842 . 0 0 "[ . 1 . 2]" 1
7 1 8 LEU MD2 2 10 VAL HA 3.400 . 5.000 4.099 2.684 5.073 0.073 18 0 "[ . 1 . 2]" 1
8 1 9 VAL HA 1 9 VAL MG1 3.400 . 5.000 2.386 2.325 2.457 . 0 0 "[ . 1 . 2]" 1
9 1 9 VAL HA 1 9 VAL MG2 2.900 . 4.000 2.389 2.255 3.197 . 0 0 "[ . 1 . 2]" 1
10 1 9 VAL H 1 9 VAL HA 2.900 . 4.000 2.825 2.812 2.844 . 0 0 "[ . 1 . 2]" 1
11 1 9 VAL H 1 9 VAL MG2 2.900 . 4.000 2.180 2.088 2.320 . 0 0 "[ . 1 . 2]" 1
12 1 9 VAL H 1 10 VAL H 2.900 . 4.000 2.713 2.593 2.804 . 0 0 "[ . 1 . 2]" 1
13 1 10 VAL HA 1 10 VAL MG1 3.400 . 5.000 2.436 2.295 3.195 . 0 0 "[ . 1 . 2]" 1
14 1 10 VAL HA 1 10 VAL MG2 2.900 . 4.000 2.437 2.259 3.189 . 0 0 "[ . 1 . 2]" 1
15 1 10 VAL H 1 10 VAL HA 2.900 . 4.000 2.830 2.812 2.861 . 0 0 "[ . 1 . 2]" 1
16 1 10 VAL H 1 10 VAL MG1 3.400 . 5.000 3.332 1.875 3.744 . 0 0 "[ . 1 . 2]" 1
17 1 10 VAL H 1 10 VAL MG2 2.800 . 3.800 2.245 1.762 3.752 0.038 12 0 "[ . 1 . 2]" 1
18 1 10 VAL MG2 1 11 ALA H 3.400 . 5.000 3.525 1.935 3.873 . 0 0 "[ . 1 . 2]" 1
19 1 11 ALA HA 1 14 ILE HB 2.900 . 4.000 2.783 2.341 3.994 . 0 0 "[ . 1 . 2]" 1
20 1 11 ALA HA 1 14 ILE H 2.900 . 4.000 3.444 3.236 3.702 . 0 0 "[ . 1 . 2]" 1
21 1 11 ALA HA 1 14 ILE MD 2.900 . 4.000 2.711 2.286 4.261 0.261 7 0 "[ . 1 . 2]" 1
22 1 10 VAL HB 1 11 ALA H 2.650 . 3.500 2.807 2.459 3.797 0.297 17 0 "[ . 1 . 2]" 1
23 1 10 VAL MG1 1 11 ALA H 2.900 . 4.000 3.238 1.869 3.901 . 0 0 "[ . 1 . 2]" 1
24 1 11 ALA H 1 11 ALA HA 2.900 . 4.000 2.819 2.791 2.836 . 0 0 "[ . 1 . 2]" 1
25 1 11 ALA H 1 11 ALA MB 2.900 . 4.000 2.217 2.191 2.244 . 0 0 "[ . 1 . 2]" 1
26 1 11 ALA MB 1 12 ALA H 3.400 . 5.000 2.546 2.411 2.666 . 0 0 "[ . 1 . 2]" 1
27 1 11 ALA MB 2 17 ILE MD 2.800 . 4.000 4.046 3.748 4.238 0.238 11 0 "[ . 1 . 2]" 1
28 1 12 ALA HA 1 15 ILE HB 2.900 . 4.000 2.773 2.637 3.294 . 0 0 "[ . 1 . 2]" 1
29 1 12 ALA HA 1 15 ILE MD 3.400 . 5.000 3.345 2.310 4.840 . 0 0 "[ . 1 . 2]" 1
30 1 12 ALA MB 2 13 ASN HA 3.400 . 5.000 3.101 2.729 3.480 . 0 0 "[ . 1 . 2]" 1
31 1 12 ALA H 1 12 ALA HA 2.900 . 4.000 2.812 2.774 2.861 . 0 0 "[ . 1 . 2]" 1
32 1 12 ALA H 1 12 ALA MB 2.900 . 4.000 2.220 2.194 2.238 . 0 0 "[ . 1 . 2]" 1
33 1 12 ALA MB 1 13 ASN H 2.900 . 4.000 2.487 2.332 2.666 . 0 0 "[ . 1 . 2]" 1
34 1 12 ALA MB 1 15 ILE MD 3.650 . 5.500 4.512 3.716 5.719 0.219 19 0 "[ . 1 . 2]" 1
35 1 14 ILE HA 1 14 ILE MG 3.400 . 5.000 2.413 2.258 3.186 . 0 0 "[ . 1 . 2]" 1
36 1 14 ILE HA 1 17 ILE HB 2.900 . 4.000 2.911 2.648 3.471 . 0 0 "[ . 1 . 2]" 1
37 1 14 ILE HA 1 17 ILE MD 3.400 . 5.000 2.967 2.405 4.942 . 0 0 "[ . 1 . 2]" 1
38 1 14 ILE H 1 14 ILE HA 2.900 . 4.000 2.831 2.820 2.837 . 0 0 "[ . 1 . 2]" 1
39 1 14 ILE H 1 14 ILE HB 2.900 . 4.000 2.439 2.398 2.623 . 0 0 "[ . 1 . 2]" 1
40 1 14 ILE H 1 14 ILE MD 2.900 . 4.000 3.398 2.753 4.226 0.226 3 0 "[ . 1 . 2]" 1
41 1 14 ILE H 1 14 ILE MG 3.400 . 5.000 3.662 2.163 3.753 . 0 0 "[ . 1 . 2]" 1
42 1 14 ILE H 1 15 ILE H 2.900 . 4.000 2.666 2.639 2.707 . 0 0 "[ . 1 . 2]" 1
43 1 14 ILE MG 1 15 ILE H 2.900 . 4.000 3.243 1.796 3.573 0.004 3 0 "[ . 1 . 2]" 1
44 1 15 ILE HA 1 15 ILE MG 3.400 . 5.000 2.445 2.317 3.170 . 0 0 "[ . 1 . 2]" 1
45 1 15 ILE HA 1 18 LEU QB 2.900 . 4.000 2.576 2.327 2.703 . 0 0 "[ . 1 . 2]" 1
46 1 15 ILE HA 1 18 LEU MD1 3.400 . 5.000 4.269 2.310 5.300 0.300 4 0 "[ . 1 . 2]" 1
47 1 15 ILE HA 1 18 LEU MD2 3.400 . 5.000 3.865 3.182 4.944 . 0 0 "[ . 1 . 2]" 1
48 1 15 ILE HA 2 20 LEU MD1 2.900 . 4.000 3.915 3.440 4.081 0.081 14 0 "[ . 1 . 2]" 1
49 1 15 ILE HA 2 20 LEU MD2 3.650 . 5.500 5.373 4.902 5.614 0.114 7 0 "[ . 1 . 2]" 1
50 1 15 ILE H 1 15 ILE HA 2.900 . 4.000 2.822 2.814 2.831 . 0 0 "[ . 1 . 2]" 1
51 1 15 ILE H 1 15 ILE HB 2.900 . 4.000 2.387 2.218 2.531 . 0 0 "[ . 1 . 2]" 1
52 1 15 ILE H 1 15 ILE MD 3.400 . 5.000 3.429 1.934 3.775 . 0 0 "[ . 1 . 2]" 1
53 1 15 ILE H 1 15 ILE MG 3.400 . 5.000 3.676 2.719 3.740 . 0 0 "[ . 1 . 2]" 1
54 1 15 ILE HB 2 20 LEU MD1 3.400 . 5.000 3.920 3.796 4.148 . 0 0 "[ . 1 . 2]" 1
55 1 15 ILE MD 2 17 ILE HA 3.650 . 5.500 4.143 3.811 5.108 . 0 0 "[ . 1 . 2]" 1
56 1 15 ILE MD 2 17 ILE QG 3.650 . 5.500 2.645 2.153 3.663 . 0 0 "[ . 1 . 2]" 1
57 1 15 ILE MG 2 17 ILE HA 3.400 . 5.000 3.257 2.742 3.906 . 0 0 "[ . 1 . 2]" 1
58 1 15 ILE MG 2 17 ILE H 3.650 . 5.500 4.762 3.995 5.392 . 0 0 "[ . 1 . 2]" 1
59 1 15 ILE MG 2 20 LEU HG 3.650 . 5.500 3.839 3.262 4.240 . 0 0 "[ . 1 . 2]" 1
60 1 15 ILE MG 2 20 LEU QB 2.900 . 4.000 3.656 3.545 4.079 0.079 8 0 "[ . 1 . 2]" 1
61 1 16 GLY H 1 16 GLY HA3 2.900 . 4.000 2.305 2.302 2.308 . 0 0 "[ . 1 . 2]" 1
62 1 16 GLY H 1 16 GLY HA2 2.900 . 4.000 2.818 2.778 2.840 . 0 0 "[ . 1 . 2]" 1
63 1 16 GLY H 1 17 ILE H 2.900 . 4.000 2.738 2.667 2.928 . 0 0 "[ . 1 . 2]" 1
64 1 17 ILE HA 1 17 ILE MG 3.400 . 5.000 2.379 2.289 2.520 . 0 0 "[ . 1 . 2]" 1
65 1 17 ILE HA 1 20 LEU H 2.900 . 4.000 3.464 3.418 3.534 . 0 0 "[ . 1 . 2]" 1
66 1 17 ILE HA 1 20 LEU MD1 2.900 . 4.000 2.744 2.402 3.350 . 0 0 "[ . 1 . 2]" 1
67 1 17 ILE HA 1 20 LEU MD2 3.650 . 5.500 5.082 4.916 5.219 . 0 0 "[ . 1 . 2]" 1
68 1 17 ILE H 1 17 ILE HA 2.900 . 4.000 2.832 2.825 2.856 . 0 0 "[ . 1 . 2]" 1
69 1 17 ILE H 1 17 ILE HB 2.900 . 4.000 2.423 2.291 2.597 . 0 0 "[ . 1 . 2]" 1
70 1 17 ILE H 1 17 ILE MG 3.400 . 5.000 3.734 3.701 3.766 . 0 0 "[ . 1 . 2]" 1
71 1 17 ILE H 1 18 LEU H 2.900 . 4.000 2.652 2.629 2.666 . 0 0 "[ . 1 . 2]" 1
72 1 17 ILE MG 1 18 LEU H 2.900 . 4.000 3.316 3.088 3.564 . 0 0 "[ . 1 . 2]" 1
73 1 18 LEU HA 1 18 LEU MD1 3.400 . 5.000 2.677 2.074 3.820 . 0 0 "[ . 1 . 2]" 1
74 1 18 LEU HA 1 21 ILE H 2.900 . 4.000 3.373 3.299 3.538 . 0 0 "[ . 1 . 2]" 1
75 1 18 LEU HA 1 21 ILE MD 2.900 . 4.000 2.368 2.213 4.045 0.045 17 0 "[ . 1 . 2]" 1
76 1 18 LEU H 1 18 LEU HA 2.900 . 4.000 2.812 2.793 2.823 . 0 0 "[ . 1 . 2]" 1
77 1 18 LEU H 1 18 LEU QB 2.900 . 4.000 2.287 2.243 2.383 . 0 0 "[ . 1 . 2]" 1
78 1 18 LEU H 1 18 LEU MD1 3.400 . 5.000 3.858 3.386 4.297 . 0 0 "[ . 1 . 2]" 1
79 1 18 LEU H 1 18 LEU MD2 3.400 . 5.000 4.066 3.503 4.299 . 0 0 "[ . 1 . 2]" 1
80 1 18 LEU H 1 19 HIS H 2.900 . 4.000 2.674 2.634 2.751 . 0 0 "[ . 1 . 2]" 1
81 1 18 LEU QB 2 20 LEU MD1 3.650 . 5.500 4.322 4.191 4.404 . 0 0 "[ . 1 . 2]" 1
82 1 18 LEU QB 2 20 LEU MD2 3.400 . 5.000 4.764 4.578 5.021 0.021 8 0 "[ . 1 . 2]" 1
83 1 18 LEU QB 1 19 HIS H 3.400 . 5.000 2.603 2.442 2.661 . 0 0 "[ . 1 . 2]" 1
84 1 19 HIS HA 2 20 LEU MD1 2.900 . 4.000 4.109 4.007 4.203 0.203 9 0 "[ . 1 . 2]" 1
85 1 19 HIS HA 2 20 LEU MD2 2.650 . 3.500 2.975 2.824 3.335 . 0 0 "[ . 1 . 2]" 1
86 1 19 HIS H 1 19 HIS HA 2.900 . 4.000 2.806 2.801 2.819 . 0 0 "[ . 1 . 2]" 1
87 1 19 HIS H 1 19 HIS QB 2.900 . 4.000 2.262 2.251 2.273 . 0 0 "[ . 1 . 2]" 1
88 1 19 HIS H 1 20 LEU H 2.900 . 4.000 2.708 2.674 2.723 . 0 0 "[ . 1 . 2]" 1
89 1 19 HIS H 2 20 LEU MD1 3.400 . 5.000 3.992 3.854 4.332 . 0 0 "[ . 1 . 2]" 1
90 1 19 HIS H 2 20 LEU MD2 3.400 . 5.000 4.219 4.101 4.703 . 0 0 "[ . 1 . 2]" 1
91 1 19 HIS QB 2 20 LEU MD1 3.400 . 5.000 2.455 2.261 2.822 . 0 0 "[ . 1 . 2]" 1
92 1 19 HIS QB 2 20 LEU MD2 3.400 . 5.000 2.332 2.243 2.836 . 0 0 "[ . 1 . 2]" 1
93 1 19 HIS HD2 1 20 LEU MD1 3.400 . 5.000 5.150 5.079 5.267 0.267 8 0 "[ . 1 . 2]" 1
94 1 19 HIS HD2 1 20 LEU MD2 2.900 . 4.000 4.023 3.736 4.269 0.269 7 0 "[ . 1 . 2]" 1
95 1 19 HIS HE1 2 23 TRP QB 3.400 . 5.000 2.748 2.587 2.927 . 0 0 "[ . 1 . 2]" 1
96 1 19 HIS HE1 2 23 TRP HE3 3.650 . 5.500 2.729 2.665 2.771 . 0 0 "[ . 1 . 2]" 1
97 1 20 LEU HA 1 20 LEU MD1 3.650 . 5.500 3.735 3.697 3.773 . 0 0 "[ . 1 . 2]" 1
98 1 20 LEU HA 1 20 LEU MD2 3.400 . 5.000 2.266 2.186 2.289 . 0 0 "[ . 1 . 2]" 1
99 1 20 LEU HA 1 23 TRP QB 2.900 . 4.000 2.451 2.366 2.536 . 0 0 "[ . 1 . 2]" 1
100 1 20 LEU H 1 20 LEU HA 2.900 . 4.000 2.812 2.799 2.820 . 0 0 "[ . 1 . 2]" 1
101 1 20 LEU H 1 20 LEU QB 3.400 . 5.000 2.146 2.053 2.200 . 0 0 "[ . 1 . 2]" 1
102 1 20 LEU H 1 20 LEU MD1 3.400 . 5.000 3.484 3.358 3.754 . 0 0 "[ . 1 . 2]" 1
103 1 20 LEU H 1 20 LEU MD2 3.400 . 5.000 4.105 3.984 4.217 . 0 0 "[ . 1 . 2]" 1
104 1 20 LEU H 1 21 ILE H 2.900 . 4.000 2.731 2.704 2.754 . 0 0 "[ . 1 . 2]" 1
105 1 21 ILE HA 1 21 ILE MD 3.400 . 5.000 3.727 2.086 3.835 . 0 0 "[ . 1 . 2]" 1
106 1 21 ILE HA 1 21 ILE MG 3.400 . 5.000 2.373 2.288 2.401 . 0 0 "[ . 1 . 2]" 1
107 1 21 ILE HA 1 24 ILE MG 2.900 . 4.000 2.958 2.158 4.094 0.094 3 0 "[ . 1 . 2]" 1
108 1 21 ILE H 1 21 ILE HA 2.900 . 4.000 2.815 2.803 2.824 . 0 0 "[ . 1 . 2]" 1
109 1 21 ILE H 1 21 ILE HB 2.900 . 4.000 2.461 2.408 2.627 . 0 0 "[ . 1 . 2]" 1
110 1 21 ILE H 1 21 ILE MD 3.400 . 5.000 3.408 2.738 3.474 . 0 0 "[ . 1 . 2]" 1
111 1 21 ILE H 1 21 ILE MG 3.400 . 5.000 3.743 3.729 3.751 . 0 0 "[ . 1 . 2]" 1
112 1 21 ILE H 1 22 LEU H 2.900 . 4.000 2.752 2.709 2.831 . 0 0 "[ . 1 . 2]" 1
113 1 21 ILE MG 1 22 LEU H 3.400 . 5.000 3.289 3.205 3.505 . 0 0 "[ . 1 . 2]" 1
114 1 22 LEU HA 1 22 LEU MD2 2.900 . 4.000 2.489 2.113 3.807 . 0 0 "[ . 1 . 2]" 1
115 1 22 LEU H 1 22 LEU HA 2.900 . 4.000 2.862 2.843 2.871 . 0 0 "[ . 1 . 2]" 1
116 1 22 LEU H 1 22 LEU QB 3.400 . 5.000 2.360 2.171 2.527 . 0 0 "[ . 1 . 2]" 1
117 1 22 LEU H 1 22 LEU MD2 3.400 . 5.000 3.146 1.851 4.293 . 0 0 "[ . 1 . 2]" 1
118 1 22 LEU H 1 23 TRP H 2.900 . 4.000 2.611 2.550 2.690 . 0 0 "[ . 1 . 2]" 1
119 1 23 TRP HA 1 26 ASP H 2.900 . 4.000 3.498 3.270 3.605 . 0 0 "[ . 1 . 2]" 1
120 1 23 TRP H 1 23 TRP HA 2.900 . 4.000 2.834 2.814 2.848 . 0 0 "[ . 1 . 2]" 1
121 1 23 TRP H 1 23 TRP QB 2.900 . 4.000 2.240 2.214 2.266 . 0 0 "[ . 1 . 2]" 1
122 1 23 TRP H 1 24 ILE H 2.900 . 4.000 2.693 2.618 2.782 . 0 0 "[ . 1 . 2]" 1
123 1 24 ILE HA 1 24 ILE HB 2.900 . 4.000 2.745 2.541 3.027 . 0 0 "[ . 1 . 2]" 1
124 1 24 ILE HA 1 24 ILE MG 3.400 . 5.000 2.915 2.439 3.205 . 0 0 "[ . 1 . 2]" 1
125 1 24 ILE H 1 24 ILE HA 2.900 . 4.000 2.829 2.814 2.839 . 0 0 "[ . 1 . 2]" 1
126 1 24 ILE H 1 24 ILE HB 2.900 . 4.000 2.366 2.294 2.399 . 0 0 "[ . 1 . 2]" 1
127 1 24 ILE H 1 24 ILE MG 3.400 . 5.000 2.898 2.296 3.745 . 0 0 "[ . 1 . 2]" 1
128 1 24 ILE H 1 25 LEU H 2.900 . 4.000 2.650 2.600 2.743 . 0 0 "[ . 1 . 2]" 1
129 1 23 TRP HE3 1 24 ILE MD 3.150 . 4.500 3.841 2.885 4.303 . 0 0 "[ . 1 . 2]" 1
130 1 23 TRP HZ3 1 24 ILE MD 3.400 . 5.000 3.606 2.510 4.423 . 0 0 "[ . 1 . 2]" 1
131 1 24 ILE MG 1 25 LEU HA 2.900 . 4.000 3.115 3.004 3.268 . 0 0 "[ . 1 . 2]" 1
132 1 24 ILE MG 1 25 LEU H 2.900 . 4.000 2.333 1.747 3.230 0.053 8 0 "[ . 1 . 2]" 1
133 1 24 ILE MG 1 28 LEU MD1 3.150 . 4.500 4.051 2.715 4.614 0.114 3 0 "[ . 1 . 2]" 1
134 1 25 LEU HA 1 25 LEU MD2 2.900 . 4.000 3.040 2.143 3.803 . 0 0 "[ . 1 . 2]" 1
135 1 25 LEU HA 1 26 ASP H 3.400 . 5.000 3.543 3.517 3.564 . 0 0 "[ . 1 . 2]" 1
136 1 25 LEU H 1 25 LEU HA 2.900 . 4.000 2.819 2.802 2.835 . 0 0 "[ . 1 . 2]" 1
137 1 25 LEU H 1 25 LEU QB 3.400 . 5.000 2.262 2.135 2.372 . 0 0 "[ . 1 . 2]" 1
138 1 25 LEU H 1 26 ASP H 2.900 . 4.000 2.678 2.616 2.737 . 0 0 "[ . 1 . 2]" 1
139 1 25 LEU HA 1 29 PHE QD 3.650 . 5.500 4.340 2.663 5.275 . 0 0 "[ . 1 . 2]" 1
140 1 25 LEU MD2 1 29 PHE QD 3.650 . 5.500 4.385 2.937 5.533 0.033 14 0 "[ . 1 . 2]" 1
141 1 26 ASP H 1 26 ASP HA 2.900 . 4.000 2.810 2.766 2.831 . 0 0 "[ . 1 . 2]" 1
142 1 26 ASP H 1 26 ASP QB 2.900 . 4.000 2.300 2.228 2.376 . 0 0 "[ . 1 . 2]" 1
143 1 26 ASP H 1 27 ARG H 2.900 . 4.000 2.707 2.624 2.846 . 0 0 "[ . 1 . 2]" 1
144 1 26 ASP H 2 27 ARG QH1 3.650 . 5.500 4.632 3.369 5.462 . 0 0 "[ . 1 . 2]" 1
145 1 26 ASP H 2 27 ARG QH2 3.650 . 5.500 4.617 3.144 5.522 0.022 6 0 "[ . 1 . 2]" 1
146 1 27 ARG H 1 27 ARG HA 2.900 . 4.000 2.837 2.792 2.908 . 0 0 "[ . 1 . 2]" 1
147 1 27 ARG H 1 27 ARG QB 2.900 . 4.000 2.298 2.221 2.467 . 0 0 "[ . 1 . 2]" 1
148 1 28 LEU HA 1 28 LEU MD2 3.400 . 5.000 2.972 2.165 3.818 . 0 0 "[ . 1 . 2]" 1
149 1 28 LEU H 1 28 LEU HA 2.900 . 4.000 2.818 2.807 2.823 . 0 0 "[ . 1 . 2]" 1
150 1 28 LEU H 1 28 LEU QB 2.900 . 4.000 2.227 2.139 2.367 . 0 0 "[ . 1 . 2]" 1
151 1 28 LEU H 1 29 PHE QD 3.400 . 5.000 4.082 3.638 4.487 . 0 0 "[ . 1 . 2]" 1
152 1 28 LEU MD1 1 29 PHE QE 3.400 . 5.000 4.495 3.313 5.148 0.148 8 0 "[ . 1 . 2]" 1
153 1 28 LEU MD1 1 29 PHE QD 3.650 . 5.500 4.590 3.673 5.184 . 0 0 "[ . 1 . 2]" 1
154 1 28 LEU MD2 1 29 PHE QE 3.400 . 5.000 4.074 2.470 5.119 0.119 12 0 "[ . 1 . 2]" 1
155 1 28 LEU MD2 1 29 PHE QD 3.650 . 5.500 4.069 3.094 4.997 . 0 0 "[ . 1 . 2]" 1
156 1 29 PHE HA 1 29 PHE QD 3.400 . 5.000 2.819 2.474 3.071 . 0 0 "[ . 1 . 2]" 1
157 1 29 PHE H 1 29 PHE HA 2.900 . 4.000 2.883 2.819 2.952 . 0 0 "[ . 1 . 2]" 1
158 1 29 PHE H 1 29 PHE QB 3.400 . 5.000 2.336 2.193 2.449 . 0 0 "[ . 1 . 2]" 1
159 1 29 PHE H 1 29 PHE QD 2.900 . 4.000 2.344 1.964 2.797 . 0 0 "[ . 1 . 2]" 1
160 1 29 PHE H 1 30 PHE H 2.900 . 4.000 2.661 2.339 3.087 . 0 0 "[ . 1 . 2]" 1
161 1 29 PHE HA 1 30 PHE QD 3.150 . 4.500 4.255 3.241 4.588 0.088 20 0 "[ . 1 . 2]" 1
162 1 29 PHE QB 1 29 PHE QD 2.900 . 4.000 2.155 2.146 2.190 . 0 0 "[ . 1 . 2]" 1
163 1 29 PHE QB 1 30 PHE QD 3.400 . 5.000 2.964 2.257 4.804 . 0 0 "[ . 1 . 2]" 1
164 1 30 PHE HA 1 30 PHE QD 2.900 . 4.000 2.911 2.289 3.678 . 0 0 "[ . 1 . 2]" 1
165 1 30 PHE H 1 30 PHE HA 2.900 . 4.000 2.903 2.733 2.973 . 0 0 "[ . 1 . 2]" 1
166 1 30 PHE H 1 30 PHE QB 3.400 . 5.000 2.637 2.282 2.839 . 0 0 "[ . 1 . 2]" 1
167 1 30 PHE H 1 30 PHE QD 2.900 . 4.000 2.909 1.772 3.460 0.028 1 0 "[ . 1 . 2]" 1
168 1 30 PHE H 1 31 LYS H 3.400 . 5.000 4.133 2.944 4.653 . 0 0 "[ . 1 . 2]" 1
169 1 30 PHE HA 1 31 LYS HA 3.150 . 4.500 4.440 4.337 4.563 0.063 7 0 "[ . 1 . 2]" 1
170 1 30 PHE QB 1 30 PHE QD 2.900 . 4.000 2.166 2.148 2.223 . 0 0 "[ . 1 . 2]" 1
171 1 30 PHE QB 1 31 LYS HA 3.150 . 4.500 4.426 4.159 4.580 0.080 17 0 "[ . 1 . 2]" 1
172 1 31 LYS H 1 31 LYS QB 3.400 . 5.000 2.661 2.344 3.263 . 0 0 "[ . 1 . 2]" 1
173 2 5 SER H 2 6 ASP H 2.900 . 4.000 4.063 3.649 4.203 0.203 17 0 "[ . 1 . 2]" 1
174 2 6 ASP HA 2 7 PRO QD 2.650 . 3.500 2.108 2.073 2.135 . 0 0 "[ . 1 . 2]" 1
175 2 7 PRO HA 2 10 VAL MG1 3.400 . 5.000 3.933 2.159 4.424 . 0 0 "[ . 1 . 2]" 1
176 2 7 PRO HA 2 10 VAL MG2 3.400 . 5.000 3.118 2.092 4.671 . 0 0 "[ . 1 . 2]" 1
177 2 8 LEU HA 2 8 LEU MD1 2.900 . 4.000 2.842 2.109 3.825 . 0 0 "[ . 1 . 2]" 1
178 2 8 LEU H 2 8 LEU HA 2.900 . 4.000 2.821 2.803 2.840 . 0 0 "[ . 1 . 2]" 1
179 2 8 LEU MD2 3 10 VAL HA 3.400 . 5.000 4.095 2.665 5.085 0.085 18 0 "[ . 1 . 2]" 1
180 2 9 VAL HA 2 9 VAL MG1 3.400 . 5.000 2.384 2.317 2.452 . 0 0 "[ . 1 . 2]" 1
181 2 9 VAL HA 2 9 VAL MG2 2.900 . 4.000 2.390 2.259 3.196 . 0 0 "[ . 1 . 2]" 1
182 2 9 VAL H 2 9 VAL HA 2.900 . 4.000 2.825 2.814 2.846 . 0 0 "[ . 1 . 2]" 1
183 2 9 VAL H 2 9 VAL MG2 2.900 . 4.000 2.180 2.053 2.322 . 0 0 "[ . 1 . 2]" 1
184 2 9 VAL H 2 10 VAL H 2.900 . 4.000 2.713 2.595 2.803 . 0 0 "[ . 1 . 2]" 1
185 2 10 VAL HA 2 10 VAL MG1 3.400 . 5.000 2.435 2.296 3.195 . 0 0 "[ . 1 . 2]" 1
186 2 10 VAL HA 2 10 VAL MG2 2.900 . 4.000 2.437 2.260 3.190 . 0 0 "[ . 1 . 2]" 1
187 2 10 VAL H 2 10 VAL HA 2.900 . 4.000 2.830 2.813 2.860 . 0 0 "[ . 1 . 2]" 1
188 2 10 VAL H 2 10 VAL MG1 3.400 . 5.000 3.332 1.878 3.745 . 0 0 "[ . 1 . 2]" 1
189 2 10 VAL H 2 10 VAL MG2 2.800 . 3.800 2.245 1.762 3.753 0.038 12 0 "[ . 1 . 2]" 1
190 2 10 VAL MG2 2 11 ALA H 3.400 . 5.000 3.524 1.934 3.872 . 0 0 "[ . 1 . 2]" 1
191 2 11 ALA HA 2 14 ILE HB 2.900 . 4.000 2.782 2.343 3.993 . 0 0 "[ . 1 . 2]" 1
192 2 11 ALA HA 2 14 ILE H 2.900 . 4.000 3.443 3.231 3.702 . 0 0 "[ . 1 . 2]" 1
193 2 11 ALA HA 2 14 ILE MD 2.900 . 4.000 2.709 2.286 4.263 0.263 7 0 "[ . 1 . 2]" 1
194 2 10 VAL HB 2 11 ALA H 2.650 . 3.500 2.807 2.460 3.797 0.297 17 0 "[ . 1 . 2]" 1
195 2 10 VAL MG1 2 11 ALA H 2.900 . 4.000 3.238 1.869 3.900 . 0 0 "[ . 1 . 2]" 1
196 2 11 ALA H 2 11 ALA HA 2.900 . 4.000 2.819 2.792 2.837 . 0 0 "[ . 1 . 2]" 1
197 2 11 ALA H 2 11 ALA MB 2.900 . 4.000 2.217 2.192 2.243 . 0 0 "[ . 1 . 2]" 1
198 2 11 ALA MB 2 12 ALA H 3.400 . 5.000 2.547 2.411 2.664 . 0 0 "[ . 1 . 2]" 1
199 2 11 ALA MB 3 17 ILE MD 2.800 . 4.000 4.047 3.868 4.197 0.197 11 0 "[ . 1 . 2]" 1
200 2 12 ALA HA 2 15 ILE HB 2.900 . 4.000 2.775 2.642 3.294 . 0 0 "[ . 1 . 2]" 1
201 2 12 ALA HA 2 15 ILE MD 3.400 . 5.000 3.348 2.312 4.844 . 0 0 "[ . 1 . 2]" 1
202 2 12 ALA MB 3 13 ASN HA 3.400 . 5.000 3.089 2.749 3.559 . 0 0 "[ . 1 . 2]" 1
203 2 12 ALA H 2 12 ALA HA 2.900 . 4.000 2.812 2.775 2.862 . 0 0 "[ . 1 . 2]" 1
204 2 12 ALA H 2 12 ALA MB 2.900 . 4.000 2.220 2.194 2.237 . 0 0 "[ . 1 . 2]" 1
205 2 12 ALA MB 2 13 ASN H 2.900 . 4.000 2.488 2.333 2.666 . 0 0 "[ . 1 . 2]" 1
206 2 12 ALA MB 2 15 ILE MD 3.650 . 5.500 4.514 3.707 5.721 0.221 19 0 "[ . 1 . 2]" 1
207 2 14 ILE HA 2 14 ILE MG 3.400 . 5.000 2.412 2.257 3.185 . 0 0 "[ . 1 . 2]" 1
208 2 14 ILE HA 2 17 ILE HB 2.900 . 4.000 2.911 2.648 3.467 . 0 0 "[ . 1 . 2]" 1
209 2 14 ILE HA 2 17 ILE MD 3.400 . 5.000 2.968 2.405 4.945 . 0 0 "[ . 1 . 2]" 1
210 2 14 ILE H 2 14 ILE HA 2.900 . 4.000 2.831 2.820 2.839 . 0 0 "[ . 1 . 2]" 1
211 2 14 ILE H 2 14 ILE HB 2.900 . 4.000 2.440 2.398 2.624 . 0 0 "[ . 1 . 2]" 1
212 2 14 ILE H 2 14 ILE MD 2.900 . 4.000 3.397 2.748 4.227 0.227 3 0 "[ . 1 . 2]" 1
213 2 14 ILE H 2 14 ILE MG 3.400 . 5.000 3.662 2.163 3.754 . 0 0 "[ . 1 . 2]" 1
214 2 14 ILE H 2 15 ILE H 2.900 . 4.000 2.666 2.638 2.706 . 0 0 "[ . 1 . 2]" 1
215 2 14 ILE MG 2 15 ILE H 2.900 . 4.000 3.243 1.800 3.575 . 0 0 "[ . 1 . 2]" 1
216 2 15 ILE HA 2 15 ILE MG 3.400 . 5.000 2.445 2.321 3.168 . 0 0 "[ . 1 . 2]" 1
217 2 15 ILE HA 2 18 LEU QB 2.900 . 4.000 2.575 2.329 2.703 . 0 0 "[ . 1 . 2]" 1
218 2 15 ILE HA 2 18 LEU MD1 3.400 . 5.000 4.269 2.317 5.300 0.300 4 0 "[ . 1 . 2]" 1
219 2 15 ILE HA 2 18 LEU MD2 3.400 . 5.000 3.864 3.182 4.945 . 0 0 "[ . 1 . 2]" 1
220 2 15 ILE HA 3 20 LEU MD1 2.900 . 4.000 3.923 3.462 4.091 0.091 14 0 "[ . 1 . 2]" 1
221 2 15 ILE HA 3 20 LEU MD2 3.650 . 5.500 5.380 4.910 5.602 0.102 14 0 "[ . 1 . 2]" 1
222 2 15 ILE H 2 15 ILE HA 2.900 . 4.000 2.823 2.814 2.832 . 0 0 "[ . 1 . 2]" 1
223 2 15 ILE H 2 15 ILE HB 2.900 . 4.000 2.387 2.217 2.531 . 0 0 "[ . 1 . 2]" 1
224 2 15 ILE H 2 15 ILE MD 3.400 . 5.000 3.429 1.934 3.777 . 0 0 "[ . 1 . 2]" 1
225 2 15 ILE H 2 15 ILE MG 3.400 . 5.000 3.676 2.713 3.738 . 0 0 "[ . 1 . 2]" 1
226 2 15 ILE HB 3 20 LEU MD1 3.400 . 5.000 3.927 3.798 4.198 . 0 0 "[ . 1 . 2]" 1
227 2 15 ILE MD 3 17 ILE HA 3.650 . 5.500 4.153 3.852 5.209 . 0 0 "[ . 1 . 2]" 1
228 2 15 ILE MD 3 17 ILE QG 3.650 . 5.500 2.651 2.151 3.735 . 0 0 "[ . 1 . 2]" 1
229 2 15 ILE MG 3 17 ILE HA 3.400 . 5.000 3.259 2.696 3.947 . 0 0 "[ . 1 . 2]" 1
230 2 15 ILE MG 3 17 ILE H 3.650 . 5.500 4.762 3.997 5.451 . 0 0 "[ . 1 . 2]" 1
231 2 15 ILE MG 3 20 LEU HG 3.650 . 5.500 3.844 3.271 4.260 . 0 0 "[ . 1 . 2]" 1
232 2 15 ILE MG 3 20 LEU QB 2.900 . 4.000 3.663 3.556 4.093 0.093 8 0 "[ . 1 . 2]" 1
233 2 16 GLY H 2 16 GLY HA3 2.900 . 4.000 2.305 2.302 2.309 . 0 0 "[ . 1 . 2]" 1
234 2 16 GLY H 2 16 GLY HA2 2.900 . 4.000 2.818 2.776 2.841 . 0 0 "[ . 1 . 2]" 1
235 2 16 GLY H 2 17 ILE H 2.900 . 4.000 2.739 2.668 2.930 . 0 0 "[ . 1 . 2]" 1
236 2 17 ILE HA 2 17 ILE MG 3.400 . 5.000 2.379 2.289 2.521 . 0 0 "[ . 1 . 2]" 1
237 2 17 ILE HA 2 20 LEU H 2.900 . 4.000 3.465 3.419 3.536 . 0 0 "[ . 1 . 2]" 1
238 2 17 ILE HA 2 20 LEU MD1 2.900 . 4.000 2.747 2.405 3.349 . 0 0 "[ . 1 . 2]" 1
239 2 17 ILE HA 2 20 LEU MD2 3.650 . 5.500 5.082 4.916 5.217 . 0 0 "[ . 1 . 2]" 1
240 2 17 ILE H 2 17 ILE HA 2.900 . 4.000 2.832 2.825 2.854 . 0 0 "[ . 1 . 2]" 1
241 2 17 ILE H 2 17 ILE HB 2.900 . 4.000 2.423 2.293 2.598 . 0 0 "[ . 1 . 2]" 1
242 2 17 ILE H 2 17 ILE MG 3.400 . 5.000 3.734 3.702 3.766 . 0 0 "[ . 1 . 2]" 1
243 2 17 ILE H 2 18 LEU H 2.900 . 4.000 2.652 2.629 2.667 . 0 0 "[ . 1 . 2]" 1
244 2 17 ILE MG 2 18 LEU H 2.900 . 4.000 3.316 3.088 3.563 . 0 0 "[ . 1 . 2]" 1
245 2 18 LEU HA 2 18 LEU MD1 3.400 . 5.000 2.677 2.077 3.819 . 0 0 "[ . 1 . 2]" 1
246 2 18 LEU HA 2 21 ILE H 2.900 . 4.000 3.372 3.299 3.538 . 0 0 "[ . 1 . 2]" 1
247 2 18 LEU HA 2 21 ILE MD 2.900 . 4.000 2.368 2.212 4.046 0.046 17 0 "[ . 1 . 2]" 1
248 2 18 LEU H 2 18 LEU HA 2.900 . 4.000 2.812 2.794 2.821 . 0 0 "[ . 1 . 2]" 1
249 2 18 LEU H 2 18 LEU QB 2.900 . 4.000 2.287 2.241 2.384 . 0 0 "[ . 1 . 2]" 1
250 2 18 LEU H 2 18 LEU MD1 3.400 . 5.000 3.857 3.386 4.298 . 0 0 "[ . 1 . 2]" 1
251 2 18 LEU H 2 18 LEU MD2 3.400 . 5.000 4.066 3.504 4.299 . 0 0 "[ . 1 . 2]" 1
252 2 18 LEU H 2 19 HIS H 2.900 . 4.000 2.674 2.637 2.750 . 0 0 "[ . 1 . 2]" 1
253 2 18 LEU QB 3 20 LEU MD1 3.650 . 5.500 4.328 4.266 4.427 . 0 0 "[ . 1 . 2]" 1
254 2 18 LEU QB 3 20 LEU MD2 3.400 . 5.000 4.772 4.564 5.036 0.036 8 0 "[ . 1 . 2]" 1
255 2 18 LEU QB 2 19 HIS H 3.400 . 5.000 2.602 2.440 2.663 . 0 0 "[ . 1 . 2]" 1
256 2 19 HIS HA 3 20 LEU MD1 2.900 . 4.000 4.110 4.062 4.221 0.221 9 0 "[ . 1 . 2]" 1
257 2 19 HIS HA 3 20 LEU MD2 2.650 . 3.500 2.977 2.857 3.338 . 0 0 "[ . 1 . 2]" 1
258 2 19 HIS H 2 19 HIS HA 2.900 . 4.000 2.806 2.801 2.820 . 0 0 "[ . 1 . 2]" 1
259 2 19 HIS H 2 19 HIS QB 2.900 . 4.000 2.262 2.251 2.275 . 0 0 "[ . 1 . 2]" 1
260 2 19 HIS H 2 20 LEU H 2.900 . 4.000 2.708 2.675 2.726 . 0 0 "[ . 1 . 2]" 1
261 2 19 HIS H 3 20 LEU MD1 3.400 . 5.000 3.996 3.850 4.363 . 0 0 "[ . 1 . 2]" 1
262 2 19 HIS H 3 20 LEU MD2 3.400 . 5.000 4.224 4.105 4.700 . 0 0 "[ . 1 . 2]" 1
263 2 19 HIS QB 3 20 LEU MD1 3.400 . 5.000 2.455 2.256 2.848 . 0 0 "[ . 1 . 2]" 1
264 2 19 HIS QB 3 20 LEU MD2 3.400 . 5.000 2.333 2.265 2.833 . 0 0 "[ . 1 . 2]" 1
265 2 19 HIS HD2 2 20 LEU MD1 3.400 . 5.000 5.151 5.074 5.267 0.267 8 0 "[ . 1 . 2]" 1
266 2 19 HIS HD2 2 20 LEU MD2 2.900 . 4.000 4.022 3.731 4.268 0.268 7 0 "[ . 1 . 2]" 1
267 2 19 HIS HE1 3 23 TRP QB 3.400 . 5.000 2.748 2.605 2.923 . 0 0 "[ . 1 . 2]" 1
268 2 19 HIS HE1 3 23 TRP HE3 3.650 . 5.500 2.724 2.656 2.805 . 0 0 "[ . 1 . 2]" 1
269 2 20 LEU HA 2 20 LEU MD1 3.650 . 5.500 3.735 3.697 3.774 . 0 0 "[ . 1 . 2]" 1
270 2 20 LEU HA 2 20 LEU MD2 3.400 . 5.000 2.266 2.188 2.291 . 0 0 "[ . 1 . 2]" 1
271 2 20 LEU HA 2 23 TRP QB 2.900 . 4.000 2.451 2.369 2.535 . 0 0 "[ . 1 . 2]" 1
272 2 20 LEU H 2 20 LEU HA 2.900 . 4.000 2.812 2.797 2.819 . 0 0 "[ . 1 . 2]" 1
273 2 20 LEU H 2 20 LEU QB 3.400 . 5.000 2.146 2.053 2.202 . 0 0 "[ . 1 . 2]" 1
274 2 20 LEU H 2 20 LEU MD1 3.400 . 5.000 3.486 3.367 3.751 . 0 0 "[ . 1 . 2]" 1
275 2 20 LEU H 2 20 LEU MD2 3.400 . 5.000 4.106 3.983 4.217 . 0 0 "[ . 1 . 2]" 1
276 2 20 LEU H 2 21 ILE H 2.900 . 4.000 2.732 2.705 2.753 . 0 0 "[ . 1 . 2]" 1
277 2 21 ILE HA 2 21 ILE MD 3.400 . 5.000 3.727 2.087 3.834 . 0 0 "[ . 1 . 2]" 1
278 2 21 ILE HA 2 21 ILE MG 3.400 . 5.000 2.374 2.288 2.399 . 0 0 "[ . 1 . 2]" 1
279 2 21 ILE HA 2 24 ILE MG 2.900 . 4.000 2.959 2.157 4.093 0.093 3 0 "[ . 1 . 2]" 1
280 2 21 ILE H 2 21 ILE HA 2.900 . 4.000 2.816 2.803 2.823 . 0 0 "[ . 1 . 2]" 1
281 2 21 ILE H 2 21 ILE HB 2.900 . 4.000 2.461 2.406 2.625 . 0 0 "[ . 1 . 2]" 1
282 2 21 ILE H 2 21 ILE MD 3.400 . 5.000 3.407 2.740 3.473 . 0 0 "[ . 1 . 2]" 1
283 2 21 ILE H 2 21 ILE MG 3.400 . 5.000 3.743 3.729 3.751 . 0 0 "[ . 1 . 2]" 1
284 2 21 ILE H 2 22 LEU H 2.900 . 4.000 2.752 2.710 2.831 . 0 0 "[ . 1 . 2]" 1
285 2 21 ILE MG 2 22 LEU H 3.400 . 5.000 3.288 3.203 3.506 . 0 0 "[ . 1 . 2]" 1
286 2 22 LEU HA 2 22 LEU MD2 2.900 . 4.000 2.489 2.113 3.808 . 0 0 "[ . 1 . 2]" 1
287 2 22 LEU H 2 22 LEU HA 2.900 . 4.000 2.861 2.842 2.872 . 0 0 "[ . 1 . 2]" 1
288 2 22 LEU H 2 22 LEU QB 3.400 . 5.000 2.360 2.173 2.527 . 0 0 "[ . 1 . 2]" 1
289 2 22 LEU H 2 22 LEU MD2 3.400 . 5.000 3.145 1.851 4.293 . 0 0 "[ . 1 . 2]" 1
290 2 22 LEU H 2 23 TRP H 2.900 . 4.000 2.613 2.555 2.689 . 0 0 "[ . 1 . 2]" 1
291 2 23 TRP HA 2 26 ASP H 2.900 . 4.000 3.499 3.269 3.604 . 0 0 "[ . 1 . 2]" 1
292 2 23 TRP H 2 23 TRP HA 2.900 . 4.000 2.834 2.814 2.847 . 0 0 "[ . 1 . 2]" 1
293 2 23 TRP H 2 23 TRP QB 2.900 . 4.000 2.240 2.215 2.267 . 0 0 "[ . 1 . 2]" 1
294 2 23 TRP H 2 24 ILE H 2.900 . 4.000 2.693 2.620 2.784 . 0 0 "[ . 1 . 2]" 1
295 2 24 ILE HA 2 24 ILE HB 2.900 . 4.000 2.745 2.542 3.029 . 0 0 "[ . 1 . 2]" 1
296 2 24 ILE HA 2 24 ILE MG 3.400 . 5.000 2.915 2.439 3.206 . 0 0 "[ . 1 . 2]" 1
297 2 24 ILE H 2 24 ILE HA 2.900 . 4.000 2.829 2.813 2.841 . 0 0 "[ . 1 . 2]" 1
298 2 24 ILE H 2 24 ILE HB 2.900 . 4.000 2.366 2.295 2.400 . 0 0 "[ . 1 . 2]" 1
299 2 24 ILE H 2 24 ILE MG 3.400 . 5.000 2.898 2.296 3.745 . 0 0 "[ . 1 . 2]" 1
300 2 24 ILE H 2 25 LEU H 2.900 . 4.000 2.651 2.601 2.742 . 0 0 "[ . 1 . 2]" 1
301 2 23 TRP HE3 2 24 ILE MD 3.150 . 4.500 3.841 2.890 4.298 . 0 0 "[ . 1 . 2]" 1
302 2 23 TRP HZ3 2 24 ILE MD 3.400 . 5.000 3.605 2.513 4.422 . 0 0 "[ . 1 . 2]" 1
303 2 24 ILE MG 2 25 LEU HA 2.900 . 4.000 3.114 3.008 3.269 . 0 0 "[ . 1 . 2]" 1
304 2 24 ILE MG 2 25 LEU H 2.900 . 4.000 2.333 1.746 3.230 0.054 8 0 "[ . 1 . 2]" 1
305 2 24 ILE MG 2 28 LEU MD1 3.150 . 4.500 4.051 2.710 4.614 0.114 3 0 "[ . 1 . 2]" 1
306 2 25 LEU HA 2 25 LEU MD2 2.900 . 4.000 3.040 2.145 3.803 . 0 0 "[ . 1 . 2]" 1
307 2 25 LEU HA 2 26 ASP H 3.400 . 5.000 3.544 3.515 3.564 . 0 0 "[ . 1 . 2]" 1
308 2 25 LEU H 2 25 LEU HA 2.900 . 4.000 2.819 2.803 2.836 . 0 0 "[ . 1 . 2]" 1
309 2 25 LEU H 2 25 LEU QB 3.400 . 5.000 2.263 2.135 2.375 . 0 0 "[ . 1 . 2]" 1
310 2 25 LEU H 2 26 ASP H 2.900 . 4.000 2.679 2.616 2.737 . 0 0 "[ . 1 . 2]" 1
311 2 25 LEU HA 2 29 PHE QD 3.650 . 5.500 4.340 2.663 5.275 . 0 0 "[ . 1 . 2]" 1
312 2 25 LEU MD2 2 29 PHE QD 3.650 . 5.500 4.385 2.942 5.532 0.032 14 0 "[ . 1 . 2]" 1
313 2 26 ASP H 2 26 ASP HA 2.900 . 4.000 2.809 2.765 2.832 . 0 0 "[ . 1 . 2]" 1
314 2 26 ASP H 2 26 ASP QB 2.900 . 4.000 2.299 2.228 2.375 . 0 0 "[ . 1 . 2]" 1
315 2 26 ASP H 2 27 ARG H 2.900 . 4.000 2.706 2.625 2.845 . 0 0 "[ . 1 . 2]" 1
316 2 26 ASP H 3 27 ARG QH1 3.650 . 5.500 4.649 3.434 5.517 0.017 12 0 "[ . 1 . 2]" 1
317 2 26 ASP H 3 27 ARG QH2 3.650 . 5.500 4.617 3.057 5.543 0.043 20 0 "[ . 1 . 2]" 1
318 2 27 ARG H 2 27 ARG HA 2.900 . 4.000 2.837 2.791 2.908 . 0 0 "[ . 1 . 2]" 1
319 2 27 ARG H 2 27 ARG QB 2.900 . 4.000 2.298 2.219 2.467 . 0 0 "[ . 1 . 2]" 1
320 2 28 LEU HA 2 28 LEU MD2 3.400 . 5.000 2.972 2.165 3.818 . 0 0 "[ . 1 . 2]" 1
321 2 28 LEU H 2 28 LEU HA 2.900 . 4.000 2.818 2.806 2.825 . 0 0 "[ . 1 . 2]" 1
322 2 28 LEU H 2 28 LEU QB 2.900 . 4.000 2.227 2.140 2.368 . 0 0 "[ . 1 . 2]" 1
323 2 28 LEU H 2 29 PHE QD 3.400 . 5.000 4.082 3.637 4.486 . 0 0 "[ . 1 . 2]" 1
324 2 28 LEU MD1 2 29 PHE QE 3.400 . 5.000 4.495 3.312 5.147 0.147 8 0 "[ . 1 . 2]" 1
325 2 28 LEU MD1 2 29 PHE QD 3.650 . 5.500 4.590 3.672 5.184 . 0 0 "[ . 1 . 2]" 1
326 2 28 LEU MD2 2 29 PHE QE 3.400 . 5.000 4.074 2.471 5.121 0.121 12 0 "[ . 1 . 2]" 1
327 2 28 LEU MD2 2 29 PHE QD 3.650 . 5.500 4.069 3.095 4.996 . 0 0 "[ . 1 . 2]" 1
328 2 29 PHE HA 2 29 PHE QD 3.400 . 5.000 2.819 2.475 3.071 . 0 0 "[ . 1 . 2]" 1
329 2 29 PHE H 2 29 PHE HA 2.900 . 4.000 2.883 2.818 2.953 . 0 0 "[ . 1 . 2]" 1
330 2 29 PHE H 2 29 PHE QB 3.400 . 5.000 2.336 2.194 2.446 . 0 0 "[ . 1 . 2]" 1
331 2 29 PHE H 2 29 PHE QD 2.900 . 4.000 2.343 1.963 2.794 . 0 0 "[ . 1 . 2]" 1
332 2 29 PHE H 2 30 PHE H 2.900 . 4.000 2.662 2.340 3.088 . 0 0 "[ . 1 . 2]" 1
333 2 29 PHE HA 2 30 PHE QD 3.150 . 4.500 4.256 3.241 4.587 0.087 20 0 "[ . 1 . 2]" 1
334 2 29 PHE QB 2 29 PHE QD 2.900 . 4.000 2.155 2.146 2.190 . 0 0 "[ . 1 . 2]" 1
335 2 29 PHE QB 2 30 PHE QD 3.400 . 5.000 2.964 2.256 4.805 . 0 0 "[ . 1 . 2]" 1
336 2 30 PHE HA 2 30 PHE QD 2.900 . 4.000 2.911 2.288 3.678 . 0 0 "[ . 1 . 2]" 1
337 2 30 PHE H 2 30 PHE HA 2.900 . 4.000 2.903 2.732 2.972 . 0 0 "[ . 1 . 2]" 1
338 2 30 PHE H 2 30 PHE QB 3.400 . 5.000 2.637 2.281 2.839 . 0 0 "[ . 1 . 2]" 1
339 2 30 PHE H 2 30 PHE QD 2.900 . 4.000 2.908 1.771 3.459 0.029 1 0 "[ . 1 . 2]" 1
340 2 30 PHE H 2 31 LYS H 3.400 . 5.000 4.134 2.956 4.652 . 0 0 "[ . 1 . 2]" 1
341 2 30 PHE HA 2 31 LYS HA 3.150 . 4.500 4.440 4.337 4.561 0.061 7 0 "[ . 1 . 2]" 1
342 2 30 PHE QB 2 30 PHE QD 2.900 . 4.000 2.166 2.148 2.222 . 0 0 "[ . 1 . 2]" 1
343 2 30 PHE QB 2 31 LYS HA 3.150 . 4.500 4.426 4.158 4.580 0.080 17 0 "[ . 1 . 2]" 1
344 2 31 LYS H 2 31 LYS QB 3.400 . 5.000 2.661 2.343 3.261 . 0 0 "[ . 1 . 2]" 1
345 3 5 SER H 3 6 ASP H 2.900 . 4.000 4.062 3.649 4.202 0.202 17 0 "[ . 1 . 2]" 1
346 3 6 ASP HA 3 7 PRO QD 2.650 . 3.500 2.108 2.072 2.136 . 0 0 "[ . 1 . 2]" 1
347 3 7 PRO HA 3 10 VAL MG1 3.400 . 5.000 3.934 2.159 4.424 . 0 0 "[ . 1 . 2]" 1
348 3 7 PRO HA 3 10 VAL MG2 3.400 . 5.000 3.118 2.090 4.673 . 0 0 "[ . 1 . 2]" 1
349 3 8 LEU HA 3 8 LEU MD1 2.900 . 4.000 2.842 2.109 3.825 . 0 0 "[ . 1 . 2]" 1
350 3 8 LEU H 3 8 LEU HA 2.900 . 4.000 2.821 2.802 2.841 . 0 0 "[ . 1 . 2]" 1
351 3 8 LEU MD2 4 10 VAL HA 3.400 . 5.000 4.136 2.686 5.049 0.049 18 0 "[ . 1 . 2]" 1
352 3 9 VAL HA 3 9 VAL MG1 3.400 . 5.000 2.383 2.327 2.457 . 0 0 "[ . 1 . 2]" 1
353 3 9 VAL HA 3 9 VAL MG2 2.900 . 4.000 2.391 2.256 3.196 . 0 0 "[ . 1 . 2]" 1
354 3 9 VAL H 3 9 VAL HA 2.900 . 4.000 2.824 2.813 2.844 . 0 0 "[ . 1 . 2]" 1
355 3 9 VAL H 3 9 VAL MG2 2.900 . 4.000 2.180 2.089 2.324 . 0 0 "[ . 1 . 2]" 1
356 3 9 VAL H 3 10 VAL H 2.900 . 4.000 2.713 2.595 2.807 . 0 0 "[ . 1 . 2]" 1
357 3 10 VAL HA 3 10 VAL MG1 3.400 . 5.000 2.436 2.295 3.196 . 0 0 "[ . 1 . 2]" 1
358 3 10 VAL HA 3 10 VAL MG2 2.900 . 4.000 2.438 2.259 3.189 . 0 0 "[ . 1 . 2]" 1
359 3 10 VAL H 3 10 VAL HA 2.900 . 4.000 2.830 2.812 2.860 . 0 0 "[ . 1 . 2]" 1
360 3 10 VAL H 3 10 VAL MG1 3.400 . 5.000 3.332 1.877 3.745 . 0 0 "[ . 1 . 2]" 1
361 3 10 VAL H 3 10 VAL MG2 2.800 . 3.800 2.244 1.761 3.752 0.039 12 0 "[ . 1 . 2]" 1
362 3 10 VAL MG2 3 11 ALA H 3.400 . 5.000 3.524 1.935 3.872 . 0 0 "[ . 1 . 2]" 1
363 3 11 ALA HA 3 14 ILE HB 2.900 . 4.000 2.782 2.343 3.994 . 0 0 "[ . 1 . 2]" 1
364 3 11 ALA HA 3 14 ILE H 2.900 . 4.000 3.443 3.234 3.703 . 0 0 "[ . 1 . 2]" 1
365 3 11 ALA HA 3 14 ILE MD 2.900 . 4.000 2.711 2.286 4.260 0.260 7 0 "[ . 1 . 2]" 1
366 3 10 VAL HB 3 11 ALA H 2.650 . 3.500 2.807 2.456 3.798 0.298 17 0 "[ . 1 . 2]" 1
367 3 10 VAL MG1 3 11 ALA H 2.900 . 4.000 3.239 1.870 3.900 . 0 0 "[ . 1 . 2]" 1
368 3 11 ALA H 3 11 ALA HA 2.900 . 4.000 2.819 2.791 2.836 . 0 0 "[ . 1 . 2]" 1
369 3 11 ALA H 3 11 ALA MB 2.900 . 4.000 2.218 2.194 2.245 . 0 0 "[ . 1 . 2]" 1
370 3 11 ALA MB 3 12 ALA H 3.400 . 5.000 2.546 2.410 2.665 . 0 0 "[ . 1 . 2]" 1
371 3 11 ALA MB 4 17 ILE MD 2.800 . 4.000 4.049 3.799 4.165 0.165 11 0 "[ . 1 . 2]" 1
372 3 12 ALA HA 3 15 ILE HB 2.900 . 4.000 2.775 2.639 3.300 . 0 0 "[ . 1 . 2]" 1
373 3 12 ALA HA 3 15 ILE MD 3.400 . 5.000 3.345 2.310 4.841 . 0 0 "[ . 1 . 2]" 1
374 3 12 ALA MB 4 13 ASN HA 3.400 . 5.000 3.096 2.677 3.437 . 0 0 "[ . 1 . 2]" 1
375 3 12 ALA H 3 12 ALA HA 2.900 . 4.000 2.811 2.774 2.860 . 0 0 "[ . 1 . 2]" 1
376 3 12 ALA H 3 12 ALA MB 2.900 . 4.000 2.220 2.186 2.236 . 0 0 "[ . 1 . 2]" 1
377 3 12 ALA MB 3 13 ASN H 2.900 . 4.000 2.487 2.332 2.662 . 0 0 "[ . 1 . 2]" 1
378 3 12 ALA MB 3 15 ILE MD 3.650 . 5.500 4.512 3.717 5.721 0.221 4 0 "[ . 1 . 2]" 1
379 3 14 ILE HA 3 14 ILE MG 3.400 . 5.000 2.412 2.258 3.185 . 0 0 "[ . 1 . 2]" 1
380 3 14 ILE HA 3 17 ILE HB 2.900 . 4.000 2.911 2.648 3.469 . 0 0 "[ . 1 . 2]" 1
381 3 14 ILE HA 3 17 ILE MD 3.400 . 5.000 2.967 2.403 4.957 . 0 0 "[ . 1 . 2]" 1
382 3 14 ILE H 3 14 ILE HA 2.900 . 4.000 2.831 2.822 2.836 . 0 0 "[ . 1 . 2]" 1
383 3 14 ILE H 3 14 ILE HB 2.900 . 4.000 2.440 2.399 2.626 . 0 0 "[ . 1 . 2]" 1
384 3 14 ILE H 3 14 ILE MD 2.900 . 4.000 3.399 2.750 4.227 0.227 3 0 "[ . 1 . 2]" 1
385 3 14 ILE H 3 14 ILE MG 3.400 . 5.000 3.662 2.164 3.753 . 0 0 "[ . 1 . 2]" 1
386 3 14 ILE H 3 15 ILE H 2.900 . 4.000 2.667 2.637 2.706 . 0 0 "[ . 1 . 2]" 1
387 3 14 ILE MG 3 15 ILE H 2.900 . 4.000 3.243 1.798 3.572 0.002 3 0 "[ . 1 . 2]" 1
388 3 15 ILE HA 3 15 ILE MG 3.400 . 5.000 2.444 2.314 3.169 . 0 0 "[ . 1 . 2]" 1
389 3 15 ILE HA 3 18 LEU QB 2.900 . 4.000 2.575 2.331 2.704 . 0 0 "[ . 1 . 2]" 1
390 3 15 ILE HA 3 18 LEU MD1 3.400 . 5.000 4.269 2.311 5.299 0.299 4 0 "[ . 1 . 2]" 1
391 3 15 ILE HA 3 18 LEU MD2 3.400 . 5.000 3.865 3.185 4.944 . 0 0 "[ . 1 . 2]" 1
392 3 15 ILE HA 4 20 LEU MD1 2.900 . 4.000 3.921 3.461 4.091 0.091 14 0 "[ . 1 . 2]" 1
393 3 15 ILE HA 4 20 LEU MD2 3.650 . 5.500 5.377 4.904 5.613 0.113 7 0 "[ . 1 . 2]" 1
394 3 15 ILE H 3 15 ILE HA 2.900 . 4.000 2.823 2.814 2.832 . 0 0 "[ . 1 . 2]" 1
395 3 15 ILE H 3 15 ILE HB 2.900 . 4.000 2.388 2.218 2.530 . 0 0 "[ . 1 . 2]" 1
396 3 15 ILE H 3 15 ILE MD 3.400 . 5.000 3.428 1.935 3.776 . 0 0 "[ . 1 . 2]" 1
397 3 15 ILE H 3 15 ILE MG 3.400 . 5.000 3.676 2.714 3.736 . 0 0 "[ . 1 . 2]" 1
398 3 15 ILE HB 4 20 LEU MD1 3.400 . 5.000 3.919 3.796 4.093 . 0 0 "[ . 1 . 2]" 1
399 3 15 ILE MD 4 17 ILE HA 3.650 . 5.500 4.158 3.819 5.142 . 0 0 "[ . 1 . 2]" 1
400 3 15 ILE MD 4 17 ILE QG 3.650 . 5.500 2.660 2.179 3.682 . 0 0 "[ . 1 . 2]" 1
401 3 15 ILE MG 4 17 ILE HA 3.400 . 5.000 3.260 2.673 3.926 . 0 0 "[ . 1 . 2]" 1
402 3 15 ILE MG 4 17 ILE H 3.650 . 5.500 4.771 3.994 5.392 . 0 0 "[ . 1 . 2]" 1
403 3 15 ILE MG 4 20 LEU HG 3.650 . 5.500 3.842 3.274 4.246 . 0 0 "[ . 1 . 2]" 1
404 3 15 ILE MG 4 20 LEU QB 2.900 . 4.000 3.656 3.541 4.094 0.094 8 0 "[ . 1 . 2]" 1
405 3 16 GLY H 3 16 GLY HA3 2.900 . 4.000 2.304 2.301 2.309 . 0 0 "[ . 1 . 2]" 1
406 3 16 GLY H 3 16 GLY HA2 2.900 . 4.000 2.818 2.776 2.840 . 0 0 "[ . 1 . 2]" 1
407 3 16 GLY H 3 17 ILE H 2.900 . 4.000 2.739 2.666 2.929 . 0 0 "[ . 1 . 2]" 1
408 3 17 ILE HA 3 17 ILE MG 3.400 . 5.000 2.379 2.290 2.521 . 0 0 "[ . 1 . 2]" 1
409 3 17 ILE HA 3 20 LEU H 2.900 . 4.000 3.464 3.420 3.529 . 0 0 "[ . 1 . 2]" 1
410 3 17 ILE HA 3 20 LEU MD1 2.900 . 4.000 2.743 2.397 3.351 . 0 0 "[ . 1 . 2]" 1
411 3 17 ILE HA 3 20 LEU MD2 3.650 . 5.500 5.081 4.912 5.216 . 0 0 "[ . 1 . 2]" 1
412 3 17 ILE H 3 17 ILE HA 2.900 . 4.000 2.832 2.826 2.856 . 0 0 "[ . 1 . 2]" 1
413 3 17 ILE H 3 17 ILE HB 2.900 . 4.000 2.423 2.290 2.598 . 0 0 "[ . 1 . 2]" 1
414 3 17 ILE H 3 17 ILE MG 3.400 . 5.000 3.734 3.701 3.767 . 0 0 "[ . 1 . 2]" 1
415 3 17 ILE H 3 18 LEU H 2.900 . 4.000 2.652 2.628 2.668 . 0 0 "[ . 1 . 2]" 1
416 3 17 ILE MG 3 18 LEU H 2.900 . 4.000 3.316 3.087 3.559 . 0 0 "[ . 1 . 2]" 1
417 3 18 LEU HA 3 18 LEU MD1 3.400 . 5.000 2.677 2.077 3.820 . 0 0 "[ . 1 . 2]" 1
418 3 18 LEU HA 3 21 ILE H 2.900 . 4.000 3.372 3.300 3.535 . 0 0 "[ . 1 . 2]" 1
419 3 18 LEU HA 3 21 ILE MD 2.900 . 4.000 2.368 2.213 4.048 0.048 17 0 "[ . 1 . 2]" 1
420 3 18 LEU H 3 18 LEU HA 2.900 . 4.000 2.812 2.793 2.822 . 0 0 "[ . 1 . 2]" 1
421 3 18 LEU H 3 18 LEU QB 2.900 . 4.000 2.287 2.243 2.381 . 0 0 "[ . 1 . 2]" 1
422 3 18 LEU H 3 18 LEU MD1 3.400 . 5.000 3.857 3.385 4.298 . 0 0 "[ . 1 . 2]" 1
423 3 18 LEU H 3 18 LEU MD2 3.400 . 5.000 4.066 3.504 4.300 . 0 0 "[ . 1 . 2]" 1
424 3 18 LEU H 3 19 HIS H 2.900 . 4.000 2.673 2.635 2.753 . 0 0 "[ . 1 . 2]" 1
425 3 18 LEU QB 4 20 LEU MD1 3.650 . 5.500 4.330 4.235 4.421 . 0 0 "[ . 1 . 2]" 1
426 3 18 LEU QB 4 20 LEU MD2 3.400 . 5.000 4.773 4.582 5.034 0.034 8 0 "[ . 1 . 2]" 1
427 3 18 LEU QB 3 19 HIS H 3.400 . 5.000 2.603 2.440 2.661 . 0 0 "[ . 1 . 2]" 1
428 3 19 HIS HA 4 20 LEU MD1 2.900 . 4.000 4.113 4.020 4.225 0.225 9 0 "[ . 1 . 2]" 1
429 3 19 HIS HA 4 20 LEU MD2 2.650 . 3.500 2.982 2.861 3.333 . 0 0 "[ . 1 . 2]" 1
430 3 19 HIS H 3 19 HIS HA 2.900 . 4.000 2.806 2.799 2.820 . 0 0 "[ . 1 . 2]" 1
431 3 19 HIS H 3 19 HIS QB 2.900 . 4.000 2.262 2.252 2.274 . 0 0 "[ . 1 . 2]" 1
432 3 19 HIS H 3 20 LEU H 2.900 . 4.000 2.708 2.677 2.724 . 0 0 "[ . 1 . 2]" 1
433 3 19 HIS H 4 20 LEU MD1 3.400 . 5.000 3.996 3.845 4.364 . 0 0 "[ . 1 . 2]" 1
434 3 19 HIS H 4 20 LEU MD2 3.400 . 5.000 4.226 4.120 4.700 . 0 0 "[ . 1 . 2]" 1
435 3 19 HIS QB 4 20 LEU MD1 3.400 . 5.000 2.454 2.271 2.848 . 0 0 "[ . 1 . 2]" 1
436 3 19 HIS QB 4 20 LEU MD2 3.400 . 5.000 2.335 2.250 2.824 . 0 0 "[ . 1 . 2]" 1
437 3 19 HIS HD2 3 20 LEU MD1 3.400 . 5.000 5.151 5.084 5.265 0.265 8 0 "[ . 1 . 2]" 1
438 3 19 HIS HD2 3 20 LEU MD2 2.900 . 4.000 4.024 3.731 4.265 0.265 7 0 "[ . 1 . 2]" 1
439 3 19 HIS HE1 4 23 TRP QB 3.400 . 5.000 2.751 2.591 2.934 . 0 0 "[ . 1 . 2]" 1
440 3 19 HIS HE1 4 23 TRP HE3 3.650 . 5.500 2.727 2.662 2.763 . 0 0 "[ . 1 . 2]" 1
441 3 20 LEU HA 3 20 LEU MD1 3.650 . 5.500 3.735 3.700 3.775 . 0 0 "[ . 1 . 2]" 1
442 3 20 LEU HA 3 20 LEU MD2 3.400 . 5.000 2.266 2.189 2.289 . 0 0 "[ . 1 . 2]" 1
443 3 20 LEU HA 3 23 TRP QB 2.900 . 4.000 2.452 2.368 2.537 . 0 0 "[ . 1 . 2]" 1
444 3 20 LEU H 3 20 LEU HA 2.900 . 4.000 2.812 2.800 2.820 . 0 0 "[ . 1 . 2]" 1
445 3 20 LEU H 3 20 LEU QB 3.400 . 5.000 2.145 2.054 2.200 . 0 0 "[ . 1 . 2]" 1
446 3 20 LEU H 3 20 LEU MD1 3.400 . 5.000 3.483 3.357 3.752 . 0 0 "[ . 1 . 2]" 1
447 3 20 LEU H 3 20 LEU MD2 3.400 . 5.000 4.105 3.983 4.216 . 0 0 "[ . 1 . 2]" 1
448 3 20 LEU H 3 21 ILE H 2.900 . 4.000 2.733 2.707 2.755 . 0 0 "[ . 1 . 2]" 1
449 3 21 ILE HA 3 21 ILE MD 3.400 . 5.000 3.727 2.088 3.834 . 0 0 "[ . 1 . 2]" 1
450 3 21 ILE HA 3 21 ILE MG 3.400 . 5.000 2.374 2.289 2.400 . 0 0 "[ . 1 . 2]" 1
451 3 21 ILE HA 3 24 ILE MG 2.900 . 4.000 2.959 2.160 4.093 0.093 3 0 "[ . 1 . 2]" 1
452 3 21 ILE H 3 21 ILE HA 2.900 . 4.000 2.816 2.802 2.821 . 0 0 "[ . 1 . 2]" 1
453 3 21 ILE H 3 21 ILE HB 2.900 . 4.000 2.461 2.408 2.624 . 0 0 "[ . 1 . 2]" 1
454 3 21 ILE H 3 21 ILE MD 3.400 . 5.000 3.408 2.740 3.473 . 0 0 "[ . 1 . 2]" 1
455 3 21 ILE H 3 21 ILE MG 3.400 . 5.000 3.743 3.730 3.751 . 0 0 "[ . 1 . 2]" 1
456 3 21 ILE H 3 22 LEU H 2.900 . 4.000 2.752 2.710 2.832 . 0 0 "[ . 1 . 2]" 1
457 3 21 ILE MG 3 22 LEU H 3.400 . 5.000 3.288 3.203 3.505 . 0 0 "[ . 1 . 2]" 1
458 3 22 LEU HA 3 22 LEU MD2 2.900 . 4.000 2.489 2.114 3.807 . 0 0 "[ . 1 . 2]" 1
459 3 22 LEU H 3 22 LEU HA 2.900 . 4.000 2.861 2.841 2.871 . 0 0 "[ . 1 . 2]" 1
460 3 22 LEU H 3 22 LEU QB 3.400 . 5.000 2.361 2.172 2.531 . 0 0 "[ . 1 . 2]" 1
461 3 22 LEU H 3 22 LEU MD2 3.400 . 5.000 3.145 1.850 4.292 . 0 0 "[ . 1 . 2]" 1
462 3 22 LEU H 3 23 TRP H 2.900 . 4.000 2.612 2.550 2.689 . 0 0 "[ . 1 . 2]" 1
463 3 23 TRP HA 3 26 ASP H 2.900 . 4.000 3.499 3.271 3.605 . 0 0 "[ . 1 . 2]" 1
464 3 23 TRP H 3 23 TRP HA 2.900 . 4.000 2.834 2.812 2.848 . 0 0 "[ . 1 . 2]" 1
465 3 23 TRP H 3 23 TRP QB 2.900 . 4.000 2.240 2.213 2.267 . 0 0 "[ . 1 . 2]" 1
466 3 23 TRP H 3 24 ILE H 2.900 . 4.000 2.693 2.617 2.781 . 0 0 "[ . 1 . 2]" 1
467 3 24 ILE HA 3 24 ILE HB 2.900 . 4.000 2.745 2.542 3.027 . 0 0 "[ . 1 . 2]" 1
468 3 24 ILE HA 3 24 ILE MG 3.400 . 5.000 2.915 2.439 3.206 . 0 0 "[ . 1 . 2]" 1
469 3 24 ILE H 3 24 ILE HA 2.900 . 4.000 2.829 2.813 2.841 . 0 0 "[ . 1 . 2]" 1
470 3 24 ILE H 3 24 ILE HB 2.900 . 4.000 2.366 2.296 2.398 . 0 0 "[ . 1 . 2]" 1
471 3 24 ILE H 3 24 ILE MG 3.400 . 5.000 2.898 2.293 3.746 . 0 0 "[ . 1 . 2]" 1
472 3 24 ILE H 3 25 LEU H 2.900 . 4.000 2.651 2.599 2.741 . 0 0 "[ . 1 . 2]" 1
473 3 23 TRP HE3 3 24 ILE MD 3.150 . 4.500 3.840 2.882 4.302 . 0 0 "[ . 1 . 2]" 1
474 3 23 TRP HZ3 3 24 ILE MD 3.400 . 5.000 3.604 2.503 4.422 . 0 0 "[ . 1 . 2]" 1
475 3 24 ILE MG 3 25 LEU HA 2.900 . 4.000 3.115 3.009 3.270 . 0 0 "[ . 1 . 2]" 1
476 3 24 ILE MG 3 25 LEU H 2.900 . 4.000 2.333 1.748 3.229 0.052 8 0 "[ . 1 . 2]" 1
477 3 24 ILE MG 3 28 LEU MD1 3.150 . 4.500 4.050 2.712 4.614 0.114 3 0 "[ . 1 . 2]" 1
478 3 25 LEU HA 3 25 LEU MD2 2.900 . 4.000 3.040 2.143 3.803 . 0 0 "[ . 1 . 2]" 1
479 3 25 LEU HA 3 26 ASP H 3.400 . 5.000 3.543 3.518 3.563 . 0 0 "[ . 1 . 2]" 1
480 3 25 LEU H 3 25 LEU HA 2.900 . 4.000 2.819 2.800 2.836 . 0 0 "[ . 1 . 2]" 1
481 3 25 LEU H 3 25 LEU QB 3.400 . 5.000 2.263 2.136 2.374 . 0 0 "[ . 1 . 2]" 1
482 3 25 LEU H 3 26 ASP H 2.900 . 4.000 2.678 2.619 2.739 . 0 0 "[ . 1 . 2]" 1
483 3 25 LEU HA 3 29 PHE QD 3.650 . 5.500 4.340 2.664 5.273 . 0 0 "[ . 1 . 2]" 1
484 3 25 LEU MD2 3 29 PHE QD 3.650 . 5.500 4.385 2.943 5.533 0.033 14 0 "[ . 1 . 2]" 1
485 3 26 ASP H 3 26 ASP HA 2.900 . 4.000 2.810 2.765 2.831 . 0 0 "[ . 1 . 2]" 1
486 3 26 ASP H 3 26 ASP QB 2.900 . 4.000 2.300 2.229 2.378 . 0 0 "[ . 1 . 2]" 1
487 3 26 ASP H 3 27 ARG H 2.900 . 4.000 2.707 2.625 2.847 . 0 0 "[ . 1 . 2]" 1
488 3 26 ASP H 4 27 ARG QH1 3.650 . 5.500 4.648 3.388 5.475 . 0 0 "[ . 1 . 2]" 1
489 3 26 ASP H 4 27 ARG QH2 3.650 . 5.500 4.631 3.086 5.556 0.056 20 0 "[ . 1 . 2]" 1
490 3 27 ARG H 3 27 ARG HA 2.900 . 4.000 2.836 2.789 2.908 . 0 0 "[ . 1 . 2]" 1
491 3 27 ARG H 3 27 ARG QB 2.900 . 4.000 2.298 2.219 2.467 . 0 0 "[ . 1 . 2]" 1
492 3 28 LEU HA 3 28 LEU MD2 3.400 . 5.000 2.972 2.164 3.819 . 0 0 "[ . 1 . 2]" 1
493 3 28 LEU H 3 28 LEU HA 2.900 . 4.000 2.818 2.805 2.827 . 0 0 "[ . 1 . 2]" 1
494 3 28 LEU H 3 28 LEU QB 2.900 . 4.000 2.227 2.139 2.367 . 0 0 "[ . 1 . 2]" 1
495 3 28 LEU H 3 29 PHE QD 3.400 . 5.000 4.082 3.637 4.489 . 0 0 "[ . 1 . 2]" 1
496 3 28 LEU MD1 3 29 PHE QE 3.400 . 5.000 4.495 3.311 5.147 0.147 8 0 "[ . 1 . 2]" 1
497 3 28 LEU MD1 3 29 PHE QD 3.650 . 5.500 4.590 3.675 5.183 . 0 0 "[ . 1 . 2]" 1
498 3 28 LEU MD2 3 29 PHE QE 3.400 . 5.000 4.074 2.468 5.120 0.120 12 0 "[ . 1 . 2]" 1
499 3 28 LEU MD2 3 29 PHE QD 3.650 . 5.500 4.069 3.094 4.996 . 0 0 "[ . 1 . 2]" 1
500 3 29 PHE HA 3 29 PHE QD 3.400 . 5.000 2.819 2.473 3.071 . 0 0 "[ . 1 . 2]" 1
501 3 29 PHE H 3 29 PHE HA 2.900 . 4.000 2.883 2.818 2.953 . 0 0 "[ . 1 . 2]" 1
502 3 29 PHE H 3 29 PHE QB 3.400 . 5.000 2.336 2.195 2.447 . 0 0 "[ . 1 . 2]" 1
503 3 29 PHE H 3 29 PHE QD 2.900 . 4.000 2.344 1.964 2.797 . 0 0 "[ . 1 . 2]" 1
504 3 29 PHE H 3 30 PHE H 2.900 . 4.000 2.661 2.339 3.087 . 0 0 "[ . 1 . 2]" 1
505 3 29 PHE HA 3 30 PHE QD 3.150 . 4.500 4.256 3.241 4.587 0.087 20 0 "[ . 1 . 2]" 1
506 3 29 PHE QB 3 29 PHE QD 2.900 . 4.000 2.155 2.146 2.191 . 0 0 "[ . 1 . 2]" 1
507 3 29 PHE QB 3 30 PHE QD 3.400 . 5.000 2.965 2.256 4.805 . 0 0 "[ . 1 . 2]" 1
508 3 30 PHE HA 3 30 PHE QD 2.900 . 4.000 2.910 2.288 3.678 . 0 0 "[ . 1 . 2]" 1
509 3 30 PHE H 3 30 PHE HA 2.900 . 4.000 2.903 2.733 2.972 . 0 0 "[ . 1 . 2]" 1
510 3 30 PHE H 3 30 PHE QB 3.400 . 5.000 2.637 2.282 2.839 . 0 0 "[ . 1 . 2]" 1
511 3 30 PHE H 3 30 PHE QD 2.900 . 4.000 2.909 1.772 3.459 0.028 1 0 "[ . 1 . 2]" 1
512 3 30 PHE H 3 31 LYS H 3.400 . 5.000 4.133 2.953 4.653 . 0 0 "[ . 1 . 2]" 1
513 3 30 PHE HA 3 31 LYS HA 3.150 . 4.500 4.440 4.337 4.561 0.061 7 0 "[ . 1 . 2]" 1
514 3 30 PHE QB 3 30 PHE QD 2.900 . 4.000 2.166 2.148 2.223 . 0 0 "[ . 1 . 2]" 1
515 3 30 PHE QB 3 31 LYS HA 3.150 . 4.500 4.426 4.159 4.578 0.078 17 0 "[ . 1 . 2]" 1
516 3 31 LYS H 3 31 LYS QB 3.400 . 5.000 2.661 2.344 3.262 . 0 0 "[ . 1 . 2]" 1
517 4 5 SER H 4 6 ASP H 2.900 . 4.000 4.062 3.648 4.200 0.200 17 0 "[ . 1 . 2]" 1
518 4 6 ASP HA 4 7 PRO QD 2.650 . 3.500 2.108 2.073 2.136 . 0 0 "[ . 1 . 2]" 1
519 4 7 PRO HA 4 10 VAL MG1 3.400 . 5.000 3.933 2.157 4.423 . 0 0 "[ . 1 . 2]" 1
520 4 7 PRO HA 4 10 VAL MG2 3.400 . 5.000 3.118 2.091 4.672 . 0 0 "[ . 1 . 2]" 1
521 4 8 LEU HA 4 8 LEU MD1 2.900 . 4.000 2.841 2.109 3.824 . 0 0 "[ . 1 . 2]" 1
522 4 8 LEU H 4 8 LEU HA 2.900 . 4.000 2.821 2.801 2.843 . 0 0 "[ . 1 . 2]" 1
523 1 10 VAL HA 4 8 LEU MD2 3.400 . 5.000 4.065 2.736 5.060 0.060 18 0 "[ . 1 . 2]" 1
524 4 9 VAL HA 4 9 VAL MG1 3.400 . 5.000 2.385 2.324 2.459 . 0 0 "[ . 1 . 2]" 1
525 4 9 VAL HA 4 9 VAL MG2 2.900 . 4.000 2.389 2.258 3.195 . 0 0 "[ . 1 . 2]" 1
526 4 9 VAL H 4 9 VAL HA 2.900 . 4.000 2.824 2.811 2.845 . 0 0 "[ . 1 . 2]" 1
527 4 9 VAL H 4 9 VAL MG2 2.900 . 4.000 2.179 2.073 2.330 . 0 0 "[ . 1 . 2]" 1
528 4 9 VAL H 4 10 VAL H 2.900 . 4.000 2.713 2.594 2.805 . 0 0 "[ . 1 . 2]" 1
529 4 10 VAL HA 4 10 VAL MG1 3.400 . 5.000 2.435 2.296 3.194 . 0 0 "[ . 1 . 2]" 1
530 4 10 VAL HA 4 10 VAL MG2 2.900 . 4.000 2.437 2.259 3.191 . 0 0 "[ . 1 . 2]" 1
531 4 10 VAL H 4 10 VAL HA 2.900 . 4.000 2.830 2.812 2.859 . 0 0 "[ . 1 . 2]" 1
532 4 10 VAL H 4 10 VAL MG1 3.400 . 5.000 3.332 1.876 3.744 . 0 0 "[ . 1 . 2]" 1
533 4 10 VAL H 4 10 VAL MG2 2.800 . 3.800 2.245 1.761 3.754 0.039 12 0 "[ . 1 . 2]" 1
534 4 10 VAL MG2 4 11 ALA H 3.400 . 5.000 3.524 1.933 3.873 . 0 0 "[ . 1 . 2]" 1
535 4 11 ALA HA 4 14 ILE HB 2.900 . 4.000 2.783 2.341 3.995 . 0 0 "[ . 1 . 2]" 1
536 4 11 ALA HA 4 14 ILE H 2.900 . 4.000 3.443 3.227 3.702 . 0 0 "[ . 1 . 2]" 1
537 4 11 ALA HA 4 14 ILE MD 2.900 . 4.000 2.710 2.286 4.263 0.263 7 0 "[ . 1 . 2]" 1
538 4 10 VAL HB 4 11 ALA H 2.650 . 3.500 2.807 2.460 3.798 0.298 17 0 "[ . 1 . 2]" 1
539 4 10 VAL MG1 4 11 ALA H 2.900 . 4.000 3.238 1.869 3.902 . 0 0 "[ . 1 . 2]" 1
540 4 11 ALA H 4 11 ALA HA 2.900 . 4.000 2.819 2.792 2.835 . 0 0 "[ . 1 . 2]" 1
541 4 11 ALA H 4 11 ALA MB 2.900 . 4.000 2.217 2.192 2.243 . 0 0 "[ . 1 . 2]" 1
542 1 17 ILE MD 4 11 ALA MB 2.800 . 4.000 4.039 3.810 4.205 0.205 11 0 "[ . 1 . 2]" 1
543 4 11 ALA MB 4 12 ALA H 3.400 . 5.000 2.546 2.409 2.666 . 0 0 "[ . 1 . 2]" 1
544 4 12 ALA HA 4 15 ILE HB 2.900 . 4.000 2.774 2.643 3.297 . 0 0 "[ . 1 . 2]" 1
545 4 12 ALA HA 4 15 ILE MD 3.400 . 5.000 3.346 2.309 4.840 . 0 0 "[ . 1 . 2]" 1
546 1 13 ASN HA 4 12 ALA MB 3.400 . 5.000 3.067 2.682 3.431 . 0 0 "[ . 1 . 2]" 1
547 4 12 ALA H 4 12 ALA HA 2.900 . 4.000 2.812 2.774 2.861 . 0 0 "[ . 1 . 2]" 1
548 4 12 ALA H 4 12 ALA MB 2.900 . 4.000 2.220 2.192 2.236 . 0 0 "[ . 1 . 2]" 1
549 4 12 ALA MB 4 13 ASN H 2.900 . 4.000 2.488 2.333 2.666 . 0 0 "[ . 1 . 2]" 1
550 4 12 ALA MB 4 15 ILE MD 3.650 . 5.500 4.513 3.711 5.719 0.219 19 0 "[ . 1 . 2]" 1
551 4 14 ILE HA 4 14 ILE MG 3.400 . 5.000 2.412 2.257 3.186 . 0 0 "[ . 1 . 2]" 1
552 4 14 ILE HA 4 17 ILE HB 2.900 . 4.000 2.912 2.648 3.473 . 0 0 "[ . 1 . 2]" 1
553 4 14 ILE HA 4 17 ILE MD 3.400 . 5.000 2.970 2.413 4.936 . 0 0 "[ . 1 . 2]" 1
554 4 14 ILE H 4 14 ILE HA 2.900 . 4.000 2.831 2.821 2.837 . 0 0 "[ . 1 . 2]" 1
555 4 14 ILE H 4 14 ILE HB 2.900 . 4.000 2.439 2.398 2.623 . 0 0 "[ . 1 . 2]" 1
556 4 14 ILE H 4 14 ILE MD 2.900 . 4.000 3.398 2.746 4.225 0.225 3 0 "[ . 1 . 2]" 1
557 4 14 ILE H 4 14 ILE MG 3.400 . 5.000 3.662 2.163 3.753 . 0 0 "[ . 1 . 2]" 1
558 4 14 ILE H 4 15 ILE H 2.900 . 4.000 2.667 2.638 2.708 . 0 0 "[ . 1 . 2]" 1
559 4 14 ILE MG 4 15 ILE H 2.900 . 4.000 3.243 1.799 3.574 0.001 3 0 "[ . 1 . 2]" 1
560 1 20 LEU MD1 4 15 ILE HA 2.900 . 4.000 3.917 3.464 4.085 0.085 14 0 "[ . 1 . 2]" 1
561 1 20 LEU MD2 4 15 ILE HA 3.650 . 5.500 5.380 4.919 5.613 0.113 7 0 "[ . 1 . 2]" 1
562 4 15 ILE HA 4 15 ILE MG 3.400 . 5.000 2.445 2.317 3.168 . 0 0 "[ . 1 . 2]" 1
563 4 15 ILE HA 4 18 LEU QB 2.900 . 4.000 2.575 2.328 2.704 . 0 0 "[ . 1 . 2]" 1
564 4 15 ILE HA 4 18 LEU MD1 3.400 . 5.000 4.269 2.313 5.298 0.298 4 0 "[ . 1 . 2]" 1
565 4 15 ILE HA 4 18 LEU MD2 3.400 . 5.000 3.865 3.183 4.944 . 0 0 "[ . 1 . 2]" 1
566 4 15 ILE H 4 15 ILE HA 2.900 . 4.000 2.822 2.814 2.832 . 0 0 "[ . 1 . 2]" 1
567 4 15 ILE H 4 15 ILE HB 2.900 . 4.000 2.387 2.216 2.533 . 0 0 "[ . 1 . 2]" 1
568 4 15 ILE H 4 15 ILE MD 3.400 . 5.000 3.428 1.934 3.775 . 0 0 "[ . 1 . 2]" 1
569 4 15 ILE H 4 15 ILE MG 3.400 . 5.000 3.675 2.715 3.737 . 0 0 "[ . 1 . 2]" 1
570 1 20 LEU MD1 4 15 ILE HB 3.400 . 5.000 3.926 3.792 4.169 . 0 0 "[ . 1 . 2]" 1
571 1 17 ILE HA 4 15 ILE MD 3.650 . 5.500 4.139 3.782 5.107 . 0 0 "[ . 1 . 2]" 1
572 1 17 ILE QG 4 15 ILE MD 3.650 . 5.500 2.639 2.151 3.654 . 0 0 "[ . 1 . 2]" 1
573 1 17 ILE HA 4 15 ILE MG 3.400 . 5.000 3.250 2.716 3.920 . 0 0 "[ . 1 . 2]" 1
574 1 17 ILE H 4 15 ILE MG 3.650 . 5.500 4.747 3.994 5.406 . 0 0 "[ . 1 . 2]" 1
575 1 20 LEU HG 4 15 ILE MG 3.650 . 5.500 3.839 3.287 4.239 . 0 0 "[ . 1 . 2]" 1
576 1 20 LEU QB 4 15 ILE MG 2.900 . 4.000 3.661 3.549 4.089 0.089 8 0 "[ . 1 . 2]" 1
577 4 16 GLY H 4 16 GLY HA3 2.900 . 4.000 2.305 2.301 2.309 . 0 0 "[ . 1 . 2]" 1
578 4 16 GLY H 4 16 GLY HA2 2.900 . 4.000 2.818 2.778 2.841 . 0 0 "[ . 1 . 2]" 1
579 4 16 GLY H 4 17 ILE H 2.900 . 4.000 2.739 2.667 2.930 . 0 0 "[ . 1 . 2]" 1
580 4 17 ILE HA 4 17 ILE MG 3.400 . 5.000 2.379 2.290 2.521 . 0 0 "[ . 1 . 2]" 1
581 4 17 ILE HA 4 20 LEU H 2.900 . 4.000 3.463 3.417 3.532 . 0 0 "[ . 1 . 2]" 1
582 4 17 ILE HA 4 20 LEU MD1 2.900 . 4.000 2.747 2.388 3.346 . 0 0 "[ . 1 . 2]" 1
583 4 17 ILE HA 4 20 LEU MD2 3.650 . 5.500 5.082 4.912 5.211 . 0 0 "[ . 1 . 2]" 1
584 4 17 ILE H 4 17 ILE HA 2.900 . 4.000 2.832 2.825 2.854 . 0 0 "[ . 1 . 2]" 1
585 4 17 ILE H 4 17 ILE HB 2.900 . 4.000 2.424 2.291 2.599 . 0 0 "[ . 1 . 2]" 1
586 4 17 ILE H 4 17 ILE MG 3.400 . 5.000 3.735 3.701 3.768 . 0 0 "[ . 1 . 2]" 1
587 4 17 ILE H 4 18 LEU H 2.900 . 4.000 2.653 2.630 2.672 . 0 0 "[ . 1 . 2]" 1
588 4 17 ILE MG 4 18 LEU H 2.900 . 4.000 3.317 3.089 3.566 . 0 0 "[ . 1 . 2]" 1
589 4 18 LEU HA 4 18 LEU MD1 3.400 . 5.000 2.677 2.072 3.821 . 0 0 "[ . 1 . 2]" 1
590 4 18 LEU HA 4 21 ILE H 2.900 . 4.000 3.372 3.301 3.538 . 0 0 "[ . 1 . 2]" 1
591 4 18 LEU HA 4 21 ILE MD 2.900 . 4.000 2.367 2.212 4.046 0.046 17 0 "[ . 1 . 2]" 1
592 4 18 LEU H 4 18 LEU HA 2.900 . 4.000 2.812 2.792 2.822 . 0 0 "[ . 1 . 2]" 1
593 4 18 LEU H 4 18 LEU QB 2.900 . 4.000 2.287 2.243 2.384 . 0 0 "[ . 1 . 2]" 1
594 4 18 LEU H 4 18 LEU MD1 3.400 . 5.000 3.858 3.387 4.297 . 0 0 "[ . 1 . 2]" 1
595 4 18 LEU H 4 18 LEU MD2 3.400 . 5.000 4.066 3.505 4.299 . 0 0 "[ . 1 . 2]" 1
596 4 18 LEU H 4 19 HIS H 2.900 . 4.000 2.674 2.635 2.752 . 0 0 "[ . 1 . 2]" 1
597 1 20 LEU MD1 4 18 LEU QB 3.650 . 5.500 4.320 4.196 4.415 . 0 0 "[ . 1 . 2]" 1
598 1 20 LEU MD2 4 18 LEU QB 3.400 . 5.000 4.769 4.567 5.036 0.036 8 0 "[ . 1 . 2]" 1
599 4 18 LEU QB 4 19 HIS H 3.400 . 5.000 2.603 2.443 2.662 . 0 0 "[ . 1 . 2]" 1
600 1 20 LEU MD1 4 19 HIS HA 2.900 . 4.000 4.106 4.021 4.204 0.204 9 0 "[ . 1 . 2]" 1
601 1 20 LEU MD2 4 19 HIS HA 2.650 . 3.500 2.975 2.831 3.340 . 0 0 "[ . 1 . 2]" 1
602 1 20 LEU MD1 4 19 HIS H 3.400 . 5.000 3.992 3.836 4.344 . 0 0 "[ . 1 . 2]" 1
603 1 20 LEU MD2 4 19 HIS H 3.400 . 5.000 4.223 4.123 4.712 . 0 0 "[ . 1 . 2]" 1
604 4 19 HIS H 4 19 HIS HA 2.900 . 4.000 2.806 2.799 2.819 . 0 0 "[ . 1 . 2]" 1
605 4 19 HIS H 4 19 HIS QB 2.900 . 4.000 2.262 2.251 2.275 . 0 0 "[ . 1 . 2]" 1
606 4 19 HIS H 4 20 LEU H 2.900 . 4.000 2.708 2.675 2.725 . 0 0 "[ . 1 . 2]" 1
607 1 20 LEU MD1 4 19 HIS QB 3.400 . 5.000 2.455 2.260 2.817 . 0 0 "[ . 1 . 2]" 1
608 1 20 LEU MD2 4 19 HIS QB 3.400 . 5.000 2.335 2.253 2.852 . 0 0 "[ . 1 . 2]" 1
609 4 19 HIS HD2 4 20 LEU MD1 3.400 . 5.000 5.152 5.088 5.263 0.263 8 0 "[ . 1 . 2]" 1
610 4 19 HIS HD2 4 20 LEU MD2 2.900 . 4.000 4.024 3.725 4.275 0.275 7 0 "[ . 1 . 2]" 1
611 1 23 TRP QB 4 19 HIS HE1 3.400 . 5.000 2.744 2.589 2.922 . 0 0 "[ . 1 . 2]" 1
612 1 23 TRP HE3 4 19 HIS HE1 3.650 . 5.500 2.725 2.670 2.817 . 0 0 "[ . 1 . 2]" 1
613 4 20 LEU HA 4 20 LEU MD1 3.650 . 5.500 3.736 3.698 3.774 . 0 0 "[ . 1 . 2]" 1
614 4 20 LEU HA 4 20 LEU MD2 3.400 . 5.000 2.266 2.187 2.291 . 0 0 "[ . 1 . 2]" 1
615 4 20 LEU HA 4 23 TRP QB 2.900 . 4.000 2.451 2.363 2.541 . 0 0 "[ . 1 . 2]" 1
616 4 20 LEU H 4 20 LEU HA 2.900 . 4.000 2.812 2.798 2.819 . 0 0 "[ . 1 . 2]" 1
617 4 20 LEU H 4 20 LEU QB 3.400 . 5.000 2.145 2.053 2.199 . 0 0 "[ . 1 . 2]" 1
618 4 20 LEU H 4 20 LEU MD1 3.400 . 5.000 3.487 3.351 3.764 . 0 0 "[ . 1 . 2]" 1
619 4 20 LEU H 4 20 LEU MD2 3.400 . 5.000 4.106 3.982 4.217 . 0 0 "[ . 1 . 2]" 1
620 4 20 LEU H 4 21 ILE H 2.900 . 4.000 2.732 2.708 2.753 . 0 0 "[ . 1 . 2]" 1
621 4 21 ILE HA 4 21 ILE MD 3.400 . 5.000 3.727 2.087 3.834 . 0 0 "[ . 1 . 2]" 1
622 4 21 ILE HA 4 21 ILE MG 3.400 . 5.000 2.374 2.287 2.398 . 0 0 "[ . 1 . 2]" 1
623 4 21 ILE HA 4 24 ILE MG 2.900 . 4.000 2.958 2.159 4.092 0.092 3 0 "[ . 1 . 2]" 1
624 4 21 ILE H 4 21 ILE HA 2.900 . 4.000 2.816 2.802 2.822 . 0 0 "[ . 1 . 2]" 1
625 4 21 ILE H 4 21 ILE HB 2.900 . 4.000 2.461 2.406 2.625 . 0 0 "[ . 1 . 2]" 1
626 4 21 ILE H 4 21 ILE MD 3.400 . 5.000 3.407 2.739 3.470 . 0 0 "[ . 1 . 2]" 1
627 4 21 ILE H 4 21 ILE MG 3.400 . 5.000 3.743 3.730 3.750 . 0 0 "[ . 1 . 2]" 1
628 4 21 ILE H 4 22 LEU H 2.900 . 4.000 2.752 2.710 2.830 . 0 0 "[ . 1 . 2]" 1
629 4 21 ILE MG 4 22 LEU H 3.400 . 5.000 3.288 3.202 3.505 . 0 0 "[ . 1 . 2]" 1
630 4 22 LEU HA 4 22 LEU MD2 2.900 . 4.000 2.489 2.114 3.806 . 0 0 "[ . 1 . 2]" 1
631 4 22 LEU H 4 22 LEU HA 2.900 . 4.000 2.861 2.841 2.872 . 0 0 "[ . 1 . 2]" 1
632 4 22 LEU H 4 22 LEU QB 3.400 . 5.000 2.360 2.171 2.527 . 0 0 "[ . 1 . 2]" 1
633 4 22 LEU H 4 22 LEU MD2 3.400 . 5.000 3.145 1.850 4.293 . 0 0 "[ . 1 . 2]" 1
634 4 22 LEU H 4 23 TRP H 2.900 . 4.000 2.612 2.546 2.690 . 0 0 "[ . 1 . 2]" 1
635 4 23 TRP HA 4 26 ASP H 2.900 . 4.000 3.499 3.270 3.605 . 0 0 "[ . 1 . 2]" 1
636 4 23 TRP H 4 23 TRP HA 2.900 . 4.000 2.834 2.815 2.847 . 0 0 "[ . 1 . 2]" 1
637 4 23 TRP H 4 23 TRP QB 2.900 . 4.000 2.240 2.213 2.267 . 0 0 "[ . 1 . 2]" 1
638 4 23 TRP H 4 24 ILE H 2.900 . 4.000 2.693 2.618 2.784 . 0 0 "[ . 1 . 2]" 1
639 4 24 ILE HA 4 24 ILE HB 2.900 . 4.000 2.745 2.541 3.027 . 0 0 "[ . 1 . 2]" 1
640 4 24 ILE HA 4 24 ILE MG 3.400 . 5.000 2.915 2.439 3.207 . 0 0 "[ . 1 . 2]" 1
641 4 24 ILE H 4 24 ILE HA 2.900 . 4.000 2.829 2.813 2.840 . 0 0 "[ . 1 . 2]" 1
642 4 24 ILE H 4 24 ILE HB 2.900 . 4.000 2.366 2.294 2.400 . 0 0 "[ . 1 . 2]" 1
643 4 24 ILE H 4 24 ILE MG 3.400 . 5.000 2.898 2.296 3.745 . 0 0 "[ . 1 . 2]" 1
644 4 24 ILE H 4 25 LEU H 2.900 . 4.000 2.651 2.600 2.742 . 0 0 "[ . 1 . 2]" 1
645 4 23 TRP HE3 4 24 ILE MD 3.150 . 4.500 3.841 2.887 4.293 . 0 0 "[ . 1 . 2]" 1
646 4 23 TRP HZ3 4 24 ILE MD 3.400 . 5.000 3.605 2.511 4.425 . 0 0 "[ . 1 . 2]" 1
647 4 24 ILE MG 4 25 LEU HA 2.900 . 4.000 3.114 3.004 3.269 . 0 0 "[ . 1 . 2]" 1
648 4 24 ILE MG 4 25 LEU H 2.900 . 4.000 2.333 1.749 3.232 0.051 8 0 "[ . 1 . 2]" 1
649 4 24 ILE MG 4 28 LEU MD1 3.150 . 4.500 4.050 2.716 4.615 0.115 3 0 "[ . 1 . 2]" 1
650 4 25 LEU HA 4 25 LEU MD2 2.900 . 4.000 3.040 2.143 3.802 . 0 0 "[ . 1 . 2]" 1
651 4 25 LEU HA 4 26 ASP H 3.400 . 5.000 3.543 3.518 3.563 . 0 0 "[ . 1 . 2]" 1
652 4 25 LEU H 4 25 LEU HA 2.900 . 4.000 2.819 2.802 2.835 . 0 0 "[ . 1 . 2]" 1
653 4 25 LEU H 4 25 LEU QB 3.400 . 5.000 2.263 2.136 2.373 . 0 0 "[ . 1 . 2]" 1
654 4 25 LEU H 4 26 ASP H 2.900 . 4.000 2.679 2.618 2.737 . 0 0 "[ . 1 . 2]" 1
655 4 25 LEU HA 4 29 PHE QD 3.650 . 5.500 4.339 2.660 5.274 . 0 0 "[ . 1 . 2]" 1
656 4 25 LEU MD2 4 29 PHE QD 3.650 . 5.500 4.385 2.938 5.533 0.033 14 0 "[ . 1 . 2]" 1
657 1 27 ARG QH1 4 26 ASP H 3.650 . 5.500 4.648 3.423 5.506 0.006 12 0 "[ . 1 . 2]" 1
658 1 27 ARG QH2 4 26 ASP H 3.650 . 5.500 4.617 3.071 5.529 0.029 20 0 "[ . 1 . 2]" 1
659 4 26 ASP H 4 26 ASP HA 2.900 . 4.000 2.810 2.765 2.831 . 0 0 "[ . 1 . 2]" 1
660 4 26 ASP H 4 26 ASP QB 2.900 . 4.000 2.300 2.227 2.376 . 0 0 "[ . 1 . 2]" 1
661 4 26 ASP H 4 27 ARG H 2.900 . 4.000 2.706 2.624 2.846 . 0 0 "[ . 1 . 2]" 1
662 4 27 ARG H 4 27 ARG HA 2.900 . 4.000 2.837 2.789 2.908 . 0 0 "[ . 1 . 2]" 1
663 4 27 ARG H 4 27 ARG QB 2.900 . 4.000 2.298 2.220 2.467 . 0 0 "[ . 1 . 2]" 1
664 4 28 LEU HA 4 28 LEU MD2 3.400 . 5.000 2.972 2.165 3.819 . 0 0 "[ . 1 . 2]" 1
665 4 28 LEU H 4 28 LEU HA 2.900 . 4.000 2.818 2.806 2.825 . 0 0 "[ . 1 . 2]" 1
666 4 28 LEU H 4 28 LEU QB 2.900 . 4.000 2.227 2.139 2.367 . 0 0 "[ . 1 . 2]" 1
667 4 28 LEU H 4 29 PHE QD 3.400 . 5.000 4.082 3.637 4.487 . 0 0 "[ . 1 . 2]" 1
668 4 28 LEU MD1 4 29 PHE QE 3.400 . 5.000 4.495 3.311 5.147 0.147 8 0 "[ . 1 . 2]" 1
669 4 28 LEU MD1 4 29 PHE QD 3.650 . 5.500 4.590 3.673 5.183 . 0 0 "[ . 1 . 2]" 1
670 4 28 LEU MD2 4 29 PHE QE 3.400 . 5.000 4.073 2.468 5.119 0.119 12 0 "[ . 1 . 2]" 1
671 4 28 LEU MD2 4 29 PHE QD 3.650 . 5.500 4.069 3.095 4.996 . 0 0 "[ . 1 . 2]" 1
672 4 29 PHE HA 4 29 PHE QD 3.400 . 5.000 2.819 2.472 3.071 . 0 0 "[ . 1 . 2]" 1
673 4 29 PHE H 4 29 PHE HA 2.900 . 4.000 2.883 2.819 2.953 . 0 0 "[ . 1 . 2]" 1
674 4 29 PHE H 4 29 PHE QB 3.400 . 5.000 2.336 2.194 2.447 . 0 0 "[ . 1 . 2]" 1
675 4 29 PHE H 4 29 PHE QD 2.900 . 4.000 2.343 1.963 2.797 . 0 0 "[ . 1 . 2]" 1
676 4 29 PHE H 4 30 PHE H 2.900 . 4.000 2.661 2.338 3.086 . 0 0 "[ . 1 . 2]" 1
677 4 29 PHE HA 4 30 PHE QD 3.150 . 4.500 4.255 3.241 4.586 0.086 20 0 "[ . 1 . 2]" 1
678 4 29 PHE QB 4 29 PHE QD 2.900 . 4.000 2.155 2.146 2.190 . 0 0 "[ . 1 . 2]" 1
679 4 29 PHE QB 4 30 PHE QD 3.400 . 5.000 2.964 2.255 4.807 . 0 0 "[ . 1 . 2]" 1
680 4 30 PHE HA 4 30 PHE QD 2.900 . 4.000 2.911 2.289 3.678 . 0 0 "[ . 1 . 2]" 1
681 4 30 PHE H 4 30 PHE HA 2.900 . 4.000 2.903 2.732 2.970 . 0 0 "[ . 1 . 2]" 1
682 4 30 PHE H 4 30 PHE QB 3.400 . 5.000 2.637 2.283 2.839 . 0 0 "[ . 1 . 2]" 1
683 4 30 PHE H 4 30 PHE QD 2.900 . 4.000 2.908 1.773 3.459 0.027 1 0 "[ . 1 . 2]" 1
684 4 30 PHE H 4 31 LYS H 3.400 . 5.000 4.135 2.957 4.653 . 0 0 "[ . 1 . 2]" 1
685 4 30 PHE HA 4 31 LYS HA 3.150 . 4.500 4.440 4.337 4.559 0.059 7 0 "[ . 1 . 2]" 1
686 4 30 PHE QB 4 30 PHE QD 2.900 . 4.000 2.166 2.148 2.221 . 0 0 "[ . 1 . 2]" 1
687 4 30 PHE QB 4 31 LYS HA 3.150 . 4.500 4.426 4.159 4.581 0.081 17 0 "[ . 1 . 2]" 1
688 4 31 LYS H 4 31 LYS QB 3.400 . 5.000 2.662 2.343 3.262 . 0 0 "[ . 1 . 2]" 1
689 1 19 HIS HA 1 19 HIS HD2 2.650 . 3.500 3.674 3.644 3.720 0.220 4 0 "[ . 1 . 2]" 1
690 2 19 HIS HA 2 19 HIS HD2 2.650 . 3.500 3.674 3.644 3.720 0.220 4 0 "[ . 1 . 2]" 1
691 3 19 HIS HA 3 19 HIS HD2 2.650 . 3.500 3.674 3.642 3.714 0.214 4 0 "[ . 1 . 2]" 1
692 4 19 HIS HA 4 19 HIS HD2 2.650 . 3.500 3.674 3.644 3.716 0.216 3 0 "[ . 1 . 2]" 1
693 1 19 HIS HE1 2 19 HIS HD2 2.900 . 4.000 3.128 2.991 3.364 . 0 0 "[ . 1 . 2]" 1
694 2 19 HIS HE1 3 19 HIS HD2 2.900 . 4.000 3.128 2.980 3.383 . 0 0 "[ . 1 . 2]" 1
695 3 19 HIS HE1 4 19 HIS HD2 2.900 . 4.000 3.132 2.998 3.364 . 0 0 "[ . 1 . 2]" 1
696 1 19 HIS HD2 4 19 HIS HE1 2.900 . 4.000 3.124 2.971 3.371 . 0 0 "[ . 1 . 2]" 1
697 1 19 HIS HD2 1 23 TRP QB 2.650 . 3.500 2.167 2.095 2.433 . 0 0 "[ . 1 . 2]" 1
698 2 19 HIS HD2 2 23 TRP QB 2.650 . 3.500 2.167 2.091 2.425 . 0 0 "[ . 1 . 2]" 1
699 3 19 HIS HD2 3 23 TRP QB 2.650 . 3.500 2.167 2.091 2.435 . 0 0 "[ . 1 . 2]" 1
700 4 19 HIS HD2 4 23 TRP QB 2.650 . 3.500 2.167 2.094 2.432 . 0 0 "[ . 1 . 2]" 1
701 1 19 HIS HD2 2 23 TRP HH2 3.400 . 5.000 4.807 4.679 4.925 . 0 0 "[ . 1 . 2]" 1
702 2 19 HIS HD2 3 23 TRP HH2 3.400 . 5.000 4.812 4.670 4.940 . 0 0 "[ . 1 . 2]" 1
703 3 19 HIS HD2 4 23 TRP HH2 3.400 . 5.000 4.810 4.701 4.972 . 0 0 "[ . 1 . 2]" 1
704 1 23 TRP HH2 4 19 HIS HD2 3.400 . 5.000 4.817 4.684 4.929 . 0 0 "[ . 1 . 2]" 1
705 1 19 HIS HD2 2 23 TRP HZ3 3.400 . 5.000 5.264 5.173 5.347 0.347 8 0 "[ . 1 . 2]" 1
706 2 19 HIS HD2 3 23 TRP HZ3 3.400 . 5.000 5.266 5.155 5.344 0.344 8 0 "[ . 1 . 2]" 1
707 3 19 HIS HD2 4 23 TRP HZ3 3.400 . 5.000 5.268 5.195 5.336 0.336 8 0 "[ . 1 . 2]" 1
708 1 23 TRP HZ3 4 19 HIS HD2 3.400 . 5.000 5.271 5.181 5.342 0.342 8 0 "[ . 1 . 2]" 1
709 1 23 TRP HA 1 23 TRP HD1 2.650 . 3.500 3.004 2.892 3.060 . 0 0 "[ . 1 . 2]" 1
710 2 23 TRP HA 2 23 TRP HD1 2.650 . 3.500 3.005 2.889 3.057 . 0 0 "[ . 1 . 2]" 1
711 3 23 TRP HA 3 23 TRP HD1 2.650 . 3.500 3.004 2.893 3.064 . 0 0 "[ . 1 . 2]" 1
712 4 23 TRP HA 4 23 TRP HD1 2.650 . 3.500 3.004 2.892 3.062 . 0 0 "[ . 1 . 2]" 1
713 1 23 TRP QB 1 23 TRP HD1 2.650 . 3.500 2.662 2.651 2.685 . 0 0 "[ . 1 . 2]" 1
714 2 23 TRP QB 2 23 TRP HD1 2.650 . 3.500 2.662 2.653 2.684 . 0 0 "[ . 1 . 2]" 1
715 3 23 TRP QB 3 23 TRP HD1 2.650 . 3.500 2.662 2.652 2.683 . 0 0 "[ . 1 . 2]" 1
716 4 23 TRP QB 4 23 TRP HD1 2.650 . 3.500 2.662 2.651 2.683 . 0 0 "[ . 1 . 2]" 1
717 1 23 TRP H 1 23 TRP HD1 3.400 . 5.000 5.035 4.954 5.081 0.081 2 0 "[ . 1 . 2]" 1
718 2 23 TRP H 2 23 TRP HD1 3.400 . 5.000 5.035 4.948 5.081 0.081 2 0 "[ . 1 . 2]" 1
719 3 23 TRP H 3 23 TRP HD1 3.400 . 5.000 5.035 4.957 5.082 0.082 2 0 "[ . 1 . 2]" 1
720 4 23 TRP H 4 23 TRP HD1 3.400 . 5.000 5.035 4.958 5.079 0.079 2 0 "[ . 1 . 2]" 1
721 1 23 TRP HD1 2 23 TRP HZ2 2.650 . 3.500 2.296 2.269 2.321 . 0 0 "[ . 1 . 2]" 1
722 2 23 TRP HD1 3 23 TRP HZ2 2.650 . 3.500 2.291 2.255 2.317 . 0 0 "[ . 1 . 2]" 1
723 3 23 TRP HD1 4 23 TRP HZ2 2.650 . 3.500 2.298 2.261 2.331 . 0 0 "[ . 1 . 2]" 1
724 1 23 TRP HZ2 4 23 TRP HD1 2.650 . 3.500 2.293 2.262 2.310 . 0 0 "[ . 1 . 2]" 1
725 1 23 TRP H 2 23 TRP HZ2 3.400 . 5.000 4.407 4.266 4.558 . 0 0 "[ . 1 . 2]" 1
726 2 23 TRP H 3 23 TRP HZ2 3.400 . 5.000 4.420 4.327 4.524 . 0 0 "[ . 1 . 2]" 1
727 3 23 TRP H 4 23 TRP HZ2 3.400 . 5.000 4.418 4.277 4.573 . 0 0 "[ . 1 . 2]" 1
728 1 23 TRP HZ2 4 23 TRP H 3.400 . 5.000 4.418 4.308 4.562 . 0 0 "[ . 1 . 2]" 1
729 1 23 TRP H 2 23 TRP HH2 3.400 . 5.000 3.268 3.124 3.381 . 0 0 "[ . 1 . 2]" 1
730 2 23 TRP H 3 23 TRP HH2 3.400 . 5.000 3.281 3.148 3.393 . 0 0 "[ . 1 . 2]" 1
731 3 23 TRP H 4 23 TRP HH2 3.400 . 5.000 3.282 3.159 3.414 . 0 0 "[ . 1 . 2]" 1
732 1 23 TRP HH2 4 23 TRP H 3.400 . 5.000 3.283 3.153 3.401 . 0 0 "[ . 1 . 2]" 1
733 1 23 TRP HA 2 23 TRP HZ2 2.900 . 4.000 2.369 2.316 2.519 . 0 0 "[ . 1 . 2]" 1
734 2 23 TRP HA 3 23 TRP HZ2 2.900 . 4.000 2.378 2.308 2.508 . 0 0 "[ . 1 . 2]" 1
735 3 23 TRP HA 4 23 TRP HZ2 2.900 . 4.000 2.381 2.309 2.498 . 0 0 "[ . 1 . 2]" 1
736 1 23 TRP HZ2 4 23 TRP HA 2.900 . 4.000 2.375 2.298 2.518 . 0 0 "[ . 1 . 2]" 1
737 1 23 TRP HA 2 23 TRP HH2 2.900 . 4.000 2.897 2.778 3.029 . 0 0 "[ . 1 . 2]" 1
738 2 23 TRP HA 3 23 TRP HH2 2.900 . 4.000 2.896 2.746 3.043 . 0 0 "[ . 1 . 2]" 1
739 3 23 TRP HA 4 23 TRP HH2 2.900 . 4.000 2.905 2.773 3.058 . 0 0 "[ . 1 . 2]" 1
740 1 23 TRP HH2 4 23 TRP HA 2.900 . 4.000 2.897 2.765 3.042 . 0 0 "[ . 1 . 2]" 1
741 1 19 HIS HE1 2 23 TRP CD2 2.800 . 3.800 2.531 2.483 2.587 . 0 0 "[ . 1 . 2]" 1
742 1 19 HIS HE1 2 23 TRP CE3 2.800 . 3.800 2.595 2.572 2.613 . 0 0 "[ . 1 . 2]" 1
743 1 19 HIS HE1 2 23 TRP CZ3 2.800 . 3.800 3.395 3.314 3.464 . 0 0 "[ . 1 . 2]" 1
744 1 19 HIS HE1 2 23 TRP CH2 2.800 . 3.800 4.007 3.910 4.086 0.286 4 0 "[ . 1 . 2]" 1
745 1 19 HIS HE1 2 23 TRP CZ2 2.800 . 3.800 3.973 3.915 4.026 0.226 3 0 "[ . 1 . 2]" 1
746 1 19 HIS HE1 2 23 TRP CE2 2.800 . 3.800 3.307 3.275 3.339 . 0 0 "[ . 1 . 2]" 1
747 2 19 HIS HE1 3 23 TRP CD2 2.800 . 3.800 2.533 2.490 2.585 . 0 0 "[ . 1 . 2]" 1
748 2 19 HIS HE1 3 23 TRP CE3 2.800 . 3.800 2.592 2.566 2.628 . 0 0 "[ . 1 . 2]" 1
749 2 19 HIS HE1 3 23 TRP CZ3 2.800 . 3.800 3.392 3.308 3.451 . 0 0 "[ . 1 . 2]" 1
750 2 19 HIS HE1 3 23 TRP CH2 2.800 . 3.800 4.006 3.910 4.070 0.270 5 0 "[ . 1 . 2]" 1
751 2 19 HIS HE1 3 23 TRP CZ2 2.800 . 3.800 3.975 3.915 4.027 0.227 11 0 "[ . 1 . 2]" 1
752 2 19 HIS HE1 3 23 TRP CE2 2.800 . 3.800 3.311 3.269 3.348 . 0 0 "[ . 1 . 2]" 1
753 3 19 HIS HE1 4 23 TRP CD2 2.800 . 3.800 2.532 2.487 2.586 . 0 0 "[ . 1 . 2]" 1
754 3 19 HIS HE1 4 23 TRP CE3 2.800 . 3.800 2.592 2.570 2.611 . 0 0 "[ . 1 . 2]" 1
755 3 19 HIS HE1 4 23 TRP CZ3 2.800 . 3.800 3.391 3.305 3.445 . 0 0 "[ . 1 . 2]" 1
756 3 19 HIS HE1 4 23 TRP CH2 2.800 . 3.800 4.004 3.902 4.077 0.277 4 0 "[ . 1 . 2]" 1
757 3 19 HIS HE1 4 23 TRP CZ2 2.800 . 3.800 3.972 3.909 4.024 0.224 3 0 "[ . 1 . 2]" 1
758 3 19 HIS HE1 4 23 TRP CE2 2.800 . 3.800 3.308 3.278 3.344 . 0 0 "[ . 1 . 2]" 1
759 1 23 TRP CD2 4 19 HIS HE1 2.800 . 3.800 2.530 2.483 2.596 . 0 0 "[ . 1 . 2]" 1
760 1 23 TRP CE3 4 19 HIS HE1 2.800 . 3.800 2.593 2.572 2.636 . 0 0 "[ . 1 . 2]" 1
761 1 23 TRP CZ3 4 19 HIS HE1 2.800 . 3.800 3.395 3.307 3.458 . 0 0 "[ . 1 . 2]" 1
762 1 23 TRP CH2 4 19 HIS HE1 2.800 . 3.800 4.008 3.916 4.081 0.281 4 0 "[ . 1 . 2]" 1
763 1 23 TRP CZ2 4 19 HIS HE1 2.800 . 3.800 3.976 3.923 4.019 0.219 4 0 "[ . 1 . 2]" 1
764 1 23 TRP CE2 4 19 HIS HE1 2.800 . 3.800 3.309 3.253 3.338 . 0 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 136
_Distance_constraint_stats_list.Viol_count 560
_Distance_constraint_stats_list.Viol_total 540.327
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0260
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0482
_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 7 PRO 0.067 0.067 14 0 "[ . 1 . 2]"
1 8 LEU 0.071 0.030 4 0 "[ . 1 . 2]"
1 9 VAL 0.405 0.139 11 0 "[ . 1 . 2]"
1 10 VAL 0.288 0.109 11 0 "[ . 1 . 2]"
1 11 ALA 0.134 0.067 14 0 "[ . 1 . 2]"
1 12 ALA 0.071 0.030 4 0 "[ . 1 . 2]"
1 13 ASN 0.646 0.139 11 0 "[ . 1 . 2]"
1 14 ILE 0.449 0.109 11 0 "[ . 1 . 2]"
1 15 ILE 0.130 0.062 8 0 "[ . 1 . 2]"
1 16 GLY 1.180 0.124 9 0 "[ . 1 . 2]"
1 17 ILE 2.041 0.124 9 0 "[ . 1 . 2]"
1 18 LEU 0.744 0.095 11 0 "[ . 1 . 2]"
1 19 HIS 0.091 0.062 8 0 "[ . 1 . 2]"
1 20 LEU 2.194 0.124 9 0 "[ . 1 . 2]"
1 21 ILE 2.071 0.126 19 0 "[ . 1 . 2]"
1 22 LEU 0.691 0.095 11 0 "[ . 1 . 2]"
1 23 TRP 0.459 0.095 8 0 "[ . 1 . 2]"
1 24 ILE 1.014 0.108 9 0 "[ . 1 . 2]"
1 25 LEU 0.270 0.126 19 0 "[ . 1 . 2]"
1 26 ASP 0.107 0.050 18 0 "[ . 1 . 2]"
1 27 ARG 0.431 0.095 8 0 "[ . 1 . 2]"
2 7 PRO 0.069 0.069 14 0 "[ . 1 . 2]"
2 8 LEU 0.068 0.031 4 0 "[ . 1 . 2]"
2 9 VAL 0.408 0.138 11 0 "[ . 1 . 2]"
2 10 VAL 0.284 0.107 11 0 "[ . 1 . 2]"
2 11 ALA 0.135 0.069 14 0 "[ . 1 . 2]"
2 12 ALA 0.068 0.031 4 0 "[ . 1 . 2]"
2 13 ASN 0.656 0.138 11 0 "[ . 1 . 2]"
2 14 ILE 0.447 0.107 11 0 "[ . 1 . 2]"
2 15 ILE 0.127 0.061 8 0 "[ . 1 . 2]"
2 16 GLY 1.159 0.115 17 0 "[ . 1 . 2]"
2 17 ILE 2.052 0.126 9 0 "[ . 1 . 2]"
2 18 LEU 0.749 0.095 11 0 "[ . 1 . 2]"
2 19 HIS 0.096 0.061 8 0 "[ . 1 . 2]"
2 20 LEU 2.159 0.115 17 0 "[ . 1 . 2]"
2 21 ILE 2.070 0.127 19 0 "[ . 1 . 2]"
2 22 LEU 0.694 0.095 11 0 "[ . 1 . 2]"
2 23 TRP 0.462 0.094 8 0 "[ . 1 . 2]"
2 24 ILE 1.000 0.102 9 0 "[ . 1 . 2]"
2 25 LEU 0.266 0.127 19 0 "[ . 1 . 2]"
2 26 ASP 0.108 0.050 18 0 "[ . 1 . 2]"
2 27 ARG 0.427 0.094 8 0 "[ . 1 . 2]"
3 7 PRO 0.070 0.070 14 0 "[ . 1 . 2]"
3 8 LEU 0.069 0.031 4 0 "[ . 1 . 2]"
3 9 VAL 0.415 0.138 11 0 "[ . 1 . 2]"
3 10 VAL 0.285 0.109 11 0 "[ . 1 . 2]"
3 11 ALA 0.136 0.070 14 0 "[ . 1 . 2]"
3 12 ALA 0.069 0.031 4 0 "[ . 1 . 2]"
3 13 ASN 0.650 0.138 11 0 "[ . 1 . 2]"
3 14 ILE 0.443 0.109 11 0 "[ . 1 . 2]"
3 15 ILE 0.129 0.063 8 0 "[ . 1 . 2]"
3 16 GLY 1.150 0.115 9 0 "[ . 1 . 2]"
3 17 ILE 2.037 0.126 9 0 "[ . 1 . 2]"
3 18 LEU 0.751 0.094 11 0 "[ . 1 . 2]"
3 19 HIS 0.096 0.063 8 0 "[ . 1 . 2]"
3 20 LEU 2.149 0.115 9 0 "[ . 1 . 2]"
3 21 ILE 2.077 0.126 9 0 "[ . 1 . 2]"
3 22 LEU 0.699 0.094 11 0 "[ . 1 . 2]"
3 23 TRP 0.461 0.092 8 0 "[ . 1 . 2]"
3 24 ILE 1.000 0.104 9 0 "[ . 1 . 2]"
3 25 LEU 0.275 0.125 19 0 "[ . 1 . 2]"
3 26 ASP 0.106 0.050 18 0 "[ . 1 . 2]"
3 27 ARG 0.427 0.092 8 0 "[ . 1 . 2]"
4 7 PRO 0.068 0.068 14 0 "[ . 1 . 2]"
4 8 LEU 0.067 0.028 4 0 "[ . 1 . 2]"
4 9 VAL 0.403 0.139 11 0 "[ . 1 . 2]"
4 10 VAL 0.291 0.110 11 0 "[ . 1 . 2]"
4 11 ALA 0.137 0.068 14 0 "[ . 1 . 2]"
4 12 ALA 0.067 0.028 4 0 "[ . 1 . 2]"
4 13 ASN 0.651 0.139 11 0 "[ . 1 . 2]"
4 14 ILE 0.452 0.110 11 0 "[ . 1 . 2]"
4 15 ILE 0.129 0.060 8 0 "[ . 1 . 2]"
4 16 GLY 1.159 0.116 9 0 "[ . 1 . 2]"
4 17 ILE 2.055 0.125 9 0 "[ . 1 . 2]"
4 18 LEU 0.738 0.094 11 0 "[ . 1 . 2]"
4 19 HIS 0.092 0.060 8 0 "[ . 1 . 2]"
4 20 LEU 2.164 0.116 9 0 "[ . 1 . 2]"
4 21 ILE 2.071 0.126 19 0 "[ . 1 . 2]"
4 22 LEU 0.687 0.094 11 0 "[ . 1 . 2]"
4 23 TRP 0.453 0.093 8 0 "[ . 1 . 2]"
4 24 ILE 1.005 0.105 9 0 "[ . 1 . 2]"
4 25 LEU 0.264 0.126 19 0 "[ . 1 . 2]"
4 26 ASP 0.110 0.052 18 0 "[ . 1 . 2]"
4 27 ARG 0.421 0.093 8 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 7 PRO O 1 11 ALA H 2.000 . 2.300 1.898 1.719 2.172 . 0 0 "[ . 1 . 2]" 2
2 1 7 PRO O 1 11 ALA N 3.000 2.700 3.300 2.832 2.633 3.110 0.067 14 0 "[ . 1 . 2]" 2
3 2 7 PRO O 2 11 ALA H 2.000 . 2.300 1.898 1.716 2.173 . 0 0 "[ . 1 . 2]" 2
4 2 7 PRO O 2 11 ALA N 3.000 2.700 3.300 2.832 2.631 3.112 0.069 14 0 "[ . 1 . 2]" 2
5 3 7 PRO O 3 11 ALA H 2.000 . 2.300 1.898 1.714 2.172 . 0 0 "[ . 1 . 2]" 2
6 3 7 PRO O 3 11 ALA N 3.000 2.700 3.300 2.832 2.630 3.110 0.070 14 0 "[ . 1 . 2]" 2
7 4 7 PRO O 4 11 ALA H 2.000 . 2.300 1.897 1.717 2.171 . 0 0 "[ . 1 . 2]" 2
8 4 7 PRO O 4 11 ALA N 3.000 2.700 3.300 2.831 2.632 3.109 0.068 14 0 "[ . 1 . 2]" 2
9 1 8 LEU O 1 12 ALA H 2.000 . 2.300 1.950 1.787 2.330 0.030 4 0 "[ . 1 . 2]" 2
10 1 8 LEU O 1 12 ALA N 3.000 2.700 3.300 2.851 2.677 3.240 0.023 12 0 "[ . 1 . 2]" 2
11 2 8 LEU O 2 12 ALA H 2.000 . 2.300 1.951 1.788 2.331 0.031 4 0 "[ . 1 . 2]" 2
12 2 8 LEU O 2 12 ALA N 3.000 2.700 3.300 2.851 2.679 3.242 0.021 12 0 "[ . 1 . 2]" 2
13 3 8 LEU O 3 12 ALA H 2.000 . 2.300 1.951 1.789 2.331 0.031 4 0 "[ . 1 . 2]" 2
14 3 8 LEU O 3 12 ALA N 3.000 2.700 3.300 2.852 2.678 3.242 0.022 12 0 "[ . 1 . 2]" 2
15 4 8 LEU O 4 12 ALA H 2.000 . 2.300 1.949 1.786 2.328 0.028 4 0 "[ . 1 . 2]" 2
16 4 8 LEU O 4 12 ALA N 3.000 2.700 3.300 2.850 2.680 3.240 0.020 12 0 "[ . 1 . 2]" 2
17 1 9 VAL O 1 13 ASN H 2.000 . 2.300 2.241 1.987 2.439 0.139 11 0 "[ . 1 . 2]" 2
18 1 9 VAL O 1 13 ASN N 3.000 2.700 3.300 3.154 2.903 3.336 0.036 19 0 "[ . 1 . 2]" 2
19 2 9 VAL O 2 13 ASN H 2.000 . 2.300 2.242 1.987 2.438 0.138 11 0 "[ . 1 . 2]" 2
20 2 9 VAL O 2 13 ASN N 3.000 2.700 3.300 3.155 2.903 3.336 0.036 19 0 "[ . 1 . 2]" 2
21 3 9 VAL O 3 13 ASN H 2.000 . 2.300 2.242 1.988 2.438 0.138 11 0 "[ . 1 . 2]" 2
22 3 9 VAL O 3 13 ASN N 3.000 2.700 3.300 3.156 2.906 3.337 0.037 19 0 "[ . 1 . 2]" 2
23 4 9 VAL O 4 13 ASN H 2.000 . 2.300 2.241 1.987 2.439 0.139 11 0 "[ . 1 . 2]" 2
24 4 9 VAL O 4 13 ASN N 3.000 2.700 3.300 3.155 2.904 3.336 0.036 19 0 "[ . 1 . 2]" 2
25 1 10 VAL O 1 14 ILE H 2.000 . 2.300 2.132 1.821 2.409 0.109 11 0 "[ . 1 . 2]" 2
26 1 10 VAL O 1 14 ILE N 3.000 2.700 3.300 3.069 2.774 3.318 0.018 7 0 "[ . 1 . 2]" 2
27 2 10 VAL O 2 14 ILE H 2.000 . 2.300 2.133 1.821 2.407 0.107 11 0 "[ . 1 . 2]" 2
28 2 10 VAL O 2 14 ILE N 3.000 2.700 3.300 3.070 2.775 3.319 0.019 7 0 "[ . 1 . 2]" 2
29 3 10 VAL O 3 14 ILE H 2.000 . 2.300 2.133 1.820 2.409 0.109 11 0 "[ . 1 . 2]" 2
30 3 10 VAL O 3 14 ILE N 3.000 2.700 3.300 3.070 2.774 3.318 0.018 7 0 "[ . 1 . 2]" 2
31 4 10 VAL O 4 14 ILE H 2.000 . 2.300 2.133 1.819 2.410 0.110 11 0 "[ . 1 . 2]" 2
32 4 10 VAL O 4 14 ILE N 3.000 2.700 3.300 3.070 2.773 3.319 0.019 7 0 "[ . 1 . 2]" 2
33 1 11 ALA O 1 15 ILE H 2.000 . 2.300 1.927 1.709 2.316 0.016 8 0 "[ . 1 . 2]" 2
34 1 11 ALA O 1 15 ILE N 3.000 2.700 3.300 2.873 2.656 3.236 0.044 19 0 "[ . 1 . 2]" 2
35 2 11 ALA O 2 15 ILE H 2.000 . 2.300 1.928 1.710 2.312 0.012 8 0 "[ . 1 . 2]" 2
36 2 11 ALA O 2 15 ILE N 3.000 2.700 3.300 2.873 2.657 3.232 0.043 19 0 "[ . 1 . 2]" 2
37 3 11 ALA O 3 15 ILE H 2.000 . 2.300 1.927 1.708 2.311 0.011 8 0 "[ . 1 . 2]" 2
38 3 11 ALA O 3 15 ILE N 3.000 2.700 3.300 2.872 2.656 3.231 0.044 19 0 "[ . 1 . 2]" 2
39 4 11 ALA O 4 15 ILE H 2.000 . 2.300 1.928 1.708 2.315 0.015 8 0 "[ . 1 . 2]" 2
40 4 11 ALA O 4 15 ILE N 3.000 2.700 3.300 2.873 2.656 3.233 0.044 19 0 "[ . 1 . 2]" 2
41 1 12 ALA O 1 16 GLY H 2.000 . 2.300 2.019 1.891 2.299 . 0 0 "[ . 1 . 2]" 2
42 1 12 ALA O 1 16 GLY N 3.000 2.700 3.300 2.957 2.828 3.232 . 0 0 "[ . 1 . 2]" 2
43 2 12 ALA O 2 16 GLY H 2.000 . 2.300 2.020 1.890 2.295 . 0 0 "[ . 1 . 2]" 2
44 2 12 ALA O 2 16 GLY N 3.000 2.700 3.300 2.958 2.826 3.231 . 0 0 "[ . 1 . 2]" 2
45 3 12 ALA O 3 16 GLY H 2.000 . 2.300 2.019 1.890 2.296 . 0 0 "[ . 1 . 2]" 2
46 3 12 ALA O 3 16 GLY N 3.000 2.700 3.300 2.957 2.827 3.231 . 0 0 "[ . 1 . 2]" 2
47 4 12 ALA O 4 16 GLY H 2.000 . 2.300 2.020 1.890 2.297 . 0 0 "[ . 1 . 2]" 2
48 4 12 ALA O 4 16 GLY N 3.000 2.700 3.300 2.957 2.827 3.233 . 0 0 "[ . 1 . 2]" 2
49 1 13 ASN O 1 17 ILE H 2.000 . 2.300 2.091 1.925 2.385 0.085 7 0 "[ . 1 . 2]" 2
50 1 13 ASN O 1 17 ILE N 3.000 2.700 3.300 3.039 2.874 3.337 0.037 7 0 "[ . 1 . 2]" 2
51 2 13 ASN O 2 17 ILE H 2.000 . 2.300 2.091 1.923 2.387 0.087 7 0 "[ . 1 . 2]" 2
52 2 13 ASN O 2 17 ILE N 3.000 2.700 3.300 3.039 2.872 3.340 0.040 7 0 "[ . 1 . 2]" 2
53 3 13 ASN O 3 17 ILE H 2.000 . 2.300 2.091 1.925 2.384 0.084 7 0 "[ . 1 . 2]" 2
54 3 13 ASN O 3 17 ILE N 3.000 2.700 3.300 3.039 2.873 3.336 0.036 7 0 "[ . 1 . 2]" 2
55 4 13 ASN O 4 17 ILE H 2.000 . 2.300 2.091 1.925 2.387 0.087 7 0 "[ . 1 . 2]" 2
56 4 13 ASN O 4 17 ILE N 3.000 2.700 3.300 3.039 2.873 3.343 0.043 7 0 "[ . 1 . 2]" 2
57 1 14 ILE O 1 18 LEU H 2.000 . 2.300 1.938 1.705 2.123 . 0 0 "[ . 1 . 2]" 2
58 1 14 ILE O 1 18 LEU N 3.000 2.700 3.300 2.868 2.613 3.072 0.087 8 0 "[ . 1 . 2]" 2
59 2 14 ILE O 2 18 LEU H 2.000 . 2.300 1.938 1.706 2.120 . 0 0 "[ . 1 . 2]" 2
60 2 14 ILE O 2 18 LEU N 3.000 2.700 3.300 2.867 2.613 3.066 0.087 8 0 "[ . 1 . 2]" 2
61 3 14 ILE O 3 18 LEU H 2.000 . 2.300 1.938 1.707 2.123 . 0 0 "[ . 1 . 2]" 2
62 3 14 ILE O 3 18 LEU N 3.000 2.700 3.300 2.867 2.614 3.070 0.086 8 0 "[ . 1 . 2]" 2
63 4 14 ILE O 4 18 LEU H 2.000 . 2.300 1.937 1.706 2.121 . 0 0 "[ . 1 . 2]" 2
64 4 14 ILE O 4 18 LEU N 3.000 2.700 3.300 2.867 2.614 3.069 0.086 8 0 "[ . 1 . 2]" 2
65 1 15 ILE O 1 19 HIS H 2.000 . 2.300 2.006 1.716 2.097 . 0 0 "[ . 1 . 2]" 2
66 1 15 ILE O 1 19 HIS N 3.000 2.700 3.300 2.903 2.638 3.001 0.062 8 0 "[ . 1 . 2]" 2
67 2 15 ILE O 2 19 HIS H 2.000 . 2.300 2.005 1.715 2.091 . 0 0 "[ . 1 . 2]" 2
68 2 15 ILE O 2 19 HIS N 3.000 2.700 3.300 2.902 2.639 2.995 0.061 8 0 "[ . 1 . 2]" 2
69 3 15 ILE O 3 19 HIS H 2.000 . 2.300 2.006 1.715 2.097 . 0 0 "[ . 1 . 2]" 2
70 3 15 ILE O 3 19 HIS N 3.000 2.700 3.300 2.902 2.637 2.999 0.063 8 0 "[ . 1 . 2]" 2
71 4 15 ILE O 4 19 HIS H 2.000 . 2.300 2.005 1.717 2.098 . 0 0 "[ . 1 . 2]" 2
72 4 15 ILE O 4 19 HIS N 3.000 2.700 3.300 2.902 2.640 3.001 0.060 8 0 "[ . 1 . 2]" 2
73 1 16 GLY O 1 20 LEU H 2.000 . 2.300 2.348 2.197 2.424 0.124 9 0 "[ . 1 . 2]" 2
74 1 16 GLY O 1 20 LEU N 3.000 2.700 3.300 3.246 3.124 3.315 0.015 9 0 "[ . 1 . 2]" 2
75 2 16 GLY O 2 20 LEU H 2.000 . 2.300 2.348 2.201 2.415 0.115 17 0 "[ . 1 . 2]" 2
76 2 16 GLY O 2 20 LEU N 3.000 2.700 3.300 3.246 3.127 3.308 0.008 17 0 "[ . 1 . 2]" 2
77 3 16 GLY O 3 20 LEU H 2.000 . 2.300 2.347 2.194 2.415 0.115 9 0 "[ . 1 . 2]" 2
78 3 16 GLY O 3 20 LEU N 3.000 2.700 3.300 3.245 3.121 3.309 0.009 9 0 "[ . 1 . 2]" 2
79 4 16 GLY O 4 20 LEU H 2.000 . 2.300 2.347 2.193 2.416 0.116 9 0 "[ . 1 . 2]" 2
80 4 16 GLY O 4 20 LEU N 3.000 2.700 3.300 3.245 3.121 3.309 0.009 9 0 "[ . 1 . 2]" 2
81 1 17 ILE O 1 21 ILE H 2.000 . 2.300 2.373 2.208 2.424 0.124 9 0 "[ . 1 . 2]" 2
82 1 17 ILE O 1 21 ILE N 3.000 2.700 3.300 3.269 3.105 3.327 0.027 9 0 "[ . 1 . 2]" 2
83 2 17 ILE O 2 21 ILE H 2.000 . 2.300 2.373 2.206 2.426 0.126 9 0 "[ . 1 . 2]" 2
84 2 17 ILE O 2 21 ILE N 3.000 2.700 3.300 3.269 3.105 3.327 0.027 9 0 "[ . 1 . 2]" 2
85 3 17 ILE O 3 21 ILE H 2.000 . 2.300 2.373 2.206 2.426 0.126 9 0 "[ . 1 . 2]" 2
86 3 17 ILE O 3 21 ILE N 3.000 2.700 3.300 3.269 3.106 3.327 0.027 9 0 "[ . 1 . 2]" 2
87 4 17 ILE O 4 21 ILE H 2.000 . 2.300 2.373 2.204 2.425 0.125 9 0 "[ . 1 . 2]" 2
88 4 17 ILE O 4 21 ILE N 3.000 2.700 3.300 3.269 3.105 3.325 0.025 9 0 "[ . 1 . 2]" 2
89 1 18 LEU O 1 22 LEU H 2.000 . 2.300 2.307 2.231 2.395 0.095 11 0 "[ . 1 . 2]" 2
90 1 18 LEU O 1 22 LEU N 3.000 2.700 3.300 3.252 3.177 3.333 0.033 11 0 "[ . 1 . 2]" 2
91 2 18 LEU O 2 22 LEU H 2.000 . 2.300 2.306 2.230 2.395 0.095 11 0 "[ . 1 . 2]" 2
92 2 18 LEU O 2 22 LEU N 3.000 2.700 3.300 3.252 3.178 3.333 0.033 11 0 "[ . 1 . 2]" 2
93 3 18 LEU O 3 22 LEU H 2.000 . 2.300 2.307 2.229 2.394 0.094 11 0 "[ . 1 . 2]" 2
94 3 18 LEU O 3 22 LEU N 3.000 2.700 3.300 3.252 3.178 3.334 0.034 11 0 "[ . 1 . 2]" 2
95 4 18 LEU O 4 22 LEU H 2.000 . 2.300 2.306 2.230 2.394 0.094 11 0 "[ . 1 . 2]" 2
96 4 18 LEU O 4 22 LEU N 3.000 2.700 3.300 3.252 3.179 3.332 0.032 11 0 "[ . 1 . 2]" 2
97 1 19 HIS O 1 23 TRP H 2.000 . 2.300 1.779 1.728 1.902 . 0 0 "[ . 1 . 2]" 2
98 1 19 HIS O 1 23 TRP N 3.000 2.700 3.300 2.741 2.687 2.865 0.013 7 0 "[ . 1 . 2]" 2
99 2 19 HIS O 2 23 TRP H 2.000 . 2.300 1.778 1.727 1.899 . 0 0 "[ . 1 . 2]" 2
100 2 19 HIS O 2 23 TRP N 3.000 2.700 3.300 2.740 2.683 2.862 0.017 7 0 "[ . 1 . 2]" 2
101 3 19 HIS O 3 23 TRP H 2.000 . 2.300 1.778 1.727 1.907 . 0 0 "[ . 1 . 2]" 2
102 3 19 HIS O 3 23 TRP N 3.000 2.700 3.300 2.740 2.683 2.870 0.017 7 0 "[ . 1 . 2]" 2
103 4 19 HIS O 4 23 TRP H 2.000 . 2.300 1.778 1.727 1.904 . 0 0 "[ . 1 . 2]" 2
104 4 19 HIS O 4 23 TRP N 3.000 2.700 3.300 2.741 2.683 2.867 0.017 7 0 "[ . 1 . 2]" 2
105 1 20 LEU O 1 24 ILE H 2.000 . 2.300 1.731 1.683 1.800 0.017 9 0 "[ . 1 . 2]" 2
106 1 20 LEU O 1 24 ILE N 3.000 2.700 3.300 2.652 2.592 2.718 0.108 9 0 "[ . 1 . 2]" 2
107 2 20 LEU O 2 24 ILE H 2.000 . 2.300 1.732 1.688 1.805 0.012 9 0 "[ . 1 . 2]" 2
108 2 20 LEU O 2 24 ILE N 3.000 2.700 3.300 2.653 2.598 2.722 0.102 9 0 "[ . 1 . 2]" 2
109 3 20 LEU O 3 24 ILE H 2.000 . 2.300 1.731 1.687 1.804 0.013 9 0 "[ . 1 . 2]" 2
110 3 20 LEU O 3 24 ILE N 3.000 2.700 3.300 2.652 2.596 2.721 0.104 9 0 "[ . 1 . 2]" 2
111 4 20 LEU O 4 24 ILE H 2.000 . 2.300 1.732 1.685 1.802 0.015 9 0 "[ . 1 . 2]" 2
112 4 20 LEU O 4 24 ILE N 3.000 2.700 3.300 2.653 2.595 2.720 0.105 9 0 "[ . 1 . 2]" 2
113 1 21 ILE O 1 25 LEU H 2.000 . 2.300 2.243 2.031 2.426 0.126 19 0 "[ . 1 . 2]" 2
114 1 21 ILE O 1 25 LEU N 3.000 2.700 3.300 3.128 2.955 3.308 0.008 19 0 "[ . 1 . 2]" 2
115 2 21 ILE O 2 25 LEU H 2.000 . 2.300 2.243 2.032 2.427 0.127 19 0 "[ . 1 . 2]" 2
116 2 21 ILE O 2 25 LEU N 3.000 2.700 3.300 3.128 2.955 3.309 0.009 19 0 "[ . 1 . 2]" 2
117 3 21 ILE O 3 25 LEU H 2.000 . 2.300 2.244 2.029 2.425 0.125 19 0 "[ . 1 . 2]" 2
118 3 21 ILE O 3 25 LEU N 3.000 2.700 3.300 3.129 2.954 3.309 0.009 19 0 "[ . 1 . 2]" 2
119 4 21 ILE O 4 25 LEU H 2.000 . 2.300 2.243 2.030 2.426 0.126 19 0 "[ . 1 . 2]" 2
120 4 21 ILE O 4 25 LEU N 3.000 2.700 3.300 3.128 2.956 3.309 0.009 19 0 "[ . 1 . 2]" 2
121 1 22 LEU O 1 26 ASP H 2.000 . 2.300 2.132 1.915 2.350 0.050 18 0 "[ . 1 . 2]" 2
122 1 22 LEU O 1 26 ASP N 3.000 2.700 3.300 3.036 2.834 3.260 . 0 0 "[ . 1 . 2]" 2
123 2 22 LEU O 2 26 ASP H 2.000 . 2.300 2.132 1.916 2.350 0.050 18 0 "[ . 1 . 2]" 2
124 2 22 LEU O 2 26 ASP N 3.000 2.700 3.300 3.036 2.835 3.259 . 0 0 "[ . 1 . 2]" 2
125 3 22 LEU O 3 26 ASP H 2.000 . 2.300 2.132 1.916 2.350 0.050 18 0 "[ . 1 . 2]" 2
126 3 22 LEU O 3 26 ASP N 3.000 2.700 3.300 3.036 2.836 3.261 . 0 0 "[ . 1 . 2]" 2
127 4 22 LEU O 4 26 ASP H 2.000 . 2.300 2.132 1.913 2.352 0.052 18 0 "[ . 1 . 2]" 2
128 4 22 LEU O 4 26 ASP N 3.000 2.700 3.300 3.036 2.834 3.261 . 0 0 "[ . 1 . 2]" 2
129 1 23 TRP O 1 27 ARG H 2.000 . 2.300 2.268 1.998 2.395 0.095 8 0 "[ . 1 . 2]" 2
130 1 23 TRP O 1 27 ARG N 3.000 2.700 3.300 3.179 2.928 3.302 0.002 14 0 "[ . 1 . 2]" 2
131 2 23 TRP O 2 27 ARG H 2.000 . 2.300 2.268 1.998 2.394 0.094 8 0 "[ . 1 . 2]" 2
132 2 23 TRP O 2 27 ARG N 3.000 2.700 3.300 3.179 2.928 3.301 0.001 14 0 "[ . 1 . 2]" 2
133 3 23 TRP O 3 27 ARG H 2.000 . 2.300 2.267 1.999 2.392 0.092 8 0 "[ . 1 . 2]" 2
134 3 23 TRP O 3 27 ARG N 3.000 2.700 3.300 3.179 2.929 3.301 0.001 14 0 "[ . 1 . 2]" 2
135 4 23 TRP O 4 27 ARG H 2.000 . 2.300 2.267 1.998 2.393 0.093 8 0 "[ . 1 . 2]" 2
136 4 23 TRP O 4 27 ARG N 3.000 2.700 3.300 3.179 2.928 3.300 0.000 14 0 "[ . 1 . 2]" 2
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