NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
496296 |
2l5g   |
17271 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l5g
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 689
_Distance_constraint_stats_list.Viol_count 4856
_Distance_constraint_stats_list.Viol_total 3389.083
_Distance_constraint_stats_list.Viol_max 0.203
_Distance_constraint_stats_list.Viol_rms 0.0114
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0199
_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 LYS 0.141 0.025 19 0 "[ . 1 . 2 . 3 .]"
1 3 GLU 0.414 0.055 17 0 "[ . 1 . 2 . 3 .]"
1 4 MET 1.372 0.070 24 0 "[ . 1 . 2 . 3 .]"
1 5 GLU 1.853 0.070 24 0 "[ . 1 . 2 . 3 .]"
1 6 GLU 1.706 0.057 28 0 "[ . 1 . 2 . 3 .]"
1 7 ARG 1.950 0.056 6 0 "[ . 1 . 2 . 3 .]"
1 8 MET 2.520 0.058 22 0 "[ . 1 . 2 . 3 .]"
1 9 SER 2.038 0.058 22 0 "[ . 1 . 2 . 3 .]"
1 10 LEU 1.632 0.027 4 0 "[ . 1 . 2 . 3 .]"
1 11 GLU 2.770 0.066 13 0 "[ . 1 . 2 . 3 .]"
1 12 GLU 3.586 0.069 15 0 "[ . 1 . 2 . 3 .]"
1 13 THR 2.227 0.069 15 0 "[ . 1 . 2 . 3 .]"
1 14 LYS 1.175 0.025 4 0 "[ . 1 . 2 . 3 .]"
1 15 GLU 3.656 0.063 35 0 "[ . 1 . 2 . 3 .]"
1 16 GLN 4.849 0.066 11 0 "[ . 1 . 2 . 3 .]"
1 17 ILE 2.854 0.047 11 0 "[ . 1 . 2 . 3 .]"
1 18 LEU 1.617 0.039 6 0 "[ . 1 . 2 . 3 .]"
1 19 LYS 2.255 0.066 11 0 "[ . 1 . 2 . 3 .]"
1 20 LEU 1.125 0.064 3 0 "[ . 1 . 2 . 3 .]"
1 21 GLU 2.440 0.063 18 0 "[ . 1 . 2 . 3 .]"
1 22 GLU 3.684 0.063 18 0 "[ . 1 . 2 . 3 .]"
1 23 LYS 1.465 0.049 14 0 "[ . 1 . 2 . 3 .]"
1 24 LEU 2.116 0.042 31 0 "[ . 1 . 2 . 3 .]"
1 25 LEU 2.669 0.047 34 0 "[ . 1 . 2 . 3 .]"
1 26 ALA 3.693 0.063 15 0 "[ . 1 . 2 . 3 .]"
1 27 LEU 2.766 0.045 22 0 "[ . 1 . 2 . 3 .]"
1 28 GLN 1.931 0.070 27 0 "[ . 1 . 2 . 3 .]"
1 29 GLU 1.782 0.063 15 0 "[ . 1 . 2 . 3 .]"
1 30 GLU 2.752 0.120 34 0 "[ . 1 . 2 . 3 .]"
1 31 LYS 2.345 0.070 27 0 "[ . 1 . 2 . 3 .]"
1 32 HIS 2.008 0.047 26 0 "[ . 1 . 2 . 3 .]"
1 33 GLN 2.401 0.120 34 0 "[ . 1 . 2 . 3 .]"
1 34 LEU 0.745 0.053 34 0 "[ . 1 . 2 . 3 .]"
1 35 PHE 1.849 0.069 10 0 "[ . 1 . 2 . 3 .]"
1 36 LEU 2.408 0.069 10 0 "[ . 1 . 2 . 3 .]"
1 37 GLN 0.986 0.025 31 0 "[ . 1 . 2 . 3 .]"
1 38 LEU 1.576 0.051 17 0 "[ . 1 . 2 . 3 .]"
2 1 GLY 0.750 0.145 25 0 "[ . 1 . 2 . 3 .]"
2 2 LEU 5.620 0.203 33 0 "[ . 1 . 2 . 3 .]"
2 3 SER 2.725 0.150 24 0 "[ . 1 . 2 . 3 .]"
2 4 LYS 2.547 0.056 29 0 "[ . 1 . 2 . 3 .]"
2 5 GLU 3.387 0.162 21 0 "[ . 1 . 2 . 3 .]"
2 6 GLU 9.127 0.150 24 0 "[ . 1 . 2 . 3 .]"
2 7 LEU 1.477 0.048 10 0 "[ . 1 . 2 . 3 .]"
2 8 ILE 3.805 0.085 25 0 "[ . 1 . 2 . 3 .]"
2 9 GLN 4.167 0.101 22 0 "[ . 1 . 2 . 3 .]"
2 10 ASN 2.363 0.062 34 0 "[ . 1 . 2 . 3 .]"
2 11 MET 5.321 0.085 25 0 "[ . 1 . 2 . 3 .]"
2 12 ASP 2.586 0.068 34 0 "[ . 1 . 2 . 3 .]"
2 13 ARG 2.447 0.070 14 0 "[ . 1 . 2 . 3 .]"
2 14 VAL 2.456 0.080 30 0 "[ . 1 . 2 . 3 .]"
2 15 ASP 2.488 0.058 14 0 "[ . 1 . 2 . 3 .]"
2 16 ARG 1.621 0.111 31 0 "[ . 1 . 2 . 3 .]"
2 17 GLU 2.264 0.069 34 0 "[ . 1 . 2 . 3 .]"
2 18 ILE 4.120 0.069 34 0 "[ . 1 . 2 . 3 .]"
2 19 THR 1.571 0.034 3 0 "[ . 1 . 2 . 3 .]"
2 20 MET 1.406 0.045 33 0 "[ . 1 . 2 . 3 .]"
2 21 VAL 1.692 0.041 18 0 "[ . 1 . 2 . 3 .]"
2 22 GLU 1.817 0.041 18 0 "[ . 1 . 2 . 3 .]"
2 23 GLN 3.248 0.045 33 0 "[ . 1 . 2 . 3 .]"
2 24 GLN 2.045 0.038 11 0 "[ . 1 . 2 . 3 .]"
2 25 ILE 1.835 0.064 3 0 "[ . 1 . 2 . 3 .]"
2 26 SER 2.142 0.051 16 0 "[ . 1 . 2 . 3 .]"
2 27 LYS 2.285 0.044 16 0 "[ . 1 . 2 . 3 .]"
2 28 LEU 1.968 0.096 12 0 "[ . 1 . 2 . 3 .]"
2 29 LYS 1.362 0.041 15 0 "[ . 1 . 2 . 3 .]"
2 30 LYS 2.845 0.050 26 0 "[ . 1 . 2 . 3 .]"
2 31 LYS 2.954 0.096 12 0 "[ . 1 . 2 . 3 .]"
2 32 GLN 2.272 0.046 29 0 "[ . 1 . 2 . 3 .]"
2 33 GLN 4.373 0.075 26 0 "[ . 1 . 2 . 3 .]"
2 34 GLN 3.797 0.064 1 0 "[ . 1 . 2 . 3 .]"
2 35 LEU 0.877 0.030 32 0 "[ . 1 . 2 . 3 .]"
2 36 GLU 1.831 0.075 26 0 "[ . 1 . 2 . 3 .]"
2 37 GLU 2.614 0.033 28 0 "[ . 1 . 2 . 3 .]"
2 38 GLU 1.394 0.030 32 0 "[ . 1 . 2 . 3 .]"
2 39 ALA 1.776 0.028 32 0 "[ . 1 . 2 . 3 .]"
2 40 ALA 1.836 0.041 7 0 "[ . 1 . 2 . 3 .]"
2 41 LYS 1.098 0.041 7 0 "[ . 1 . 2 . 3 .]"
2 42 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
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 LYS HA 1 3 GLU H 2.800 . 2.800 2.598 2.361 2.815 0.015 13 0 "[ . 1 . 2 . 3 .]" 1
2 1 2 LYS HA 1 5 GLU H 5.000 . 5.000 4.629 3.449 5.025 0.025 19 0 "[ . 1 . 2 . 3 .]" 1
3 1 2 LYS QB 1 3 GLU H 2.800 . 2.800 2.398 1.978 2.805 0.005 27 0 "[ . 1 . 2 . 3 .]" 1
4 1 2 LYS QG 1 3 GLU H 3.500 . 3.500 3.015 1.968 3.515 0.015 19 0 "[ . 1 . 2 . 3 .]" 1
5 1 3 GLU H 1 3 GLU QB 3.500 . 3.500 2.671 2.095 3.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
6 1 3 GLU H 1 3 GLU QG 2.800 . 2.800 2.476 1.935 2.801 0.001 13 0 "[ . 1 . 2 . 3 .]" 1
7 1 3 GLU H 1 4 MET H 3.500 . 3.500 2.515 1.980 2.846 . 0 0 "[ . 1 . 2 . 3 .]" 1
8 1 3 GLU HA 1 4 MET H 3.500 . 3.500 3.312 2.898 3.555 0.055 17 0 "[ . 1 . 2 . 3 .]" 1
9 1 3 GLU HA 1 6 GLU H 5.000 . 5.000 4.004 3.348 5.019 0.019 7 0 "[ . 1 . 2 . 3 .]" 1
10 1 4 MET H 1 4 MET HB2 2.800 . 2.800 2.357 2.055 2.801 0.001 30 0 "[ . 1 . 2 . 3 .]" 1
11 1 4 MET HA 1 5 GLU H 3.500 . 3.500 3.504 3.111 3.570 0.070 24 0 "[ . 1 . 2 . 3 .]" 1
12 1 4 MET HA 1 6 GLU H 5.000 . 5.000 4.050 3.772 4.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 4 MET HA 1 7 ARG H 3.500 . 3.500 3.418 3.172 3.525 0.025 24 0 "[ . 1 . 2 . 3 .]" 1
14 1 4 MET HA 1 8 MET H 5.000 . 5.000 4.818 4.140 5.010 0.010 31 0 "[ . 1 . 2 . 3 .]" 1
15 1 5 GLU H 1 6 GLU H 2.800 . 2.800 2.615 2.346 2.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
16 1 5 GLU HA 1 6 GLU H 3.500 . 3.500 3.518 3.506 3.557 0.057 28 0 "[ . 1 . 2 . 3 .]" 1
17 1 5 GLU HA 1 8 MET H 3.500 . 3.500 3.476 3.228 3.519 0.019 34 0 "[ . 1 . 2 . 3 .]" 1
18 1 6 GLU H 1 7 ARG H 2.800 . 2.800 2.542 2.454 2.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
19 1 6 GLU H 1 8 MET H 5.000 . 5.000 4.086 3.850 4.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
20 1 6 GLU HA 1 7 ARG H 3.500 . 3.500 3.521 3.513 3.556 0.056 6 0 "[ . 1 . 2 . 3 .]" 1
21 1 6 GLU HA 1 9 SER H 3.500 . 3.500 3.493 3.313 3.527 0.027 11 0 "[ . 1 . 2 . 3 .]" 1
22 1 7 ARG H 1 7 ARG QD 5.000 . 5.000 4.123 3.295 4.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
23 1 7 ARG H 1 8 MET H 2.800 . 2.800 2.534 2.473 2.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
24 1 7 ARG HA 1 8 MET H 3.500 . 3.500 3.522 3.512 3.554 0.054 24 0 "[ . 1 . 2 . 3 .]" 1
25 1 7 ARG HA 1 10 LEU H 3.500 . 3.500 3.487 3.313 3.526 0.026 24 0 "[ . 1 . 2 . 3 .]" 1
26 1 8 MET H 1 8 MET QB 2.800 . 2.800 2.060 1.963 2.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
27 1 8 MET H 1 8 MET QG 3.500 . 3.500 2.910 2.101 3.516 0.016 31 0 "[ . 1 . 2 . 3 .]" 1
28 1 8 MET H 1 9 SER H 2.800 . 2.800 2.543 2.467 2.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
29 1 8 MET H 2 39 ALA MB 6.000 . 6.000 5.928 5.744 6.010 0.010 15 0 "[ . 1 . 2 . 3 .]" 1
30 1 8 MET HA 1 9 SER H 3.500 . 3.500 3.525 3.517 3.558 0.058 22 0 "[ . 1 . 2 . 3 .]" 1
31 1 8 MET HA 1 11 GLU H 3.500 . 3.500 3.511 3.469 3.530 0.030 24 0 "[ . 1 . 2 . 3 .]" 1
32 1 8 MET QB 1 9 SER H 5.000 . 5.000 2.749 2.522 2.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 9 SER H 1 9 SER QB 2.800 . 2.800 2.206 1.996 2.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
34 1 9 SER H 1 10 LEU H 2.800 . 2.800 2.561 2.471 2.641 . 0 0 "[ . 1 . 2 . 3 .]" 1
35 1 9 SER H 2 35 LEU QD 6.000 . 6.000 4.772 4.148 5.501 . 0 0 "[ . 1 . 2 . 3 .]" 1
36 1 9 SER HA 1 10 LEU H 3.500 . 3.500 3.517 3.512 3.521 0.021 13 0 "[ . 1 . 2 . 3 .]" 1
37 1 9 SER HA 1 11 GLU H 5.000 . 5.000 4.054 3.952 4.186 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 9 SER HA 1 12 GLU H 3.500 . 3.500 3.452 3.265 3.527 0.027 1 0 "[ . 1 . 2 . 3 .]" 1
39 1 9 SER HA 1 13 THR H 5.000 . 5.000 4.570 4.090 5.003 0.003 11 0 "[ . 1 . 2 . 3 .]" 1
40 1 9 SER HA 2 35 LEU QD 6.000 . 6.000 4.527 3.803 5.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
41 1 9 SER QB 1 10 LEU H 5.000 . 5.000 2.882 2.692 3.483 . 0 0 "[ . 1 . 2 . 3 .]" 1
42 1 10 LEU H 1 10 LEU QB 3.500 . 3.500 2.092 1.974 2.185 . 0 0 "[ . 1 . 2 . 3 .]" 1
43 1 10 LEU H 1 10 LEU QD 5.000 . 5.000 3.428 2.197 3.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
44 1 10 LEU H 1 11 GLU H 2.800 . 2.800 2.587 2.482 2.662 . 0 0 "[ . 1 . 2 . 3 .]" 1
45 1 10 LEU H 2 35 LEU QD 5.000 . 5.000 3.463 2.931 4.000 . 0 0 "[ . 1 . 2 . 3 .]" 1
46 1 10 LEU HA 1 11 GLU H 3.500 . 3.500 3.518 3.514 3.527 0.027 4 0 "[ . 1 . 2 . 3 .]" 1
47 1 10 LEU HA 1 13 THR H 3.500 . 3.500 3.422 3.275 3.511 0.011 10 0 "[ . 1 . 2 . 3 .]" 1
48 1 10 LEU HA 1 13 THR HB 3.500 . 3.500 2.811 2.371 3.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 10 LEU HA 1 13 THR MG 5.000 . 5.000 4.101 3.705 4.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
50 1 10 LEU HA 2 35 LEU QD 3.500 . 3.500 2.112 1.835 2.535 . 0 0 "[ . 1 . 2 . 3 .]" 1
51 1 10 LEU QB 2 35 LEU QD 5.000 . 5.000 3.054 2.502 3.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
52 1 10 LEU QD 1 13 THR HB 5.000 . 5.000 3.679 2.727 4.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
53 1 10 LEU QD 1 13 THR MG 5.000 . 5.000 4.049 2.914 4.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
54 1 10 LEU QD 1 14 LYS QE 5.000 . 5.000 3.359 2.042 5.001 0.001 16 0 "[ . 1 . 2 . 3 .]" 1
55 1 10 LEU QD 1 14 LYS QG 5.000 . 5.000 2.739 1.861 3.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
56 1 10 LEU QD 2 32 GLN HA 5.000 . 5.000 4.122 3.274 4.799 . 0 0 "[ . 1 . 2 . 3 .]" 1
57 1 10 LEU QD 2 32 GLN QE 5.000 . 5.000 2.669 1.603 3.732 . 0 0 "[ . 1 . 2 . 3 .]" 1
58 1 10 LEU QD 2 35 LEU H 5.000 . 5.000 4.573 4.147 4.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 10 LEU QD 2 35 LEU HA 5.000 . 5.000 4.180 3.324 4.797 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 10 LEU QD 2 35 LEU QB 3.500 . 3.500 2.634 1.937 3.353 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 10 LEU QD 2 35 LEU QD 2.800 . 2.800 2.266 1.712 2.797 . 0 0 "[ . 1 . 2 . 3 .]" 1
62 1 10 LEU QD 2 36 GLU H 5.000 . 5.000 3.377 3.033 3.827 . 0 0 "[ . 1 . 2 . 3 .]" 1
63 1 10 LEU QD 2 36 GLU QB 5.000 . 5.000 3.309 2.964 3.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
64 1 10 LEU QD 2 36 GLU QG 3.500 . 3.500 1.818 1.631 2.725 . 0 0 "[ . 1 . 2 . 3 .]" 1
65 1 10 LEU QD 2 39 ALA MB 3.500 . 3.500 2.894 2.098 3.504 0.004 10 0 "[ . 1 . 2 . 3 .]" 1
66 1 11 GLU H 1 12 GLU H 2.800 . 2.800 2.581 2.469 2.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
67 1 11 GLU H 1 13 THR H 5.000 . 5.000 4.102 3.824 4.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 11 GLU H 2 35 LEU QD 5.000 . 5.000 4.782 4.449 5.006 0.006 1 0 "[ . 1 . 2 . 3 .]" 1
69 1 11 GLU HA 1 12 GLU H 3.500 . 3.500 3.533 3.518 3.566 0.066 13 0 "[ . 1 . 2 . 3 .]" 1
70 1 11 GLU HA 1 13 THR H 5.000 . 5.000 4.443 4.257 4.792 . 0 0 "[ . 1 . 2 . 3 .]" 1
71 1 11 GLU HA 1 14 LYS H 3.500 . 3.500 3.512 3.424 3.525 0.025 4 0 "[ . 1 . 2 . 3 .]" 1
72 1 11 GLU HA 1 15 GLU H 5.000 . 5.000 4.600 4.328 4.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
73 1 12 GLU H 1 13 THR H 2.800 . 2.800 2.529 2.447 2.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 12 GLU HA 1 13 THR H 3.500 . 3.500 3.536 3.517 3.569 0.069 15 0 "[ . 1 . 2 . 3 .]" 1
75 1 12 GLU HA 1 15 GLU H 3.500 . 3.500 3.526 3.513 3.542 0.042 10 0 "[ . 1 . 2 . 3 .]" 1
76 1 13 THR H 1 13 THR HB 2.800 . 2.800 2.473 2.413 2.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 13 THR H 1 14 LYS H 2.800 . 2.800 2.519 2.466 2.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
78 1 13 THR H 2 35 LEU QD 5.000 . 5.000 4.044 3.624 4.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 13 THR HA 1 13 THR MG 3.500 . 3.500 2.322 2.117 2.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 13 THR HA 1 16 GLN H 3.500 . 3.500 3.517 3.429 3.541 0.041 11 0 "[ . 1 . 2 . 3 .]" 1
81 1 13 THR HA 2 28 LEU QD 5.000 . 5.000 4.771 4.425 5.014 0.014 30 0 "[ . 1 . 2 . 3 .]" 1
82 1 13 THR HA 2 35 LEU MD2 5.000 . 5.000 4.927 4.531 5.021 0.021 26 0 "[ . 1 . 2 . 3 .]" 1
83 1 13 THR HB 1 14 LYS H 5.000 . 5.000 2.736 2.554 2.799 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 13 THR HB 2 35 LEU QD 3.500 . 3.500 2.959 2.618 3.224 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 13 THR MG 1 17 ILE MD 5.000 . 5.000 2.147 1.823 3.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
86 1 13 THR MG 1 17 ILE MG 5.000 . 5.000 4.663 4.333 4.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 13 THR MG 2 28 LEU QD 3.500 . 3.500 3.242 2.980 3.508 0.008 30 0 "[ . 1 . 2 . 3 .]" 1
88 1 13 THR MG 2 32 GLN HA 3.500 . 3.500 3.334 2.942 3.507 0.007 6 0 "[ . 1 . 2 . 3 .]" 1
89 1 13 THR MG 2 32 GLN QE 2.800 . 2.800 2.408 1.782 2.807 0.007 7 0 "[ . 1 . 2 . 3 .]" 1
90 1 13 THR MG 2 35 LEU QD 3.500 . 3.500 2.740 2.321 3.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 14 LYS H 1 14 LYS QD 5.000 . 5.000 4.262 3.899 4.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 14 LYS H 1 14 LYS HG2 3.500 . 3.500 2.966 2.418 3.507 0.007 29 0 "[ . 1 . 2 . 3 .]" 1
93 1 14 LYS H 1 15 GLU H 2.800 . 2.800 2.558 2.509 2.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
94 1 14 LYS H 2 35 LEU QD 5.000 . 5.000 4.931 4.587 5.012 0.012 18 0 "[ . 1 . 2 . 3 .]" 1
95 1 14 LYS HA 1 15 GLU H 3.500 . 3.500 3.516 3.512 3.520 0.020 10 0 "[ . 1 . 2 . 3 .]" 1
96 1 14 LYS HA 1 17 ILE H 3.500 . 3.500 3.362 3.209 3.504 0.004 19 0 "[ . 1 . 2 . 3 .]" 1
97 1 14 LYS HA 1 18 LEU H 5.000 . 5.000 4.133 3.811 4.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 14 LYS QD 1 17 ILE MG 5.000 . 5.000 3.859 3.130 5.006 0.006 27 0 "[ . 1 . 2 . 3 .]" 1
99 1 14 LYS QE 1 17 ILE MD 5.000 . 5.000 3.575 2.191 4.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 14 LYS QE 1 17 ILE MG 5.000 . 5.000 4.206 2.594 5.002 0.002 27 0 "[ . 1 . 2 . 3 .]" 1
101 1 14 LYS QG 2 35 LEU QD 5.000 . 5.000 4.800 4.511 5.003 0.003 12 0 "[ . 1 . 2 . 3 .]" 1
102 1 15 GLU H 1 16 GLN H 2.800 . 2.800 2.602 2.482 2.721 . 0 0 "[ . 1 . 2 . 3 .]" 1
103 1 15 GLU HA 1 16 GLN H 3.500 . 3.500 3.541 3.516 3.563 0.063 35 0 "[ . 1 . 2 . 3 .]" 1
104 1 15 GLU HA 1 18 LEU H 3.500 . 3.500 3.522 3.512 3.532 0.032 32 0 "[ . 1 . 2 . 3 .]" 1
105 1 15 GLU HA 1 18 LEU QB 3.500 . 3.500 2.669 2.453 2.825 . 0 0 "[ . 1 . 2 . 3 .]" 1
106 1 15 GLU HA 1 18 LEU QD 3.500 . 3.500 3.196 2.122 3.502 0.002 34 0 "[ . 1 . 2 . 3 .]" 1
107 1 15 GLU HA 1 19 LYS H 5.000 . 5.000 4.482 4.154 4.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
108 1 16 GLN H 1 17 ILE H 2.800 . 2.800 2.481 2.424 2.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
109 1 16 GLN H 2 28 LEU QD 5.000 . 5.000 4.990 4.802 5.018 0.018 20 0 "[ . 1 . 2 . 3 .]" 1
110 1 16 GLN HA 1 17 ILE H 3.500 . 3.500 3.532 3.517 3.547 0.047 11 0 "[ . 1 . 2 . 3 .]" 1
111 1 16 GLN HA 1 19 LYS H 3.500 . 3.500 3.535 3.511 3.566 0.066 11 0 "[ . 1 . 2 . 3 .]" 1
112 1 16 GLN HA 1 19 LYS QB 3.500 . 3.500 3.036 2.845 3.437 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 16 GLN QB 2 28 LEU QD 3.500 . 3.500 3.205 2.717 3.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
114 1 16 GLN QE 1 19 LYS QB 5.000 . 5.000 2.690 2.392 3.071 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 16 GLN QE 1 19 LYS QG 3.500 . 3.500 3.468 3.275 3.511 0.011 31 0 "[ . 1 . 2 . 3 .]" 1
116 1 16 GLN QE 1 20 LEU QB 5.000 . 5.000 4.448 3.745 4.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
117 1 16 GLN QE 1 20 LEU QD 3.500 . 3.500 3.236 1.907 3.510 0.010 10 0 "[ . 1 . 2 . 3 .]" 1
118 1 16 GLN QE 2 28 LEU QD 5.000 . 5.000 3.982 3.236 4.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 16 GLN QG 2 28 LEU QD 3.500 . 3.500 2.828 2.439 3.513 0.013 11 0 "[ . 1 . 2 . 3 .]" 1
120 1 17 ILE H 1 17 ILE MD 5.000 . 5.000 3.280 3.031 3.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
121 1 17 ILE H 1 18 LEU H 2.800 . 2.800 2.501 2.433 2.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
122 1 17 ILE H 2 28 LEU QD 5.000 . 5.000 3.758 3.495 4.038 . 0 0 "[ . 1 . 2 . 3 .]" 1
123 1 17 ILE HA 1 17 ILE MG 3.500 . 3.500 2.342 2.267 2.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
124 1 17 ILE HA 1 18 LEU H 3.500 . 3.500 3.515 3.510 3.519 0.019 1 0 "[ . 1 . 2 . 3 .]" 1
125 1 17 ILE HA 1 20 LEU H 3.500 . 3.500 3.451 3.229 3.525 0.025 24 0 "[ . 1 . 2 . 3 .]" 1
126 1 17 ILE HA 2 28 LEU QD 3.500 . 3.500 2.794 2.340 3.267 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 17 ILE MD 1 17 ILE MG 3.500 . 3.500 1.984 1.710 2.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
128 1 17 ILE MD 1 18 LEU H 5.000 . 5.000 4.555 4.415 4.655 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 17 ILE MD 2 28 LEU QD 2.800 . 2.800 2.731 1.697 2.845 0.045 16 0 "[ . 1 . 2 . 3 .]" 1
130 1 17 ILE MD 2 29 LYS HA 5.000 . 5.000 3.328 2.898 3.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
131 1 17 ILE MD 2 29 LYS QB 5.000 . 5.000 4.829 3.991 5.007 0.007 1 0 "[ . 1 . 2 . 3 .]" 1
132 1 17 ILE MD 2 29 LYS QD 3.500 . 3.500 3.363 2.785 3.507 0.007 23 0 "[ . 1 . 2 . 3 .]" 1
133 1 17 ILE MD 2 29 LYS QE 5.000 . 5.000 4.401 3.161 4.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 17 ILE MD 2 31 LYS QE 5.000 . 5.000 2.966 2.572 3.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 17 ILE MD 2 32 GLN H 6.000 . 6.000 3.970 3.672 4.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 17 ILE MD 2 32 GLN QE 5.000 . 5.000 2.576 1.816 5.000 . 0 0 "[ . 1 . 2 . 3 .]" 1
137 1 17 ILE MG 2 25 ILE MG 3.500 . 3.500 3.327 2.921 3.517 0.017 30 0 "[ . 1 . 2 . 3 .]" 1
138 1 17 ILE MG 2 29 LYS QB 5.000 . 5.000 3.947 3.461 4.553 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 17 ILE MG 2 29 LYS QD 3.500 . 3.500 2.451 2.049 2.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
140 1 17 ILE MG 2 29 LYS QE 3.500 . 3.500 3.099 2.064 3.523 0.023 13 0 "[ . 1 . 2 . 3 .]" 1
141 1 17 ILE MG 2 31 LYS QE 5.000 . 5.000 4.981 4.621 5.032 0.032 20 0 "[ . 1 . 2 . 3 .]" 1
142 1 17 ILE MG 2 32 GLN H 6.000 . 6.000 5.516 5.068 6.009 0.009 22 0 "[ . 1 . 2 . 3 .]" 1
143 1 18 LEU H 1 18 LEU QD 5.000 . 5.000 3.584 2.699 3.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 18 LEU H 1 19 LYS H 2.800 . 2.800 2.559 2.480 2.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
145 1 18 LEU H 1 20 LEU H 5.000 . 5.000 4.003 3.889 4.144 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 18 LEU HA 1 18 LEU QD 3.500 . 3.500 2.485 1.764 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
147 1 18 LEU HA 1 21 GLU H 3.500 . 3.500 3.489 3.368 3.539 0.039 6 0 "[ . 1 . 2 . 3 .]" 1
148 1 18 LEU QD 1 21 GLU H 5.000 . 5.000 4.423 3.967 4.814 . 0 0 "[ . 1 . 2 . 3 .]" 1
149 1 18 LEU QD 1 22 GLU H 5.000 . 5.000 4.486 3.851 5.001 0.001 21 0 "[ . 1 . 2 . 3 .]" 1
150 1 18 LEU QD 1 22 GLU QB 5.000 . 5.000 4.369 3.414 5.017 0.017 7 0 "[ . 1 . 2 . 3 .]" 1
151 1 18 LEU QD 1 22 GLU QG 5.000 . 5.000 4.430 3.152 5.000 0.000 28 0 "[ . 1 . 2 . 3 .]" 1
152 1 19 LYS H 1 20 LEU H 2.800 . 2.800 2.581 2.496 2.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
153 1 19 LYS H 1 21 GLU H 5.000 . 5.000 4.105 3.865 4.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
154 1 19 LYS HA 1 22 GLU H 3.500 . 3.500 3.476 3.397 3.524 0.024 28 0 "[ . 1 . 2 . 3 .]" 1
155 1 19 LYS HA 1 22 GLU QB 3.500 . 3.500 2.902 2.686 3.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
156 1 19 LYS HA 1 23 LYS H 5.000 . 5.000 4.551 4.440 4.635 . 0 0 "[ . 1 . 2 . 3 .]" 1
157 1 19 LYS HA 1 23 LYS QB 5.000 . 5.000 5.008 4.960 5.025 0.025 19 0 "[ . 1 . 2 . 3 .]" 1
158 1 19 LYS QB 1 22 GLU H 5.000 . 5.000 4.985 4.864 5.035 0.035 31 0 "[ . 1 . 2 . 3 .]" 1
159 1 20 LEU H 1 21 GLU H 3.500 . 3.500 2.597 2.507 2.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
160 1 20 LEU H 1 22 GLU H 5.000 . 5.000 4.232 4.017 4.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
161 1 20 LEU HA 1 23 LYS H 3.500 . 3.500 3.310 3.153 3.508 0.008 16 0 "[ . 1 . 2 . 3 .]" 1
162 1 20 LEU HA 1 23 LYS QB 3.500 . 3.500 2.549 2.356 2.766 . 0 0 "[ . 1 . 2 . 3 .]" 1
163 1 20 LEU HA 1 24 LEU H 5.000 . 5.000 4.177 3.835 4.723 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 20 LEU HA 2 21 VAL QG 5.000 . 5.000 4.658 4.423 5.021 0.021 16 0 "[ . 1 . 2 . 3 .]" 1
165 1 20 LEU HA 2 25 ILE MD 3.500 . 3.500 3.460 3.016 3.538 0.038 11 0 "[ . 1 . 2 . 3 .]" 1
166 1 20 LEU HA 2 25 ILE MG 5.000 . 5.000 4.878 4.545 5.064 0.064 3 0 "[ . 1 . 2 . 3 .]" 1
167 1 20 LEU QB 2 25 ILE MD 3.500 . 3.500 2.385 1.833 2.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
168 1 20 LEU QB 2 25 ILE MG 5.000 . 5.000 2.562 2.146 3.054 . 0 0 "[ . 1 . 2 . 3 .]" 1
169 1 20 LEU QD 1 23 LYS H 5.000 . 5.000 4.409 4.025 4.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
170 1 20 LEU QD 1 23 LYS QB 5.000 . 5.000 2.925 2.607 3.472 . 0 0 "[ . 1 . 2 . 3 .]" 1
171 1 20 LEU QD 1 24 LEU H 5.000 . 5.000 4.392 4.009 5.019 0.019 33 0 "[ . 1 . 2 . 3 .]" 1
172 1 20 LEU QD 2 21 VAL HA 5.000 . 5.000 4.492 4.132 5.010 0.010 2 0 "[ . 1 . 2 . 3 .]" 1
173 1 20 LEU QD 2 21 VAL QG 3.500 . 3.500 3.020 2.599 3.527 0.027 3 0 "[ . 1 . 2 . 3 .]" 1
174 1 20 LEU QD 2 24 GLN H 5.000 . 5.000 4.827 4.366 5.009 0.009 18 0 "[ . 1 . 2 . 3 .]" 1
175 1 20 LEU QD 2 24 GLN QG 3.500 . 3.500 3.416 2.799 3.517 0.017 33 0 "[ . 1 . 2 . 3 .]" 1
176 1 20 LEU QD 2 25 ILE MD 2.800 . 2.800 2.232 1.680 2.629 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 21 GLU H 1 22 GLU H 2.800 . 2.800 2.612 2.483 2.712 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 21 GLU HA 1 22 GLU H 3.500 . 3.500 3.540 3.522 3.563 0.063 18 0 "[ . 1 . 2 . 3 .]" 1
179 1 21 GLU HA 1 23 LYS H 5.000 . 5.000 4.311 4.197 4.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
180 1 21 GLU HA 1 24 LEU H 3.500 . 3.500 3.521 3.502 3.542 0.042 31 0 "[ . 1 . 2 . 3 .]" 1
181 1 21 GLU HA 1 25 LEU H 5.000 . 5.000 4.393 4.060 4.936 . 0 0 "[ . 1 . 2 . 3 .]" 1
182 1 21 GLU QB 1 25 LEU QD 5.000 . 5.000 4.149 3.006 5.010 0.010 33 0 "[ . 1 . 2 . 3 .]" 1
183 1 21 GLU QG 1 25 LEU QD 5.000 . 5.000 3.829 1.955 5.005 0.005 13 0 "[ . 1 . 2 . 3 .]" 1
184 1 22 GLU H 1 23 LYS H 2.800 . 2.800 2.476 2.416 2.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 22 GLU H 1 24 LEU H 5.000 . 5.000 3.994 3.880 4.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 22 GLU HA 1 23 LYS H 3.500 . 3.500 3.521 3.515 3.549 0.049 14 0 "[ . 1 . 2 . 3 .]" 1
187 1 22 GLU HA 1 25 LEU H 3.500 . 3.500 3.459 3.293 3.524 0.024 34 0 "[ . 1 . 2 . 3 .]" 1
188 1 22 GLU HA 1 25 LEU QB 3.500 . 3.500 2.712 2.466 2.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 22 GLU HA 1 26 ALA H 5.000 . 5.000 4.244 3.990 4.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
190 1 22 GLU QB 1 25 LEU QD 5.000 . 5.000 4.699 4.143 5.013 0.013 6 0 "[ . 1 . 2 . 3 .]" 1
191 1 22 GLU QB 1 26 ALA H 5.000 . 5.000 5.016 4.987 5.031 0.031 7 0 "[ . 1 . 2 . 3 .]" 1
192 1 22 GLU QB 1 26 ALA MB 5.000 . 5.000 4.387 4.226 4.582 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 22 GLU QG 1 25 LEU QD 5.000 . 5.000 3.717 3.025 4.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
194 1 22 GLU QG 1 26 ALA MB 5.000 . 5.000 4.870 3.993 5.014 0.014 8 0 "[ . 1 . 2 . 3 .]" 1
195 1 23 LYS H 1 24 LEU H 2.800 . 2.800 2.510 2.434 2.648 . 0 0 "[ . 1 . 2 . 3 .]" 1
196 1 23 LYS H 1 25 LEU H 5.000 . 5.000 3.992 3.868 4.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
197 1 23 LYS HA 1 26 ALA H 3.500 . 3.500 3.481 3.368 3.524 0.024 14 0 "[ . 1 . 2 . 3 .]" 1
198 1 23 LYS HA 1 26 ALA MB 3.500 . 3.500 2.647 2.463 2.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
199 1 23 LYS HA 1 27 LEU H 5.000 . 5.000 4.346 4.136 4.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
200 1 23 LYS QB 1 26 ALA H 5.000 . 5.000 4.990 4.919 5.019 0.019 26 0 "[ . 1 . 2 . 3 .]" 1
201 1 23 LYS QB 1 26 ALA MB 5.000 . 5.000 4.440 4.346 4.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
202 1 24 LEU H 1 25 LEU H 2.800 . 2.800 2.485 2.410 2.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 24 LEU H 1 26 ALA H 5.000 . 5.000 3.999 3.888 4.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 24 LEU H 2 21 VAL QG 5.000 . 5.000 4.138 3.824 4.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 24 LEU HA 1 25 LEU H 3.500 . 3.500 3.524 3.515 3.537 0.037 32 0 "[ . 1 . 2 . 3 .]" 1
206 1 24 LEU HA 1 27 LEU H 3.500 . 3.500 3.510 3.379 3.527 0.027 31 0 "[ . 1 . 2 . 3 .]" 1
207 1 24 LEU HA 1 27 LEU QD 5.000 . 5.000 3.610 2.630 4.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
208 1 24 LEU HA 2 21 VAL QG 3.500 . 3.500 2.996 2.696 3.258 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 24 LEU QB 2 21 VAL QG 3.500 . 3.500 3.364 2.822 3.510 0.010 17 0 "[ . 1 . 2 . 3 .]" 1
210 1 24 LEU QD 2 18 ILE HA 5.000 . 5.000 3.904 3.478 4.366 . 0 0 "[ . 1 . 2 . 3 .]" 1
211 1 24 LEU QD 2 18 ILE MD 5.000 . 5.000 4.770 4.044 5.001 0.001 29 0 "[ . 1 . 2 . 3 .]" 1
212 1 24 LEU QD 2 18 ILE MG 3.500 . 3.500 2.653 2.298 2.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
213 1 24 LEU QD 2 19 THR HA 5.000 . 5.000 4.844 4.452 5.008 0.008 28 0 "[ . 1 . 2 . 3 .]" 1
214 1 24 LEU QD 2 21 VAL H 5.000 . 5.000 4.688 4.102 4.977 . 0 0 "[ . 1 . 2 . 3 .]" 1
215 1 24 LEU QD 2 22 GLU H 5.000 . 5.000 3.331 2.872 3.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
216 1 24 LEU QD 2 22 GLU HA 3.500 . 3.500 2.200 1.801 2.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
217 1 24 LEU QD 2 22 GLU QG 2.800 . 2.800 2.297 1.894 2.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
218 1 24 LEU QD 2 25 ILE MD 3.500 . 3.500 2.041 1.692 3.506 0.006 16 0 "[ . 1 . 2 . 3 .]" 1
219 1 25 LEU H 1 26 ALA H 2.800 . 2.800 2.476 2.412 2.544 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 25 LEU H 1 27 LEU H 5.000 . 5.000 3.925 3.860 3.974 . 0 0 "[ . 1 . 2 . 3 .]" 1
221 1 25 LEU HA 1 26 ALA H 3.500 . 3.500 3.533 3.521 3.546 0.046 9 0 "[ . 1 . 2 . 3 .]" 1
222 1 25 LEU HA 1 28 GLN H 3.500 . 3.500 3.513 3.421 3.547 0.047 34 0 "[ . 1 . 2 . 3 .]" 1
223 1 26 ALA H 1 26 ALA MB 3.500 . 3.500 2.048 1.963 2.158 . 0 0 "[ . 1 . 2 . 3 .]" 1
224 1 26 ALA H 1 27 LEU H 2.800 . 2.800 2.520 2.445 2.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 26 ALA H 1 28 GLN H 5.000 . 5.000 4.192 4.006 4.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
226 1 26 ALA H 2 21 VAL QG 6.000 . 6.000 5.856 5.498 6.023 0.023 3 0 "[ . 1 . 2 . 3 .]" 1
227 1 26 ALA HA 1 27 LEU H 3.500 . 3.500 3.518 3.512 3.523 0.023 16 0 "[ . 1 . 2 . 3 .]" 1
228 1 26 ALA HA 1 28 GLN H 5.000 . 5.000 4.466 4.144 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
229 1 26 ALA HA 1 29 GLU H 3.500 . 3.500 3.471 3.251 3.563 0.063 15 0 "[ . 1 . 2 . 3 .]" 1
230 1 26 ALA HA 1 30 GLU H 5.000 . 5.000 4.560 4.350 4.791 . 0 0 "[ . 1 . 2 . 3 .]" 1
231 1 26 ALA MB 1 29 GLU H 5.000 . 5.000 4.598 4.436 4.754 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 26 ALA MB 1 29 GLU QB 5.000 . 5.000 3.903 3.593 4.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 26 ALA MB 1 29 GLU QG 5.000 . 5.000 4.751 3.405 5.015 0.015 3 0 "[ . 1 . 2 . 3 .]" 1
234 1 26 ALA MB 1 30 GLU QB 5.000 . 5.000 4.986 4.772 5.028 0.028 17 0 "[ . 1 . 2 . 3 .]" 1
235 1 26 ALA MB 1 30 GLU QG 5.000 . 5.000 4.675 3.854 5.010 0.010 8 0 "[ . 1 . 2 . 3 .]" 1
236 1 27 LEU H 1 27 LEU QD 5.000 . 5.000 2.850 2.337 3.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
237 1 27 LEU H 1 28 GLN H 2.800 . 2.800 2.566 2.416 2.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 27 LEU HA 1 30 GLU H 3.500 . 3.500 3.518 3.500 3.534 0.034 15 0 "[ . 1 . 2 . 3 .]" 1
239 1 27 LEU HA 2 18 ILE MD 5.000 . 5.000 4.321 3.727 4.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
240 1 27 LEU HA 2 18 ILE MG 5.000 . 5.000 4.923 4.583 5.035 0.035 34 0 "[ . 1 . 2 . 3 .]" 1
241 1 27 LEU QB 2 18 ILE MD 3.500 . 3.500 3.279 2.610 3.511 0.011 27 0 "[ . 1 . 2 . 3 .]" 1
242 1 27 LEU QD 2 17 GLU QG 5.000 . 5.000 2.939 2.247 3.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
243 1 27 LEU QD 2 18 ILE HA 3.500 . 3.500 2.454 1.817 3.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
244 1 27 LEU QD 2 18 ILE MD 3.500 . 3.500 3.253 2.532 3.545 0.045 22 0 "[ . 1 . 2 . 3 .]" 1
245 1 27 LEU QD 2 18 ILE MG 3.500 . 3.500 3.061 1.957 3.525 0.025 33 0 "[ . 1 . 2 . 3 .]" 1
246 1 27 LEU QD 2 21 VAL QG 3.500 . 3.500 2.319 1.689 3.216 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 27 LEU HG 2 18 ILE HA 3.500 . 3.500 3.189 2.468 3.541 0.041 22 0 "[ . 1 . 2 . 3 .]" 1
248 1 28 GLN H 1 29 GLU H 2.800 . 2.800 2.542 2.472 2.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 28 GLN H 1 30 GLU H 5.000 . 5.000 4.075 3.884 4.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
250 1 28 GLN H 2 18 ILE MD 5.000 . 5.000 3.989 3.821 4.217 . 0 0 "[ . 1 . 2 . 3 .]" 1
251 1 28 GLN H 2 18 ILE MG 5.000 . 5.000 3.862 3.619 4.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
252 1 28 GLN HA 1 29 GLU H 3.500 . 3.500 3.518 3.498 3.550 0.050 15 0 "[ . 1 . 2 . 3 .]" 1
253 1 28 GLN HA 1 31 LYS H 3.500 . 3.500 3.522 3.506 3.570 0.070 27 0 "[ . 1 . 2 . 3 .]" 1
254 1 28 GLN HA 2 18 ILE MD 3.500 . 3.500 2.300 1.976 2.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 28 GLN QE 1 28 GLN QG 2.800 . 2.800 2.280 2.179 2.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 28 GLN QE 2 18 ILE MD 5.000 . 5.000 3.593 2.128 5.006 0.006 8 0 "[ . 1 . 2 . 3 .]" 1
257 1 28 GLN QE 2 18 ILE MG 3.500 . 3.500 2.861 1.796 3.501 0.001 35 0 "[ . 1 . 2 . 3 .]" 1
258 1 28 GLN QG 2 18 ILE MD 5.000 . 5.000 3.218 2.262 4.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 29 GLU H 1 30 GLU H 2.800 . 2.800 2.547 2.377 2.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 29 GLU H 2 18 ILE MD 5.000 . 5.000 4.969 4.778 5.014 0.014 33 0 "[ . 1 . 2 . 3 .]" 1
261 1 29 GLU HA 1 30 GLU H 3.500 . 3.500 3.518 3.505 3.524 0.024 24 0 "[ . 1 . 2 . 3 .]" 1
262 1 29 GLU HA 1 32 HIS H 3.500 . 3.500 3.432 3.285 3.532 0.032 34 0 "[ . 1 . 2 . 3 .]" 1
263 1 29 GLU HA 1 32 HIS QB 5.000 . 5.000 2.570 2.325 2.715 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 29 GLU HA 1 33 GLN H 5.000 . 5.000 4.713 4.185 5.010 0.010 20 0 "[ . 1 . 2 . 3 .]" 1
265 1 30 GLU H 1 31 LYS H 2.800 . 2.800 2.660 2.546 2.733 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 30 GLU H 2 18 ILE MD 5.000 . 5.000 4.618 4.398 5.011 0.011 34 0 "[ . 1 . 2 . 3 .]" 1
267 1 30 GLU HA 1 32 HIS H 5.000 . 5.000 4.163 4.016 4.302 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 30 GLU HA 1 33 GLN H 3.500 . 3.500 3.529 3.507 3.620 0.120 34 0 "[ . 1 . 2 . 3 .]" 1
269 1 31 LYS H 1 32 HIS H 2.800 . 2.800 2.604 2.542 2.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
270 1 31 LYS H 1 33 GLN H 5.000 . 5.000 4.189 4.073 4.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 31 LYS H 2 14 VAL QG 5.000 . 5.000 3.229 2.832 4.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 31 LYS HA 1 32 HIS H 3.500 . 3.500 3.516 3.498 3.527 0.027 29 0 "[ . 1 . 2 . 3 .]" 1
273 1 31 LYS HA 1 34 LEU H 3.500 . 3.500 3.417 3.254 3.522 0.022 11 0 "[ . 1 . 2 . 3 .]" 1
274 1 31 LYS HA 1 34 LEU QD 5.000 . 5.000 2.751 2.211 3.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 31 LYS HA 1 35 PHE H 5.000 . 5.000 4.863 4.252 5.042 0.042 34 0 "[ . 1 . 2 . 3 .]" 1
276 1 31 LYS HA 1 35 PHE QD 5.000 . 5.000 4.776 4.489 5.016 0.016 9 0 "[ . 1 . 2 . 3 .]" 1
277 1 31 LYS QB 2 11 MET QG 5.000 . 5.000 5.016 4.938 5.035 0.035 16 0 "[ . 1 . 2 . 3 .]" 1
278 1 31 LYS QB 2 14 VAL QG 3.500 . 3.500 2.161 1.785 2.544 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 31 LYS QD 2 14 VAL QG 2.800 . 2.800 2.654 1.843 2.841 0.041 35 0 "[ . 1 . 2 . 3 .]" 1
280 1 31 LYS QE 2 14 VAL QG 5.000 . 5.000 4.008 1.831 4.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
281 1 32 HIS H 1 32 HIS QB 3.500 . 3.500 2.163 2.043 2.186 . 0 0 "[ . 1 . 2 . 3 .]" 1
282 1 32 HIS H 1 33 GLN H 2.800 . 2.800 2.610 2.541 2.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
283 1 32 HIS H 1 34 LEU H 5.000 . 5.000 4.219 4.021 4.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
284 1 32 HIS H 2 14 VAL QG 5.000 . 5.000 4.762 4.384 5.019 0.019 34 0 "[ . 1 . 2 . 3 .]" 1
285 1 32 HIS H 2 18 ILE MD 5.000 . 5.000 4.981 4.776 5.025 0.025 1 0 "[ . 1 . 2 . 3 .]" 1
286 1 32 HIS HA 1 33 GLN H 3.500 . 3.500 3.526 3.517 3.547 0.047 26 0 "[ . 1 . 2 . 3 .]" 1
287 1 32 HIS HA 1 34 LEU H 5.000 . 5.000 4.253 4.037 4.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 32 HIS HA 1 35 PHE H 3.500 . 3.500 3.421 3.149 3.512 0.012 10 0 "[ . 1 . 2 . 3 .]" 1
289 1 32 HIS HA 1 35 PHE QB 5.000 . 5.000 2.728 2.291 3.060 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 32 HIS HA 1 36 LEU H 5.000 . 5.000 4.881 4.496 5.020 0.020 1 0 "[ . 1 . 2 . 3 .]" 1
291 1 32 HIS QB 1 33 GLN H 5.000 . 5.000 2.676 2.506 2.787 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 32 HIS HD2 1 36 LEU QD 5.000 . 5.000 3.755 1.913 5.004 0.004 20 0 "[ . 1 . 2 . 3 .]" 1
293 1 32 HIS HE1 1 36 LEU QD 5.000 . 5.000 4.152 2.303 5.008 0.008 7 0 "[ . 1 . 2 . 3 .]" 1
294 1 33 GLN H 1 33 GLN QG 5.000 . 5.000 3.460 1.983 4.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
295 1 33 GLN H 1 34 LEU H 2.800 . 2.800 2.624 2.507 2.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
296 1 33 GLN HA 1 36 LEU H 3.500 . 3.500 3.511 3.480 3.527 0.027 23 0 "[ . 1 . 2 . 3 .]" 1
297 1 33 GLN HA 1 36 LEU QD 5.000 . 5.000 2.837 1.981 3.791 . 0 0 "[ . 1 . 2 . 3 .]" 1
298 1 33 GLN QE 1 36 LEU H 5.000 . 5.000 4.736 3.875 5.009 0.009 20 0 "[ . 1 . 2 . 3 .]" 1
299 1 33 GLN QG 1 36 LEU QD 5.000 . 5.000 3.790 2.883 4.530 . 0 0 "[ . 1 . 2 . 3 .]" 1
300 1 34 LEU H 1 34 LEU QB 3.500 . 3.500 2.001 1.952 2.119 . 0 0 "[ . 1 . 2 . 3 .]" 1
301 1 34 LEU H 1 34 LEU QD 3.500 . 3.500 3.216 2.818 3.517 0.017 18 0 "[ . 1 . 2 . 3 .]" 1
302 1 34 LEU H 1 35 PHE H 2.800 . 2.800 2.623 2.531 2.715 . 0 0 "[ . 1 . 2 . 3 .]" 1
303 1 34 LEU H 1 36 LEU H 5.000 . 5.000 4.225 4.056 4.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
304 1 34 LEU H 1 37 GLN QE 5.000 . 5.000 4.952 4.511 5.018 0.018 10 0 "[ . 1 . 2 . 3 .]" 1
305 1 34 LEU HA 1 37 GLN H 3.500 . 3.500 3.345 3.140 3.511 0.011 5 0 "[ . 1 . 2 . 3 .]" 1
306 1 34 LEU QB 2 11 MET H 5.000 . 5.000 4.931 4.705 5.053 0.053 34 0 "[ . 1 . 2 . 3 .]" 1
307 1 34 LEU QD 1 37 GLN H 5.000 . 5.000 4.595 4.104 4.938 . 0 0 "[ . 1 . 2 . 3 .]" 1
308 1 34 LEU QD 1 37 GLN QB 5.000 . 5.000 3.613 2.879 4.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 34 LEU QD 1 37 GLN QE 5.000 . 5.000 3.004 1.945 4.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
310 1 34 LEU QD 2 10 ASN H 5.000 . 5.000 4.075 3.463 4.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 34 LEU QD 2 10 ASN HA 5.000 . 5.000 4.054 3.304 4.585 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 34 LEU QD 2 10 ASN QB 3.500 . 3.500 2.248 1.667 2.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
313 1 34 LEU QD 2 10 ASN QD 3.500 . 3.500 3.454 3.076 3.513 0.013 33 0 "[ . 1 . 2 . 3 .]" 1
314 1 34 LEU QD 2 11 MET H 5.000 . 5.000 3.046 2.603 3.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 34 LEU QD 2 11 MET HA 2.800 . 2.800 2.172 1.928 2.804 0.004 31 0 "[ . 1 . 2 . 3 .]" 1
316 1 34 LEU QD 2 11 MET QB 3.500 . 3.500 3.123 2.743 3.508 0.008 34 0 "[ . 1 . 2 . 3 .]" 1
317 1 34 LEU QD 2 11 MET ME 2.800 . 2.800 2.788 2.522 2.819 0.019 25 0 "[ . 1 . 2 . 3 .]" 1
318 1 34 LEU QD 2 11 MET QG 2.800 . 2.800 1.870 1.668 2.161 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 34 LEU QD 2 12 ASP H 5.000 . 5.000 4.559 4.162 4.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 34 LEU QD 2 14 VAL HA 5.000 . 5.000 4.829 4.599 5.016 0.016 31 0 "[ . 1 . 2 . 3 .]" 1
321 1 34 LEU QD 2 14 VAL QG 3.500 . 3.500 1.905 1.754 2.136 . 0 0 "[ . 1 . 2 . 3 .]" 1
322 1 35 PHE H 1 35 PHE QB 3.500 . 3.500 2.028 1.959 2.099 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 35 PHE H 1 35 PHE QD 5.000 . 5.000 2.727 2.150 3.735 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 35 PHE H 1 36 LEU H 2.800 . 2.800 2.663 2.556 2.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
325 1 35 PHE H 1 37 GLN H 5.000 . 5.000 4.057 3.818 4.220 . 0 0 "[ . 1 . 2 . 3 .]" 1
326 1 35 PHE HA 1 35 PHE QD 3.500 . 3.500 2.823 2.412 3.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
327 1 35 PHE HA 1 36 LEU H 3.500 . 3.500 3.536 3.513 3.569 0.069 10 0 "[ . 1 . 2 . 3 .]" 1
328 1 35 PHE HA 1 38 LEU H 3.500 . 3.500 3.363 3.036 3.540 0.040 10 0 "[ . 1 . 2 . 3 .]" 1
329 1 35 PHE HA 1 38 LEU QD 5.000 . 5.000 3.133 1.992 3.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 35 PHE HA 2 11 MET ME 3.500 . 3.500 1.937 1.832 2.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 35 PHE QB 1 36 LEU H 5.000 . 5.000 2.701 2.426 2.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
332 1 35 PHE QB 1 38 LEU QD 5.000 . 5.000 4.432 3.361 5.024 0.024 8 0 "[ . 1 . 2 . 3 .]" 1
333 1 35 PHE QB 2 11 MET ME 3.500 . 3.500 3.388 3.024 3.526 0.026 26 0 "[ . 1 . 2 . 3 .]" 1
334 1 35 PHE QD 1 38 LEU QD 5.000 . 5.000 3.570 2.396 4.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
335 1 35 PHE QE 1 38 LEU QD 5.000 . 5.000 3.857 2.676 5.007 0.007 24 0 "[ . 1 . 2 . 3 .]" 1
336 1 36 LEU H 1 36 LEU QD 5.000 . 5.000 2.809 2.022 3.531 . 0 0 "[ . 1 . 2 . 3 .]" 1
337 1 36 LEU H 1 37 GLN H 2.800 . 2.800 2.550 2.412 2.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
338 1 36 LEU H 1 38 LEU H 5.000 . 5.000 3.957 3.807 4.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
339 1 36 LEU HA 1 37 GLN H 3.500 . 3.500 3.517 3.509 3.525 0.025 31 0 "[ . 1 . 2 . 3 .]" 1
340 1 36 LEU HA 1 38 LEU H 5.000 . 5.000 4.134 3.874 4.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 36 LEU QD 1 37 GLN H 5.000 . 5.000 4.065 3.834 4.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 37 GLN H 1 38 LEU H 2.800 . 2.800 2.417 2.161 2.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
343 1 37 GLN H 2 7 LEU QD 5.000 . 5.000 4.046 3.722 4.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 37 GLN HA 1 38 LEU H 3.500 . 3.500 3.354 2.998 3.513 0.013 8 0 "[ . 1 . 2 . 3 .]" 1
345 1 37 GLN HA 2 7 LEU QD 5.000 . 5.000 3.943 3.372 4.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 37 GLN QB 2 2 LEU QD 5.000 . 5.000 4.638 3.739 5.023 0.023 19 0 "[ . 1 . 2 . 3 .]" 1
347 1 37 GLN QE 2 2 LEU QD 5.000 . 5.000 4.862 4.023 5.022 0.022 23 0 "[ . 1 . 2 . 3 .]" 1
348 1 37 GLN QE 2 7 LEU QD 3.500 . 3.500 3.122 2.459 3.506 0.006 25 0 "[ . 1 . 2 . 3 .]" 1
349 1 38 LEU H 1 38 LEU QD 5.000 . 5.000 3.526 3.152 3.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
350 1 38 LEU H 2 7 LEU QD 5.000 . 5.000 3.311 2.801 4.007 . 0 0 "[ . 1 . 2 . 3 .]" 1
351 1 38 LEU HA 2 7 LEU QB 5.000 . 5.000 3.301 2.519 3.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
352 1 38 LEU HA 2 7 LEU QD 3.500 . 3.500 1.959 1.743 2.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
353 1 38 LEU HA 2 11 MET QG 5.000 . 5.000 5.028 5.006 5.051 0.051 17 0 "[ . 1 . 2 . 3 .]" 1
354 1 38 LEU QB 2 7 LEU QD 5.000 . 5.000 3.232 2.378 3.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
355 1 38 LEU QD 2 4 LYS H 6.000 . 6.000 4.950 4.584 5.283 . 0 0 "[ . 1 . 2 . 3 .]" 1
356 1 38 LEU QD 2 4 LYS QB 5.000 . 5.000 4.963 4.640 5.023 0.023 17 0 "[ . 1 . 2 . 3 .]" 1
357 1 38 LEU QD 2 4 LYS QD 3.500 . 3.500 3.068 2.634 3.507 0.007 29 0 "[ . 1 . 2 . 3 .]" 1
358 1 38 LEU QD 2 4 LYS QE 3.500 . 3.500 3.245 2.489 3.512 0.012 32 0 "[ . 1 . 2 . 3 .]" 1
359 1 38 LEU QD 2 7 LEU QB 2.800 . 2.800 2.634 2.045 2.826 0.026 12 0 "[ . 1 . 2 . 3 .]" 1
360 1 38 LEU QD 2 7 LEU QD 2.800 . 2.800 2.269 1.759 2.816 0.016 14 0 "[ . 1 . 2 . 3 .]" 1
361 1 38 LEU QD 2 8 ILE H 5.000 . 5.000 3.903 3.478 4.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 38 LEU QD 2 8 ILE HA 5.000 . 5.000 3.121 2.257 3.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
363 1 38 LEU QD 2 8 ILE QG 3.500 . 3.500 2.853 1.917 3.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 38 LEU QD 2 11 MET ME 3.500 . 3.500 1.771 1.650 1.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 2 1 GLY QA 2 2 LEU H 2.800 . 2.800 2.222 2.122 2.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
366 2 1 GLY QA 2 2 LEU HA 5.000 . 5.000 4.030 3.991 4.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
367 2 1 GLY QA 2 2 LEU QB 5.000 . 5.000 4.172 3.867 4.439 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 2 1 GLY QA 2 2 LEU QD 3.500 . 3.500 3.040 2.286 3.645 0.145 25 0 "[ . 1 . 2 . 3 .]" 1
369 2 1 GLY QA 2 4 LYS QD 5.000 . 5.000 4.720 3.542 5.010 0.010 3 0 "[ . 1 . 2 . 3 .]" 1
370 2 2 LEU H 2 2 LEU QD 2.800 . 2.800 2.572 1.922 3.003 0.203 33 0 "[ . 1 . 2 . 3 .]" 1
371 2 2 LEU H 2 3 SER H 3.500 . 3.500 2.490 1.967 3.202 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 2 2 LEU H 2 7 LEU QD 3.500 . 3.500 2.943 1.975 3.528 0.028 3 0 "[ . 1 . 2 . 3 .]" 1
373 2 2 LEU HA 2 3 SER H 5.000 . 5.000 3.578 3.515 3.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 2 2 LEU QB 2 3 SER H 3.500 . 3.500 2.702 1.971 3.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
375 2 2 LEU QD 2 3 SER H 5.000 . 5.000 2.193 1.840 2.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
376 2 2 LEU QD 2 3 SER HA 5.000 . 5.000 4.180 3.459 4.984 . 0 0 "[ . 1 . 2 . 3 .]" 1
377 2 2 LEU QD 2 3 SER QB 5.000 . 5.000 2.775 1.766 4.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
378 2 2 LEU QD 2 5 GLU HA 5.000 . 5.000 5.067 5.023 5.162 0.162 21 0 "[ . 1 . 2 . 3 .]" 1
379 2 2 LEU QD 2 6 GLU H 3.500 . 3.500 2.542 2.250 2.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
380 2 2 LEU QD 2 6 GLU HA 5.000 . 5.000 3.620 3.412 3.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
381 2 2 LEU QD 2 10 ASN H 5.000 . 5.000 4.972 4.774 5.037 0.037 14 0 "[ . 1 . 2 . 3 .]" 1
382 2 2 LEU QD 2 10 ASN QB 5.000 . 5.000 4.459 4.247 4.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 2 2 LEU QD 2 10 ASN QD 3.500 . 3.500 3.132 2.825 3.461 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 2 3 SER H 2 3 SER QB 3.500 . 3.500 2.696 2.399 3.129 . 0 0 "[ . 1 . 2 . 3 .]" 1
385 2 3 SER H 2 4 LYS H 3.500 . 3.500 2.075 1.839 2.383 . 0 0 "[ . 1 . 2 . 3 .]" 1
386 2 3 SER H 2 6 GLU H 5.000 . 5.000 3.615 2.903 4.091 . 0 0 "[ . 1 . 2 . 3 .]" 1
387 2 3 SER H 2 7 LEU H 5.000 . 5.000 3.683 3.600 3.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 2 3 SER HA 2 4 LYS H 3.500 . 3.500 3.128 2.909 3.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 2 3 SER HA 2 4 LYS QB 5.000 . 5.000 3.838 3.796 3.877 . 0 0 "[ . 1 . 2 . 3 .]" 1
390 2 3 SER HA 2 5 GLU H 5.000 . 5.000 4.391 4.339 4.416 . 0 0 "[ . 1 . 2 . 3 .]" 1
391 2 3 SER HA 2 6 GLU H 5.000 . 5.000 5.078 5.029 5.150 0.150 24 0 "[ . 1 . 2 . 3 .]" 1
392 2 3 SER QB 2 4 LYS H 5.000 . 5.000 3.716 3.569 4.051 . 0 0 "[ . 1 . 2 . 3 .]" 1
393 2 3 SER QB 2 5 GLU H 5.000 . 5.000 3.169 2.799 4.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 2 3 SER QB 2 6 GLU H 5.000 . 5.000 2.740 2.285 4.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
395 2 4 LYS H 2 5 GLU H 2.800 . 2.800 2.812 2.767 2.855 0.055 8 0 "[ . 1 . 2 . 3 .]" 1
396 2 4 LYS H 2 6 GLU H 5.000 . 5.000 4.344 4.251 4.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 2 4 LYS H 2 7 LEU H 5.000 . 5.000 4.248 4.106 4.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
398 2 4 LYS HA 2 5 GLU H 3.500 . 3.500 3.038 3.026 3.047 . 0 0 "[ . 1 . 2 . 3 .]" 1
399 2 4 LYS HA 2 6 GLU H 5.000 . 5.000 5.014 4.944 5.056 0.056 29 0 "[ . 1 . 2 . 3 .]" 1
400 2 4 LYS QB 2 8 ILE MD 5.000 . 5.000 4.515 3.761 4.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
401 2 4 LYS QD 2 8 ILE MD 2.800 . 2.800 2.794 2.423 2.822 0.022 26 0 "[ . 1 . 2 . 3 .]" 1
402 2 4 LYS QE 2 8 ILE MD 3.500 . 3.500 3.432 2.779 3.518 0.018 23 0 "[ . 1 . 2 . 3 .]" 1
403 2 4 LYS QG 2 8 ILE MD 3.500 . 3.500 3.396 2.974 3.523 0.023 14 0 "[ . 1 . 2 . 3 .]" 1
404 2 4 LYS QG 2 8 ILE MG 5.000 . 5.000 4.962 4.697 5.024 0.024 15 0 "[ . 1 . 2 . 3 .]" 1
405 2 5 GLU H 2 6 GLU H 2.800 . 2.800 2.013 1.977 2.041 . 0 0 "[ . 1 . 2 . 3 .]" 1
406 2 5 GLU H 2 8 ILE MD 6.000 . 6.000 4.208 2.669 4.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
407 2 5 GLU H 2 8 ILE MG 6.000 . 6.000 5.576 5.400 5.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
408 2 5 GLU HA 2 8 ILE H 3.500 . 3.500 3.399 3.139 3.544 0.044 33 0 "[ . 1 . 2 . 3 .]" 1
409 2 5 GLU HA 2 8 ILE MD 5.000 . 5.000 3.830 2.414 4.453 . 0 0 "[ . 1 . 2 . 3 .]" 1
410 2 5 GLU HA 2 8 ILE MG 5.000 . 5.000 3.706 3.376 3.923 . 0 0 "[ . 1 . 2 . 3 .]" 1
411 2 6 GLU H 2 6 GLU HA 2.800 . 2.800 2.887 2.858 2.907 0.107 34 0 "[ . 1 . 2 . 3 .]" 1
412 2 6 GLU H 2 7 LEU H 2.800 . 2.800 2.537 2.444 2.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 2 6 GLU H 2 8 ILE H 5.000 . 5.000 3.868 3.780 4.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
414 2 6 GLU HA 2 7 LEU H 3.500 . 3.500 3.520 3.508 3.548 0.048 10 0 "[ . 1 . 2 . 3 .]" 1
415 2 6 GLU HA 2 8 ILE H 5.000 . 5.000 4.232 4.129 4.395 . 0 0 "[ . 1 . 2 . 3 .]" 1
416 2 6 GLU HA 2 9 GLN H 3.500 . 3.500 3.555 3.498 3.601 0.101 22 0 "[ . 1 . 2 . 3 .]" 1
417 2 6 GLU HA 2 10 ASN H 5.000 . 5.000 4.771 4.392 5.004 0.004 13 0 "[ . 1 . 2 . 3 .]" 1
418 2 6 GLU HA 2 10 ASN QD 5.000 . 5.000 4.682 4.232 5.001 0.001 7 0 "[ . 1 . 2 . 3 .]" 1
419 2 7 LEU H 2 7 LEU QD 5.000 . 5.000 3.612 3.179 3.721 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 2 7 LEU H 2 8 ILE H 2.800 . 2.800 2.398 2.290 2.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
421 2 7 LEU H 2 9 GLN H 5.000 . 5.000 3.975 3.782 4.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
422 2 7 LEU HA 2 7 LEU QD 2.800 . 2.800 2.371 1.773 2.809 0.009 33 0 "[ . 1 . 2 . 3 .]" 1
423 2 7 LEU HA 2 8 ILE H 3.500 . 3.500 3.514 3.508 3.523 0.023 33 0 "[ . 1 . 2 . 3 .]" 1
424 2 7 LEU HA 2 9 GLN H 5.000 . 5.000 4.147 4.043 4.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 2 7 LEU HA 2 10 ASN H 3.500 . 3.500 3.365 3.209 3.519 0.019 3 0 "[ . 1 . 2 . 3 .]" 1
426 2 7 LEU HA 2 11 MET H 5.000 . 5.000 4.516 4.181 4.916 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 2 7 LEU QD 2 8 ILE H 5.000 . 5.000 3.856 3.510 4.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
428 2 7 LEU QD 2 10 ASN QB 5.000 . 5.000 2.873 2.513 3.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 2 8 ILE H 2 9 GLN H 2.800 . 2.800 2.515 2.394 2.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
430 2 8 ILE H 2 10 ASN H 5.000 . 5.000 4.014 3.888 4.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
431 2 8 ILE HA 2 8 ILE MD 3.500 . 3.500 2.206 1.950 2.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
432 2 8 ILE HA 2 8 ILE MG 3.500 . 3.500 2.366 2.266 2.551 . 0 0 "[ . 1 . 2 . 3 .]" 1
433 2 8 ILE HA 2 9 GLN H 3.500 . 3.500 3.528 3.524 3.535 0.035 25 0 "[ . 1 . 2 . 3 .]" 1
434 2 8 ILE HA 2 10 ASN H 5.000 . 5.000 4.169 4.036 4.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
435 2 8 ILE HA 2 11 MET H 3.500 . 3.500 3.390 3.074 3.541 0.041 32 0 "[ . 1 . 2 . 3 .]" 1
436 2 8 ILE HA 2 12 ASP H 5.000 . 5.000 4.528 3.995 4.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
437 2 8 ILE MD 2 8 ILE MG 3.500 . 3.500 2.261 1.734 3.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
438 2 8 ILE MD 2 11 MET H 5.000 . 5.000 4.927 4.758 5.085 0.085 25 0 "[ . 1 . 2 . 3 .]" 1
439 2 8 ILE MG 2 9 GLN H 5.000 . 5.000 3.591 3.319 3.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 2 8 ILE MG 2 11 MET ME 5.000 . 5.000 4.924 4.191 5.029 0.029 1 0 "[ . 1 . 2 . 3 .]" 1
441 2 8 ILE MG 2 12 ASP H 5.000 . 5.000 4.418 4.017 4.774 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 2 8 ILE MG 2 12 ASP QB 5.000 . 5.000 4.045 3.387 4.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
443 2 9 GLN H 2 9 GLN QB 3.500 . 3.500 2.079 2.005 2.228 . 0 0 "[ . 1 . 2 . 3 .]" 1
444 2 9 GLN H 2 9 GLN QG 5.000 . 5.000 3.479 2.328 4.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
445 2 9 GLN H 2 10 ASN H 2.800 . 2.800 2.525 2.456 2.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
446 2 9 GLN H 2 11 MET H 5.000 . 5.000 4.048 3.867 4.318 . 0 0 "[ . 1 . 2 . 3 .]" 1
447 2 9 GLN HA 2 10 ASN H 3.500 . 3.500 3.520 3.514 3.527 0.027 34 0 "[ . 1 . 2 . 3 .]" 1
448 2 9 GLN HA 2 12 ASP H 3.500 . 3.500 3.507 3.355 3.543 0.043 17 0 "[ . 1 . 2 . 3 .]" 1
449 2 9 GLN HA 2 12 ASP QB 5.000 . 5.000 2.827 2.541 3.058 . 0 0 "[ . 1 . 2 . 3 .]" 1
450 2 9 GLN HA 2 13 ARG H 5.000 . 5.000 4.589 4.177 4.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
451 2 10 ASN H 2 11 MET H 2.800 . 2.800 2.495 2.381 2.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
452 2 10 ASN H 2 12 ASP H 5.000 . 5.000 3.999 3.880 4.124 . 0 0 "[ . 1 . 2 . 3 .]" 1
453 2 10 ASN HA 2 11 MET H 3.500 . 3.500 3.529 3.516 3.562 0.062 34 0 "[ . 1 . 2 . 3 .]" 1
454 2 10 ASN HA 2 12 ASP H 5.000 . 5.000 4.174 4.048 4.334 . 0 0 "[ . 1 . 2 . 3 .]" 1
455 2 10 ASN HA 2 13 ARG H 3.500 . 3.500 3.422 3.275 3.537 0.037 14 0 "[ . 1 . 2 . 3 .]" 1
456 2 10 ASN HA 2 13 ARG QD 5.000 . 5.000 4.576 3.218 5.012 0.012 8 0 "[ . 1 . 2 . 3 .]" 1
457 2 10 ASN HA 2 14 VAL H 5.000 . 5.000 4.398 4.030 4.751 . 0 0 "[ . 1 . 2 . 3 .]" 1
458 2 10 ASN HA 2 14 VAL QG 5.000 . 5.000 3.881 3.276 4.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
459 2 10 ASN QD 2 11 MET H 5.000 . 5.000 4.760 4.563 4.963 . 0 0 "[ . 1 . 2 . 3 .]" 1
460 2 11 MET H 2 12 ASP H 2.800 . 2.800 2.550 2.456 2.807 0.007 34 0 "[ . 1 . 2 . 3 .]" 1
461 2 11 MET H 2 13 ARG H 5.000 . 5.000 4.068 3.950 4.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
462 2 11 MET HA 2 12 ASP H 3.500 . 3.500 3.521 3.501 3.539 0.039 29 0 "[ . 1 . 2 . 3 .]" 1
463 2 11 MET HA 2 14 VAL H 3.500 . 3.500 3.490 3.279 3.580 0.080 30 0 "[ . 1 . 2 . 3 .]" 1
464 2 11 MET HA 2 14 VAL QG 3.500 . 3.500 2.707 1.895 3.169 . 0 0 "[ . 1 . 2 . 3 .]" 1
465 2 11 MET HA 2 15 ASP H 5.000 . 5.000 4.417 3.817 4.838 . 0 0 "[ . 1 . 2 . 3 .]" 1
466 2 12 ASP H 2 12 ASP QB 2.800 . 2.800 2.106 2.020 2.184 . 0 0 "[ . 1 . 2 . 3 .]" 1
467 2 12 ASP H 2 13 ARG H 2.800 . 2.800 2.492 2.365 2.721 . 0 0 "[ . 1 . 2 . 3 .]" 1
468 2 12 ASP H 2 14 VAL H 5.000 . 5.000 4.006 3.727 4.293 . 0 0 "[ . 1 . 2 . 3 .]" 1
469 2 12 ASP HA 2 13 ARG H 3.500 . 3.500 3.523 3.506 3.568 0.068 34 0 "[ . 1 . 2 . 3 .]" 1
470 2 12 ASP HA 2 15 ASP H 3.500 . 3.500 3.509 3.451 3.538 0.038 30 0 "[ . 1 . 2 . 3 .]" 1
471 2 12 ASP HA 2 15 ASP QB 5.000 . 5.000 2.823 2.570 3.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
472 2 12 ASP HA 2 16 ARG H 5.000 . 5.000 4.564 4.227 4.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
473 2 12 ASP QB 2 13 ARG H 5.000 . 5.000 2.718 2.189 2.857 . 0 0 "[ . 1 . 2 . 3 .]" 1
474 2 12 ASP QB 2 15 ASP H 5.000 . 5.000 4.951 4.851 5.017 0.017 3 0 "[ . 1 . 2 . 3 .]" 1
475 2 13 ARG H 2 13 ARG QB 3.500 . 3.500 2.089 1.972 2.240 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 2 13 ARG H 2 14 VAL H 2.800 . 2.800 2.485 2.426 2.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
477 2 13 ARG H 2 15 ASP H 5.000 . 5.000 3.964 3.789 4.136 . 0 0 "[ . 1 . 2 . 3 .]" 1
478 2 13 ARG HA 2 13 ARG QD 3.500 . 3.500 3.322 2.437 3.517 0.017 25 0 "[ . 1 . 2 . 3 .]" 1
479 2 13 ARG HA 2 14 VAL H 3.500 . 3.500 3.526 3.513 3.558 0.058 19 0 "[ . 1 . 2 . 3 .]" 1
480 2 13 ARG HA 2 14 VAL QG 5.000 . 5.000 4.595 4.329 4.710 . 0 0 "[ . 1 . 2 . 3 .]" 1
481 2 13 ARG HA 2 16 ARG H 3.500 . 3.500 3.503 3.384 3.570 0.070 14 0 "[ . 1 . 2 . 3 .]" 1
482 2 13 ARG QB 2 13 ARG QD 3.500 . 3.500 2.188 1.998 2.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
483 2 13 ARG HE 2 14 VAL H 5.000 . 5.000 4.870 4.139 5.018 0.018 19 0 "[ . 1 . 2 . 3 .]" 1
484 2 14 VAL H 2 14 VAL QG 2.800 . 2.800 2.096 1.833 2.206 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 2 14 VAL H 2 15 ASP H 2.800 . 2.800 2.495 2.415 2.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
486 2 14 VAL H 2 16 ARG H 5.000 . 5.000 4.048 3.908 4.319 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 2 14 VAL HA 2 14 VAL QG 2.800 . 2.800 2.122 2.032 2.330 . 0 0 "[ . 1 . 2 . 3 .]" 1
488 2 14 VAL HA 2 15 ASP H 3.500 . 3.500 3.520 3.503 3.532 0.032 34 0 "[ . 1 . 2 . 3 .]" 1
489 2 14 VAL HA 2 16 ARG H 5.000 . 5.000 4.213 4.079 4.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 2 14 VAL HA 2 17 GLU H 3.500 . 3.500 3.460 3.299 3.531 0.031 34 0 "[ . 1 . 2 . 3 .]" 1
491 2 14 VAL HA 2 18 ILE H 5.000 . 5.000 4.534 4.127 4.956 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 2 14 VAL QG 2 15 ASP H 3.500 . 3.500 3.230 1.991 3.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
493 2 15 ASP H 2 15 ASP QB 3.500 . 3.500 2.152 2.015 2.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 2 15 ASP H 2 16 ARG H 2.800 . 2.800 2.513 2.376 2.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 2 15 ASP H 2 17 GLU H 5.000 . 5.000 4.019 3.818 4.121 . 0 0 "[ . 1 . 2 . 3 .]" 1
496 2 15 ASP HA 2 16 ARG H 3.500 . 3.500 3.523 3.501 3.558 0.058 14 0 "[ . 1 . 2 . 3 .]" 1
497 2 15 ASP HA 2 18 ILE H 3.500 . 3.500 3.505 3.337 3.552 0.052 34 0 "[ . 1 . 2 . 3 .]" 1
498 2 15 ASP HA 2 18 ILE MD 5.000 . 5.000 2.378 2.024 3.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
499 2 15 ASP HA 2 18 ILE MG 5.000 . 5.000 4.275 4.089 4.754 . 0 0 "[ . 1 . 2 . 3 .]" 1
500 2 15 ASP HA 2 19 THR H 5.000 . 5.000 4.512 3.987 4.857 . 0 0 "[ . 1 . 2 . 3 .]" 1
501 2 15 ASP QB 2 16 ARG H 3.500 . 3.500 2.701 2.449 2.905 . 0 0 "[ . 1 . 2 . 3 .]" 1
502 2 16 ARG H 2 16 ARG QD 3.500 . 3.500 3.350 2.203 3.611 0.111 31 0 "[ . 1 . 2 . 3 .]" 1
503 2 16 ARG H 2 17 GLU H 2.800 . 2.800 2.509 2.382 2.674 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 2 16 ARG H 2 18 ILE H 5.000 . 5.000 4.127 3.977 4.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 2 16 ARG HA 2 19 THR H 3.500 . 3.500 3.486 3.392 3.522 0.022 12 0 "[ . 1 . 2 . 3 .]" 1
506 2 16 ARG HA 2 19 THR HB 3.500 . 3.500 3.101 2.456 3.512 0.012 30 0 "[ . 1 . 2 . 3 .]" 1
507 2 16 ARG HA 2 20 MET H 5.000 . 5.000 4.589 4.177 5.002 0.002 17 0 "[ . 1 . 2 . 3 .]" 1
508 2 17 GLU H 2 18 ILE H 2.800 . 2.800 2.524 2.431 2.662 . 0 0 "[ . 1 . 2 . 3 .]" 1
509 2 17 GLU H 2 19 THR H 5.000 . 5.000 3.940 3.756 4.080 . 0 0 "[ . 1 . 2 . 3 .]" 1
510 2 17 GLU HA 2 18 ILE H 3.500 . 3.500 3.539 3.518 3.569 0.069 34 0 "[ . 1 . 2 . 3 .]" 1
511 2 17 GLU HA 2 20 MET H 3.500 . 3.500 3.506 3.427 3.544 0.044 34 0 "[ . 1 . 2 . 3 .]" 1
512 2 17 GLU HA 2 20 MET QB 3.500 . 3.500 2.889 2.567 3.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
513 2 17 GLU HA 2 21 VAL H 5.000 . 5.000 4.467 4.089 4.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 2 17 GLU QB 2 20 MET H 5.000 . 5.000 5.004 4.940 5.019 0.019 33 0 "[ . 1 . 2 . 3 .]" 1
515 2 17 GLU QB 2 21 VAL QG 5.000 . 5.000 4.229 3.639 4.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
516 2 17 GLU QG 2 20 MET H 5.000 . 5.000 4.848 4.580 5.003 0.003 33 0 "[ . 1 . 2 . 3 .]" 1
517 2 17 GLU QG 2 21 VAL QG 3.500 . 3.500 3.108 2.704 3.505 0.005 32 0 "[ . 1 . 2 . 3 .]" 1
518 2 18 ILE H 2 18 ILE MD 5.000 . 5.000 3.343 3.192 3.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
519 2 18 ILE H 2 19 THR H 2.800 . 2.800 2.530 2.451 2.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
520 2 18 ILE H 2 20 MET H 5.000 . 5.000 4.124 4.003 4.256 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 2 18 ILE HA 2 18 ILE MG 3.500 . 3.500 2.391 2.287 2.459 . 0 0 "[ . 1 . 2 . 3 .]" 1
522 2 18 ILE HA 2 19 THR H 3.500 . 3.500 3.518 3.512 3.528 0.028 18 0 "[ . 1 . 2 . 3 .]" 1
523 2 18 ILE HA 2 21 VAL H 3.500 . 3.500 3.478 3.314 3.522 0.022 11 0 "[ . 1 . 2 . 3 .]" 1
524 2 18 ILE HA 2 21 VAL QG 5.000 . 5.000 3.129 2.829 3.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 2 18 ILE HA 2 22 GLU H 5.000 . 5.000 4.028 3.785 4.323 . 0 0 "[ . 1 . 2 . 3 .]" 1
526 2 19 THR H 2 19 THR HB 3.500 . 3.500 2.609 2.420 2.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
527 2 19 THR H 2 20 MET H 2.800 . 2.800 2.552 2.453 2.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
528 2 19 THR H 2 21 VAL H 5.000 . 5.000 4.207 3.971 4.470 . 0 0 "[ . 1 . 2 . 3 .]" 1
529 2 19 THR HA 2 19 THR MG 2.800 . 2.800 2.251 2.031 2.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 2 19 THR HA 2 22 GLU H 3.500 . 3.500 3.493 3.413 3.534 0.034 3 0 "[ . 1 . 2 . 3 .]" 1
531 2 19 THR HA 2 23 GLN HE21 5.000 . 5.000 5.011 5.002 5.025 0.025 27 0 "[ . 1 . 2 . 3 .]" 1
532 2 19 THR HB 2 20 MET H 5.000 . 5.000 2.694 2.543 2.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
533 2 19 THR HB 2 23 GLN QE 6.000 . 6.000 5.726 5.176 6.014 0.014 30 0 "[ . 1 . 2 . 3 .]" 1
534 2 19 THR MG 2 23 GLN QE 5.000 . 5.000 3.345 2.642 3.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 2 19 THR MG 2 23 GLN QG 5.000 . 5.000 4.224 2.500 5.022 0.022 33 0 "[ . 1 . 2 . 3 .]" 1
536 2 20 MET H 2 21 VAL H 2.800 . 2.800 2.605 2.468 2.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
537 2 20 MET H 2 22 GLU H 5.000 . 5.000 3.846 3.762 3.967 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 2 20 MET HA 2 21 VAL QG 5.000 . 5.000 4.627 4.572 4.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
539 2 20 MET HA 2 23 GLN H 3.500 . 3.500 3.518 3.500 3.545 0.045 33 0 "[ . 1 . 2 . 3 .]" 1
540 2 20 MET HA 2 23 GLN QB 3.500 . 3.500 2.817 2.605 3.022 . 0 0 "[ . 1 . 2 . 3 .]" 1
541 2 20 MET HA 2 24 GLN H 5.000 . 5.000 4.709 4.460 5.002 0.002 16 0 "[ . 1 . 2 . 3 .]" 1
542 2 20 MET QB 2 23 GLN H 5.000 . 5.000 4.864 4.772 4.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
543 2 20 MET QB 2 24 GLN QE 5.000 . 5.000 4.871 4.374 5.013 0.013 12 0 "[ . 1 . 2 . 3 .]" 1
544 2 20 MET QG 2 24 GLN QE 5.000 . 5.000 4.280 3.187 5.004 0.004 2 0 "[ . 1 . 2 . 3 .]" 1
545 2 21 VAL H 2 22 GLU H 2.800 . 2.800 2.527 2.458 2.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
546 2 21 VAL H 2 23 GLN H 5.000 . 5.000 4.024 3.948 4.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
547 2 21 VAL HA 2 22 GLU H 3.500 . 3.500 3.522 3.516 3.541 0.041 18 0 "[ . 1 . 2 . 3 .]" 1
548 2 21 VAL HA 2 24 GLN H 3.500 . 3.500 3.494 3.337 3.525 0.025 11 0 "[ . 1 . 2 . 3 .]" 1
549 2 21 VAL QG 2 24 GLN QE 5.000 . 5.000 4.853 4.275 5.010 0.010 33 0 "[ . 1 . 2 . 3 .]" 1
550 2 21 VAL QG 2 25 ILE MG 5.000 . 5.000 4.870 4.531 5.022 0.022 27 0 "[ . 1 . 2 . 3 .]" 1
551 2 21 VAL MG2 2 22 GLU H 5.000 . 5.000 3.837 3.784 3.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
552 2 22 GLU H 2 23 GLN H 2.800 . 2.800 2.515 2.460 2.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
553 2 22 GLU H 2 24 GLN H 5.000 . 5.000 4.069 3.993 4.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
554 2 22 GLU HA 2 23 GLN H 3.500 . 3.500 3.521 3.516 3.538 0.038 16 0 "[ . 1 . 2 . 3 .]" 1
555 2 22 GLU HA 2 25 ILE H 3.500 . 3.500 3.447 3.291 3.514 0.014 3 0 "[ . 1 . 2 . 3 .]" 1
556 2 22 GLU HA 2 25 ILE HB 3.500 . 3.500 2.991 2.599 3.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
557 2 22 GLU HA 2 25 ILE MG 5.000 . 5.000 4.252 3.997 4.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
558 2 22 GLU HA 2 26 SER H 5.000 . 5.000 4.393 4.013 4.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
559 2 23 GLN H 2 24 GLN H 2.800 . 2.800 2.535 2.487 2.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 2 23 GLN H 2 25 ILE H 5.000 . 5.000 4.117 4.041 4.213 . 0 0 "[ . 1 . 2 . 3 .]" 1
561 2 23 GLN HA 2 23 GLN QE 3.500 . 3.500 2.418 1.972 2.974 . 0 0 "[ . 1 . 2 . 3 .]" 1
562 2 23 GLN HA 2 24 GLN H 3.500 . 3.500 3.520 3.505 3.537 0.037 10 0 "[ . 1 . 2 . 3 .]" 1
563 2 23 GLN HA 2 26 SER H 3.500 . 3.500 3.485 3.407 3.519 0.019 14 0 "[ . 1 . 2 . 3 .]" 1
564 2 23 GLN HA 2 26 SER QB 3.500 . 3.500 2.816 2.453 3.505 0.005 34 0 "[ . 1 . 2 . 3 .]" 1
565 2 23 GLN HA 2 27 LYS H 5.000 . 5.000 4.353 4.161 4.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
566 2 23 GLN QE 2 23 GLN QG 2.800 . 2.800 2.502 2.190 2.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
567 2 23 GLN QE 2 27 LYS QG 5.000 . 5.000 5.017 5.004 5.041 0.041 10 0 "[ . 1 . 2 . 3 .]" 1
568 2 24 GLN H 2 25 ILE H 2.800 . 2.800 2.526 2.459 2.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
569 2 24 GLN HA 2 27 LYS H 3.500 . 3.500 3.517 3.478 3.538 0.038 11 0 "[ . 1 . 2 . 3 .]" 1
570 2 24 GLN HA 2 27 LYS QB 3.500 . 3.500 2.853 2.482 3.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
571 2 24 GLN HA 2 28 LEU H 5.000 . 5.000 4.225 4.081 4.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
572 2 24 GLN QE 2 27 LYS QB 5.000 . 5.000 4.683 4.116 5.016 0.016 30 0 "[ . 1 . 2 . 3 .]" 1
573 2 24 GLN QE 2 27 LYS QG 5.000 . 5.000 4.334 3.676 5.001 0.001 12 0 "[ . 1 . 2 . 3 .]" 1
574 2 24 GLN QE 2 28 LEU MD1 6.000 . 6.000 5.648 4.805 6.009 0.009 32 0 "[ . 1 . 2 . 3 .]" 1
575 2 25 ILE H 2 25 ILE MD 5.000 . 5.000 3.358 2.937 3.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
576 2 25 ILE H 2 26 SER H 2.800 . 2.800 2.504 2.407 2.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
577 2 25 ILE H 2 27 LYS H 5.000 . 5.000 4.055 3.789 4.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
578 2 25 ILE HA 2 26 SER H 3.500 . 3.500 3.525 3.514 3.551 0.051 16 0 "[ . 1 . 2 . 3 .]" 1
579 2 25 ILE HA 2 28 LEU H 3.500 . 3.500 3.389 3.228 3.535 0.035 16 0 "[ . 1 . 2 . 3 .]" 1
580 2 25 ILE HA 2 28 LEU QD 5.000 . 5.000 3.308 2.462 3.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
581 2 25 ILE HA 2 29 LYS H 5.000 . 5.000 4.138 3.836 4.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
582 2 25 ILE MD 2 25 ILE MG 3.500 . 3.500 1.840 1.695 2.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
583 2 25 ILE MD 2 26 SER H 5.000 . 5.000 4.588 4.439 4.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
584 2 25 ILE MG 2 26 SER H 5.000 . 5.000 3.649 3.509 3.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
585 2 25 ILE MG 2 28 LEU QD 5.000 . 5.000 4.126 3.824 4.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
586 2 26 SER H 2 26 SER QB 2.800 . 2.800 2.236 1.974 2.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
587 2 26 SER H 2 27 LYS H 2.800 . 2.800 2.545 2.461 2.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
588 2 26 SER HA 2 29 LYS H 3.500 . 3.500 3.515 3.501 3.528 0.028 8 0 "[ . 1 . 2 . 3 .]" 1
589 2 26 SER HA 2 29 LYS QB 3.500 . 3.500 2.718 2.500 2.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
590 2 26 SER HA 2 30 LYS H 5.000 . 5.000 4.392 4.002 4.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
591 2 26 SER HA 2 30 LYS QB 5.000 . 5.000 5.015 4.990 5.031 0.031 27 0 "[ . 1 . 2 . 3 .]" 1
592 2 26 SER QB 2 27 LYS H 3.500 . 3.500 2.804 2.476 3.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
593 2 26 SER QB 2 29 LYS H 5.000 . 5.000 4.879 4.729 4.989 . 0 0 "[ . 1 . 2 . 3 .]" 1
594 2 26 SER QB 2 29 LYS QB 5.000 . 5.000 4.341 4.136 4.551 . 0 0 "[ . 1 . 2 . 3 .]" 1
595 2 26 SER QB 2 30 LYS QB 5.000 . 5.000 4.886 4.741 5.013 0.013 35 0 "[ . 1 . 2 . 3 .]" 1
596 2 27 LYS H 2 28 LEU H 2.800 . 2.800 2.480 2.410 2.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
597 2 27 LYS H 2 29 LYS H 5.000 . 5.000 3.897 3.797 4.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
598 2 27 LYS HA 2 30 LYS H 3.500 . 3.500 3.529 3.506 3.544 0.044 16 0 "[ . 1 . 2 . 3 .]" 1
599 2 27 LYS HA 2 30 LYS QB 3.500 . 3.500 2.947 2.674 3.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
600 2 27 LYS HA 2 31 LYS H 5.000 . 5.000 4.450 4.104 4.842 . 0 0 "[ . 1 . 2 . 3 .]" 1
601 2 28 LEU H 2 28 LEU QD 3.500 . 3.500 3.380 2.605 3.548 0.048 26 0 "[ . 1 . 2 . 3 .]" 1
602 2 28 LEU H 2 29 LYS H 2.800 . 2.800 2.509 2.453 2.567 . 0 0 "[ . 1 . 2 . 3 .]" 1
603 2 28 LEU H 2 30 LYS H 5.000 . 5.000 4.165 4.052 4.323 . 0 0 "[ . 1 . 2 . 3 .]" 1
604 2 28 LEU HA 2 31 LYS H 3.500 . 3.500 3.413 3.271 3.574 0.074 15 0 "[ . 1 . 2 . 3 .]" 1
605 2 28 LEU HA 2 31 LYS QB 3.500 . 3.500 2.747 2.106 3.596 0.096 12 0 "[ . 1 . 2 . 3 .]" 1
606 2 28 LEU HA 2 32 GLN H 5.000 . 5.000 4.528 3.929 4.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
607 2 28 LEU QD 2 29 LYS H 5.000 . 5.000 4.086 3.872 4.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
608 2 28 LEU QD 2 31 LYS QE 5.000 . 5.000 2.341 1.714 3.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
609 2 29 LYS H 2 30 LYS H 2.800 . 2.800 2.550 2.218 2.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
610 2 29 LYS H 2 31 LYS H 5.000 . 5.000 3.919 3.792 4.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
611 2 29 LYS HA 2 32 GLN H 3.500 . 3.500 3.507 3.430 3.541 0.041 15 0 "[ . 1 . 2 . 3 .]" 1
612 2 29 LYS HA 2 32 GLN QB 3.500 . 3.500 2.912 2.696 3.094 . 0 0 "[ . 1 . 2 . 3 .]" 1
613 2 29 LYS HA 2 33 GLN H 5.000 . 5.000 4.957 4.674 5.038 0.038 20 0 "[ . 1 . 2 . 3 .]" 1
614 2 29 LYS QG 2 33 GLN QE 5.000 . 5.000 4.242 2.880 5.012 0.012 26 0 "[ . 1 . 2 . 3 .]" 1
615 2 30 LYS HA 2 33 GLN H 3.500 . 3.500 3.393 3.275 3.508 0.008 32 0 "[ . 1 . 2 . 3 .]" 1
616 2 30 LYS HA 2 33 GLN QB 3.500 . 3.500 2.771 2.612 3.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
617 2 30 LYS HA 2 34 GLN H 5.000 . 5.000 5.016 4.932 5.037 0.037 25 0 "[ . 1 . 2 . 3 .]" 1
618 2 30 LYS QB 2 33 GLN QE 5.000 . 5.000 5.010 4.824 5.050 0.050 26 0 "[ . 1 . 2 . 3 .]" 1
619 2 30 LYS QD 2 33 GLN QE 5.000 . 5.000 3.889 2.857 5.024 0.024 25 0 "[ . 1 . 2 . 3 .]" 1
620 2 30 LYS QE 2 33 GLN QE 5.000 . 5.000 4.277 2.551 5.011 0.011 20 0 "[ . 1 . 2 . 3 .]" 1
621 2 30 LYS QG 2 33 GLN QE 5.000 . 5.000 4.342 3.373 5.007 0.007 12 0 "[ . 1 . 2 . 3 .]" 1
622 2 31 LYS H 2 32 GLN H 2.800 . 2.800 2.594 2.511 2.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
623 2 31 LYS H 2 33 GLN H 5.000 . 5.000 4.075 4.012 4.195 . 0 0 "[ . 1 . 2 . 3 .]" 1
624 2 31 LYS HA 2 32 GLN H 3.500 . 3.500 3.529 3.504 3.546 0.046 29 0 "[ . 1 . 2 . 3 .]" 1
625 2 31 LYS HA 2 34 GLN H 3.500 . 3.500 3.515 3.500 3.526 0.026 12 0 "[ . 1 . 2 . 3 .]" 1
626 2 31 LYS HA 2 35 LEU H 5.000 . 5.000 4.791 4.580 5.020 0.020 26 0 "[ . 1 . 2 . 3 .]" 1
627 2 31 LYS QD 2 35 LEU QD 5.000 . 5.000 4.303 3.034 5.013 0.013 18 0 "[ . 1 . 2 . 3 .]" 1
628 2 31 LYS QE 2 35 LEU QD 6.000 . 6.000 4.137 3.166 5.016 . 0 0 "[ . 1 . 2 . 3 .]" 1
629 2 32 GLN H 2 33 GLN H 2.800 . 2.800 2.594 2.484 2.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
630 2 32 GLN H 2 34 GLN H 5.000 . 5.000 4.364 4.170 4.472 . 0 0 "[ . 1 . 2 . 3 .]" 1
631 2 32 GLN HA 2 32 GLN QE 5.000 . 5.000 3.220 1.988 4.693 . 0 0 "[ . 1 . 2 . 3 .]" 1
632 2 32 GLN HA 2 33 GLN H 3.500 . 3.500 3.519 3.517 3.521 0.021 3 0 "[ . 1 . 2 . 3 .]" 1
633 2 32 GLN HA 2 34 GLN H 5.000 . 5.000 4.362 4.161 4.501 . 0 0 "[ . 1 . 2 . 3 .]" 1
634 2 32 GLN HA 2 35 LEU H 3.500 . 3.500 3.377 3.282 3.481 . 0 0 "[ . 1 . 2 . 3 .]" 1
635 2 32 GLN HA 2 35 LEU QD 5.000 . 5.000 3.526 3.092 3.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
636 2 32 GLN HA 2 36 GLU H 5.000 . 5.000 4.075 3.770 4.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
637 2 33 GLN H 2 35 LEU H 5.000 . 5.000 4.169 3.994 4.377 . 0 0 "[ . 1 . 2 . 3 .]" 1
638 2 33 GLN HA 2 34 GLN H 3.500 . 3.500 3.555 3.542 3.564 0.064 1 0 "[ . 1 . 2 . 3 .]" 1
639 2 33 GLN HA 2 36 GLU H 3.500 . 3.500 3.371 3.154 3.500 0.000 9 0 "[ . 1 . 2 . 3 .]" 1
640 2 33 GLN HA 2 36 GLU QB 3.500 . 3.500 2.346 2.005 2.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
641 2 33 GLN QE 2 36 GLU QB 5.000 . 5.000 4.891 4.138 5.075 0.075 26 0 "[ . 1 . 2 . 3 .]" 1
642 2 33 GLN QE 2 36 GLU QG 6.000 . 6.000 5.738 4.582 6.012 0.012 6 0 "[ . 1 . 2 . 3 .]" 1
643 2 33 GLN QE 2 37 GLU QG 5.000 . 5.000 5.016 5.004 5.030 0.030 7 0 "[ . 1 . 2 . 3 .]" 1
644 2 34 GLN H 2 34 GLN QE 3.500 . 3.500 3.213 2.563 3.505 0.005 34 0 "[ . 1 . 2 . 3 .]" 1
645 2 34 GLN H 2 35 LEU H 3.500 . 3.500 2.699 2.612 2.792 . 0 0 "[ . 1 . 2 . 3 .]" 1
646 2 34 GLN H 2 36 GLU H 5.000 . 5.000 3.982 3.830 4.169 . 0 0 "[ . 1 . 2 . 3 .]" 1
647 2 34 GLN HA 2 37 GLU H 3.500 . 3.500 3.520 3.506 3.532 0.032 1 0 "[ . 1 . 2 . 3 .]" 1
648 2 34 GLN HA 2 37 GLU QB 3.500 . 3.500 2.632 2.406 3.152 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 2 35 LEU H 2 35 LEU QD 5.000 . 5.000 3.437 2.350 3.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 2 35 LEU H 2 36 GLU H 2.800 . 2.800 2.501 2.411 2.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
651 2 35 LEU H 2 37 GLU H 5.000 . 5.000 3.941 3.781 4.149 . 0 0 "[ . 1 . 2 . 3 .]" 1
652 2 35 LEU HA 2 38 GLU H 3.500 . 3.500 3.511 3.289 3.530 0.030 32 0 "[ . 1 . 2 . 3 .]" 1
653 2 35 LEU QD 2 36 GLU H 5.000 . 5.000 4.067 3.836 4.186 . 0 0 "[ . 1 . 2 . 3 .]" 1
654 2 35 LEU QD 2 38 GLU QB 5.000 . 5.000 3.571 2.752 4.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
655 2 36 GLU H 2 36 GLU QG 3.500 . 3.500 2.883 2.542 3.519 0.019 26 0 "[ . 1 . 2 . 3 .]" 1
656 2 36 GLU H 2 37 GLU H 2.800 . 2.800 2.446 2.405 2.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
657 2 36 GLU H 2 38 GLU H 5.000 . 5.000 3.923 3.836 4.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
658 2 36 GLU HA 2 36 GLU QG 3.500 . 3.500 2.172 2.021 2.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
659 2 36 GLU HA 2 37 GLU H 3.500 . 3.500 3.522 3.518 3.533 0.033 27 0 "[ . 1 . 2 . 3 .]" 1
660 2 36 GLU HA 2 38 GLU H 5.000 . 5.000 4.265 4.214 4.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
661 2 36 GLU HA 2 39 ALA H 3.500 . 3.500 3.518 3.489 3.528 0.028 32 0 "[ . 1 . 2 . 3 .]" 1
662 2 36 GLU HA 2 39 ALA MB 3.500 . 3.500 2.729 2.523 2.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
663 2 37 GLU H 2 38 GLU H 2.800 . 2.800 2.443 2.410 2.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
664 2 37 GLU H 2 39 ALA H 5.000 . 5.000 3.948 3.833 4.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
665 2 37 GLU HA 2 40 ALA H 3.500 . 3.500 3.517 3.500 3.533 0.033 28 0 "[ . 1 . 2 . 3 .]" 1
666 2 37 GLU HA 2 40 ALA MB 3.500 . 3.500 2.954 2.687 3.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
667 2 38 GLU H 2 39 ALA H 2.800 . 2.800 2.455 2.409 2.539 . 0 0 "[ . 1 . 2 . 3 .]" 1
668 2 38 GLU H 2 40 ALA H 5.000 . 5.000 3.984 3.883 4.128 . 0 0 "[ . 1 . 2 . 3 .]" 1
669 2 38 GLU HA 2 39 ALA H 3.500 . 3.500 3.517 3.514 3.521 0.021 15 0 "[ . 1 . 2 . 3 .]" 1
670 2 38 GLU HA 2 39 ALA MB 5.000 . 5.000 4.946 4.929 4.959 . 0 0 "[ . 1 . 2 . 3 .]" 1
671 2 38 GLU HA 2 41 LYS H 3.500 . 3.500 3.485 3.332 3.518 0.018 24 0 "[ . 1 . 2 . 3 .]" 1
672 2 38 GLU HA 2 41 LYS QG 3.500 . 3.500 3.125 1.988 3.506 0.006 24 0 "[ . 1 . 2 . 3 .]" 1
673 2 39 ALA H 2 39 ALA MB 3.500 . 3.500 2.055 1.963 2.185 . 0 0 "[ . 1 . 2 . 3 .]" 1
674 2 39 ALA H 2 40 ALA H 2.800 . 2.800 2.472 2.402 2.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
675 2 39 ALA HA 2 40 ALA H 3.500 . 3.500 3.514 3.505 3.522 0.022 24 0 "[ . 1 . 2 . 3 .]" 1
676 2 39 ALA HA 2 41 LYS H 5.000 . 5.000 4.309 3.872 4.606 . 0 0 "[ . 1 . 2 . 3 .]" 1
677 2 39 ALA MB 2 40 ALA H 3.500 . 3.500 2.783 2.651 2.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
678 2 39 ALA MB 2 41 LYS H 5.000 . 5.000 4.494 4.380 4.567 . 0 0 "[ . 1 . 2 . 3 .]" 1
679 2 40 ALA H 2 40 ALA MB 2.800 . 2.800 2.176 1.982 2.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
680 2 40 ALA H 2 41 LYS H 2.800 . 2.800 2.371 2.166 2.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
681 2 40 ALA H 2 41 LYS HA 5.000 . 5.000 4.839 4.377 5.041 0.041 7 0 "[ . 1 . 2 . 3 .]" 1
682 2 40 ALA HA 2 41 LYS H 3.500 . 3.500 3.419 3.006 3.536 0.036 20 0 "[ . 1 . 2 . 3 .]" 1
683 2 40 ALA MB 2 41 LYS H 5.000 . 5.000 2.903 2.575 3.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
684 2 40 ALA MB 2 41 LYS HA 5.000 . 5.000 4.063 3.820 4.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
685 2 41 LYS HA 2 41 LYS QB 2.800 . 2.800 2.489 2.399 2.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
686 2 41 LYS HA 2 41 LYS QD 3.500 . 3.500 2.683 1.991 3.533 0.033 7 0 "[ . 1 . 2 . 3 .]" 1
687 2 41 LYS HA 2 41 LYS QG 2.800 . 2.800 2.267 1.968 2.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
688 2 41 LYS HA 2 42 PRO QD 2.800 . 2.800 2.107 2.006 2.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
689 2 41 LYS HA 2 42 PRO QG 5.000 . 5.000 4.016 3.909 4.170 . 0 0 "[ . 1 . 2 . 3 .]" 1
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