NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595207 |
5aas   |
25735 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5aas
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 1347
_Distance_constraint_stats_list.Viol_count 1621
_Distance_constraint_stats_list.Viol_total 651.819
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0201
_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 4 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASP 0.020 0.020 16 0 "[ . 1 . 2]"
1 6 VAL 0.263 0.079 1 0 "[ . 1 . 2]"
1 7 HIS 0.296 0.027 18 0 "[ . 1 . 2]"
1 8 LYS 0.065 0.013 7 0 "[ . 1 . 2]"
1 9 LYS 0.004 0.003 10 0 "[ . 1 . 2]"
1 10 CYS 0.459 0.038 19 0 "[ . 1 . 2]"
1 11 PRO 0.981 0.043 7 0 "[ . 1 . 2]"
1 12 LEU 1.957 0.040 20 0 "[ . 1 . 2]"
1 13 CYS 0.215 0.017 4 0 "[ . 1 . 2]"
1 14 GLU 0.001 0.001 19 0 "[ . 1 . 2]"
1 15 LEU 0.241 0.020 17 0 "[ . 1 . 2]"
1 16 MET 0.003 0.003 12 0 "[ . 1 . 2]"
1 17 PHE 1.459 0.045 7 0 "[ . 1 . 2]"
1 18 PRO 0.088 0.007 17 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 TYR 1.828 0.051 9 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLN 1.387 0.051 9 0 "[ . 1 . 2]"
1 24 SER 0.651 0.036 15 0 "[ . 1 . 2]"
1 25 LYS 0.780 0.039 20 0 "[ . 1 . 2]"
1 26 PHE 2.412 0.047 12 0 "[ . 1 . 2]"
1 27 GLU 0.563 0.033 17 0 "[ . 1 . 2]"
1 28 GLU 1.555 0.042 17 0 "[ . 1 . 2]"
1 29 HIS 3.872 0.080 15 0 "[ . 1 . 2]"
1 30 VAL 2.968 0.053 8 0 "[ . 1 . 2]"
1 31 GLU 0.575 0.065 12 0 "[ . 1 . 2]"
1 32 SER 0.008 0.008 11 0 "[ . 1 . 2]"
1 33 HIS 3.173 0.080 15 0 "[ . 1 . 2]"
1 34 TRP 2.430 0.044 12 0 "[ . 1 . 2]"
1 35 LYS 1.438 0.039 16 0 "[ . 1 . 2]"
1 36 VAL 1.927 0.081 17 0 "[ . 1 . 2]"
1 37 CYS 3.318 0.081 17 0 "[ . 1 . 2]"
1 38 PRO 0.299 0.022 12 0 "[ . 1 . 2]"
1 39 MET 0.520 0.020 19 0 "[ . 1 . 2]"
1 40 CYS 1.001 0.059 6 0 "[ . 1 . 2]"
1 41 SER 0.204 0.028 15 0 "[ . 1 . 2]"
1 42 GLU 1.842 0.063 1 0 "[ . 1 . 2]"
1 43 GLN 0.465 0.046 15 0 "[ . 1 . 2]"
1 44 PHE 2.218 0.063 1 0 "[ . 1 . 2]"
1 45 PRO 0.493 0.032 13 0 "[ . 1 . 2]"
1 46 PRO 0.773 0.030 15 0 "[ . 1 . 2]"
1 47 ASP 0.007 0.006 15 0 "[ . 1 . 2]"
1 48 TYR 0.324 0.017 17 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 0.473 0.025 12 0 "[ . 1 . 2]"
1 51 GLN 0.077 0.014 4 0 "[ . 1 . 2]"
1 52 VAL 0.233 0.020 5 0 "[ . 1 . 2]"
1 53 PHE 3.249 0.062 18 0 "[ . 1 . 2]"
1 54 GLU 1.115 0.049 19 0 "[ . 1 . 2]"
1 55 ARG 0.408 0.049 19 0 "[ . 1 . 2]"
1 56 HIS 3.124 0.058 16 0 "[ . 1 . 2]"
1 57 VAL 3.318 0.066 2 0 "[ . 1 . 2]"
1 58 GLN 1.004 0.042 1 0 "[ . 1 . 2]"
1 59 THR 2.093 0.081 19 0 "[ . 1 . 2]"
1 60 HIS 5.184 0.081 19 0 "[ . 1 . 2]"
1 61 PHE 0.680 0.042 1 0 "[ . 1 . 2]"
1 62 ASP 0.035 0.019 7 0 "[ . 1 . 2]"
1 63 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASN 0.000 0.000 . 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 4 PHE H 1 4 PHE QD 5.000 . 6.000 3.371 1.999 4.516 . 0 0 "[ . 1 . 2]" 1
2 1 4 PHE HA 1 4 PHE QD 4.000 . 4.750 2.846 2.242 3.725 . 0 0 "[ . 1 . 2]" 1
3 1 6 VAL H 1 6 VAL HB 3.000 . 3.500 2.952 2.620 3.579 0.079 1 0 "[ . 1 . 2]" 1
4 1 6 VAL H 1 6 VAL QG 4.000 . 4.750 2.263 1.866 2.714 . 0 0 "[ . 1 . 2]" 1
5 1 6 VAL HA 1 6 VAL HB 3.000 . 3.500 2.750 2.443 3.021 . 0 0 "[ . 1 . 2]" 1
6 1 7 HIS H 1 7 HIS HD2 5.000 . 6.000 4.297 3.877 4.587 . 0 0 "[ . 1 . 2]" 1
7 1 7 HIS HA 1 7 HIS HD2 4.000 . 4.750 2.083 2.035 2.171 . 0 0 "[ . 1 . 2]" 1
8 1 7 HIS HA 1 7 HIS HB3 3.000 . 3.500 2.674 2.598 2.718 . 0 0 "[ . 1 . 2]" 1
9 1 7 HIS HB3 1 7 HIS HD2 3.000 . 3.500 3.510 3.479 3.527 0.027 18 0 "[ . 1 . 2]" 1
10 1 7 HIS HB2 1 7 HIS HD2 4.000 . 4.750 3.845 3.826 3.869 . 0 0 "[ . 1 . 2]" 1
11 1 8 LYS H 1 8 LYS HB3 4.000 . 4.750 3.539 3.458 3.592 . 0 0 "[ . 1 . 2]" 1
12 1 8 LYS H 1 8 LYS HB2 4.000 . 4.750 2.276 2.170 2.361 . 0 0 "[ . 1 . 2]" 1
13 1 8 LYS H 1 8 LYS QD 5.000 . 6.000 4.192 3.599 4.907 . 0 0 "[ . 1 . 2]" 1
14 1 8 LYS HA 1 8 LYS QD 4.000 . 4.750 3.885 2.794 4.155 . 0 0 "[ . 1 . 2]" 1
15 1 8 LYS HB3 1 8 LYS QD 3.000 . 3.500 2.338 2.021 2.723 . 0 0 "[ . 1 . 2]" 1
16 1 8 LYS HB3 1 8 LYS QE 4.000 . 4.750 3.151 2.245 4.031 . 0 0 "[ . 1 . 2]" 1
17 1 8 LYS HB2 1 8 LYS QD 3.000 . 3.500 2.551 2.224 3.272 . 0 0 "[ . 1 . 2]" 1
18 1 8 LYS HB2 1 8 LYS QE 4.000 . 4.750 3.782 2.250 4.159 . 0 0 "[ . 1 . 2]" 1
19 1 8 LYS QE 1 8 LYS QG 3.000 . 3.500 2.162 1.949 2.472 . 0 0 "[ . 1 . 2]" 1
20 1 9 LYS H 1 9 LYS QG 4.000 . 4.750 3.849 3.235 4.109 . 0 0 "[ . 1 . 2]" 1
21 1 9 LYS H 1 9 LYS QD 4.000 . 4.750 4.566 4.168 4.732 . 0 0 "[ . 1 . 2]" 1
22 1 9 LYS HA 1 9 LYS QD 4.000 . 4.750 3.686 2.538 4.083 . 0 0 "[ . 1 . 2]" 1
23 1 9 LYS QB 1 9 LYS QD 3.000 . 3.500 2.078 1.935 2.186 . 0 0 "[ . 1 . 2]" 1
24 1 9 LYS QB 1 9 LYS QE 3.000 . 3.500 3.213 2.488 3.503 0.003 10 0 "[ . 1 . 2]" 1
25 1 9 LYS QE 1 9 LYS QG 3.000 . 3.500 2.068 1.961 2.184 . 0 0 "[ . 1 . 2]" 1
26 1 10 CYS H 1 10 CYS HB3 4.000 . 4.750 2.346 2.277 2.401 . 0 0 "[ . 1 . 2]" 1
27 1 10 CYS H 1 10 CYS HB2 4.000 . 4.750 2.764 2.700 2.851 . 0 0 "[ . 1 . 2]" 1
28 1 12 LEU H 1 12 LEU HB3 4.000 . 4.750 3.710 3.577 3.859 . 0 0 "[ . 1 . 2]" 1
29 1 12 LEU H 1 12 LEU HB2 4.000 . 4.750 2.567 2.345 2.800 . 0 0 "[ . 1 . 2]" 1
30 1 12 LEU H 1 12 LEU HG 5.000 . 6.000 3.045 2.461 3.503 . 0 0 "[ . 1 . 2]" 1
31 1 12 LEU H 1 12 LEU MD1 5.000 . 6.000 3.408 3.171 3.615 . 0 0 "[ . 1 . 2]" 1
32 1 12 LEU H 1 12 LEU MD2 5.000 . 6.000 4.249 3.823 4.573 . 0 0 "[ . 1 . 2]" 1
33 1 12 LEU HA 1 12 LEU HB3 3.000 . 3.500 2.510 2.449 2.548 . 0 0 "[ . 1 . 2]" 1
34 1 12 LEU HA 1 12 LEU HG 4.000 . 4.750 2.608 2.520 2.735 . 0 0 "[ . 1 . 2]" 1
35 1 12 LEU HA 1 12 LEU MD1 4.000 . 4.750 3.835 3.805 3.878 . 0 0 "[ . 1 . 2]" 1
36 1 12 LEU HA 1 12 LEU MD2 4.000 . 4.750 2.670 2.361 2.907 . 0 0 "[ . 1 . 2]" 1
37 1 12 LEU HB3 1 12 LEU MD1 3.000 . 3.500 2.752 2.634 2.842 . 0 0 "[ . 1 . 2]" 1
38 1 12 LEU HB2 1 12 LEU HG 3.000 . 3.500 2.713 2.629 2.802 . 0 0 "[ . 1 . 2]" 1
39 1 13 CYS H 1 13 CYS HB3 4.000 . 4.750 3.245 2.887 3.369 . 0 0 "[ . 1 . 2]" 1
40 1 13 CYS H 1 13 CYS HB2 4.000 . 4.750 3.885 3.698 3.958 . 0 0 "[ . 1 . 2]" 1
41 1 14 GLU H 1 14 GLU QG 4.000 . 4.750 3.209 2.550 4.128 . 0 0 "[ . 1 . 2]" 1
42 1 14 GLU HA 1 14 GLU QB 2.500 . 2.800 2.411 2.293 2.526 . 0 0 "[ . 1 . 2]" 1
43 1 14 GLU HA 1 14 GLU QG 3.000 . 3.500 2.372 2.025 2.601 . 0 0 "[ . 1 . 2]" 1
44 1 15 LEU H 1 15 LEU HB3 4.000 . 4.750 2.998 2.815 3.056 . 0 0 "[ . 1 . 2]" 1
45 1 15 LEU H 1 15 LEU HB2 4.000 . 4.750 2.444 2.359 2.583 . 0 0 "[ . 1 . 2]" 1
46 1 15 LEU H 1 15 LEU HG 5.000 . 6.000 4.632 4.469 4.723 . 0 0 "[ . 1 . 2]" 1
47 1 15 LEU HA 1 15 LEU HB2 3.000 . 3.500 2.724 2.632 2.750 . 0 0 "[ . 1 . 2]" 1
48 1 15 LEU HA 1 15 LEU HG 4.000 . 4.750 2.670 2.238 3.647 . 0 0 "[ . 1 . 2]" 1
49 1 15 LEU HA 1 15 LEU QD 4.000 . 4.750 2.138 1.916 2.753 . 0 0 "[ . 1 . 2]" 1
50 1 15 LEU HB3 1 15 LEU HG 3.000 . 3.500 2.541 2.439 3.006 . 0 0 "[ . 1 . 2]" 1
51 1 15 LEU HB2 1 15 LEU HG 3.000 . 3.500 2.927 2.389 3.022 . 0 0 "[ . 1 . 2]" 1
52 1 16 MET H 1 16 MET QG 4.000 . 4.750 3.288 2.506 4.190 . 0 0 "[ . 1 . 2]" 1
53 1 16 MET HA 1 16 MET ME 5.000 . 6.000 3.943 2.943 4.487 . 0 0 "[ . 1 . 2]" 1
54 1 16 MET QB 1 16 MET ME 4.000 . 4.750 2.965 1.965 3.640 . 0 0 "[ . 1 . 2]" 1
55 1 17 PHE H 1 17 PHE HB3 4.000 . 4.750 3.692 3.679 3.722 . 0 0 "[ . 1 . 2]" 1
56 1 17 PHE H 1 17 PHE HB2 4.000 . 4.750 2.494 2.471 2.542 . 0 0 "[ . 1 . 2]" 1
57 1 17 PHE H 1 17 PHE QD 4.000 . 4.750 3.616 3.574 3.660 . 0 0 "[ . 1 . 2]" 1
58 1 17 PHE H 1 17 PHE QE 5.000 . 6.000 5.151 5.092 5.212 . 0 0 "[ . 1 . 2]" 1
59 1 17 PHE HA 1 17 PHE QD 4.000 . 4.750 1.956 1.931 1.983 . 0 0 "[ . 1 . 2]" 1
60 1 17 PHE HA 1 17 PHE QE 5.000 . 6.000 4.252 4.234 4.274 . 0 0 "[ . 1 . 2]" 1
61 1 17 PHE HB3 1 17 PHE QD 3.000 . 3.500 2.746 2.738 2.754 . 0 0 "[ . 1 . 2]" 1
62 1 17 PHE HB2 1 17 PHE QD 3.000 . 3.500 2.311 2.302 2.323 . 0 0 "[ . 1 . 2]" 1
63 1 20 ASN H 1 20 ASN HD21 5.000 . 6.000 4.374 3.217 4.936 . 0 0 "[ . 1 . 2]" 1
64 1 20 ASN H 1 20 ASN HD22 5.000 . 6.000 5.188 3.680 5.910 . 0 0 "[ . 1 . 2]" 1
65 1 20 ASN HA 1 20 ASN HD22 5.000 . 6.000 4.348 3.432 5.289 . 0 0 "[ . 1 . 2]" 1
66 1 21 TYR H 1 21 TYR HB3 4.000 . 4.750 2.623 2.592 2.681 . 0 0 "[ . 1 . 2]" 1
67 1 21 TYR H 1 21 TYR HB2 4.000 . 4.750 2.465 2.404 2.503 . 0 0 "[ . 1 . 2]" 1
68 1 21 TYR H 1 21 TYR QD 4.000 . 4.750 4.195 4.168 4.206 . 0 0 "[ . 1 . 2]" 1
69 1 21 TYR HA 1 21 TYR QD 3.000 . 3.500 2.993 2.900 3.064 . 0 0 "[ . 1 . 2]" 1
70 1 21 TYR HA 1 21 TYR QE 5.000 . 6.000 4.625 4.577 4.652 . 0 0 "[ . 1 . 2]" 1
71 1 21 TYR HB3 1 21 TYR QD 3.000 . 3.500 2.424 2.382 2.464 . 0 0 "[ . 1 . 2]" 1
72 1 21 TYR HB3 1 21 TYR QE 4.000 . 4.750 4.421 4.410 4.430 . 0 0 "[ . 1 . 2]" 1
73 1 21 TYR HB2 1 21 TYR QD 3.000 . 3.500 2.373 2.340 2.410 . 0 0 "[ . 1 . 2]" 1
74 1 21 TYR HB2 1 21 TYR QE 4.000 . 4.750 4.408 4.398 4.419 . 0 0 "[ . 1 . 2]" 1
75 1 23 GLN H 1 23 GLN QB 3.000 . 3.500 2.173 2.039 2.471 . 0 0 "[ . 1 . 2]" 1
76 1 23 GLN H 1 23 GLN QG 4.000 . 4.750 3.336 2.363 4.017 . 0 0 "[ . 1 . 2]" 1
77 1 23 GLN HA 1 23 GLN QG 3.000 . 3.500 2.350 2.067 3.360 . 0 0 "[ . 1 . 2]" 1
78 1 23 GLN HE21 1 23 GLN QG 3.000 . 3.500 2.374 2.097 2.688 . 0 0 "[ . 1 . 2]" 1
79 1 23 GLN HE22 1 23 GLN QG 3.000 . 3.500 3.326 3.218 3.450 . 0 0 "[ . 1 . 2]" 1
80 1 24 SER H 1 24 SER HA 3.000 . 3.500 2.780 2.777 2.800 . 0 0 "[ . 1 . 2]" 1
81 1 24 SER H 1 24 SER QB 3.000 . 3.500 2.654 2.199 2.832 . 0 0 "[ . 1 . 2]" 1
82 1 25 LYS H 1 25 LYS HA 3.000 . 3.500 2.833 2.827 2.842 . 0 0 "[ . 1 . 2]" 1
83 1 25 LYS H 1 25 LYS QG 4.000 . 4.750 2.989 2.369 3.544 . 0 0 "[ . 1 . 2]" 1
84 1 25 LYS H 1 25 LYS QD 4.000 . 4.750 3.909 2.897 4.748 . 0 0 "[ . 1 . 2]" 1
85 1 25 LYS HA 1 25 LYS QG 3.000 . 3.500 2.266 2.016 2.464 . 0 0 "[ . 1 . 2]" 1
86 1 25 LYS HA 1 25 LYS QD 4.000 . 4.750 3.618 2.121 4.169 . 0 0 "[ . 1 . 2]" 1
87 1 25 LYS QB 1 25 LYS QD 3.000 . 3.500 2.125 1.929 2.453 . 0 0 "[ . 1 . 2]" 1
88 1 25 LYS QB 1 25 LYS QE 4.000 . 4.750 3.193 2.302 3.684 . 0 0 "[ . 1 . 2]" 1
89 1 26 PHE H 1 26 PHE HA 3.000 . 3.500 2.830 2.825 2.837 . 0 0 "[ . 1 . 2]" 1
90 1 26 PHE H 1 26 PHE HB3 4.000 . 4.750 2.554 2.525 2.585 . 0 0 "[ . 1 . 2]" 1
91 1 26 PHE H 1 26 PHE HB2 4.000 . 4.750 2.508 2.481 2.544 . 0 0 "[ . 1 . 2]" 1
92 1 26 PHE H 1 26 PHE QD 4.000 . 4.750 4.169 4.158 4.177 . 0 0 "[ . 1 . 2]" 1
93 1 26 PHE HA 1 26 PHE HB2 3.000 . 3.500 2.489 2.467 2.508 . 0 0 "[ . 1 . 2]" 1
94 1 26 PHE HA 1 26 PHE QD 3.000 . 3.500 2.263 2.198 2.332 . 0 0 "[ . 1 . 2]" 1
95 1 26 PHE HA 1 26 PHE QE 5.000 . 6.000 4.397 4.366 4.435 . 0 0 "[ . 1 . 2]" 1
96 1 26 PHE HB3 1 26 PHE QD 3.000 . 3.500 2.272 2.267 2.275 . 0 0 "[ . 1 . 2]" 1
97 1 26 PHE HB2 1 26 PHE QD 3.000 . 3.500 2.646 2.619 2.668 . 0 0 "[ . 1 . 2]" 1
98 1 27 GLU H 1 27 GLU HA 3.000 . 3.500 2.812 2.811 2.814 . 0 0 "[ . 1 . 2]" 1
99 1 27 GLU H 1 27 GLU QB 3.000 . 3.500 2.205 2.051 2.371 . 0 0 "[ . 1 . 2]" 1
100 1 27 GLU H 1 27 GLU QG 4.000 . 4.750 2.813 2.350 3.492 . 0 0 "[ . 1 . 2]" 1
101 1 27 GLU HA 1 27 GLU QG 3.000 . 3.500 2.331 2.064 2.879 . 0 0 "[ . 1 . 2]" 1
102 1 28 GLU H 1 28 GLU HA 3.000 . 3.500 2.828 2.803 2.846 . 0 0 "[ . 1 . 2]" 1
103 1 28 GLU H 1 28 GLU QB 3.000 . 3.500 2.187 2.044 2.428 . 0 0 "[ . 1 . 2]" 1
104 1 28 GLU H 1 28 GLU QG 3.000 . 3.500 2.882 2.209 3.502 0.002 16 0 "[ . 1 . 2]" 1
105 1 28 GLU HA 1 28 GLU QG 3.000 . 3.500 2.264 2.054 2.805 . 0 0 "[ . 1 . 2]" 1
106 1 29 HIS H 1 29 HIS HA 3.000 . 3.500 2.832 2.823 2.847 . 0 0 "[ . 1 . 2]" 1
107 1 29 HIS H 1 29 HIS HB3 3.000 . 3.500 2.174 2.159 2.196 . 0 0 "[ . 1 . 2]" 1
108 1 29 HIS H 1 29 HIS HB2 3.000 . 3.500 2.914 2.877 2.950 . 0 0 "[ . 1 . 2]" 1
109 1 29 HIS H 1 29 HIS HD2 4.000 . 4.750 4.477 4.413 4.539 . 0 0 "[ . 1 . 2]" 1
110 1 29 HIS HA 1 29 HIS HB2 3.000 . 3.500 2.311 2.302 2.322 . 0 0 "[ . 1 . 2]" 1
111 1 29 HIS HA 1 29 HIS HD2 4.000 . 4.750 4.508 4.461 4.541 . 0 0 "[ . 1 . 2]" 1
112 1 29 HIS HB3 1 29 HIS HD2 4.000 . 4.750 2.814 2.790 2.833 . 0 0 "[ . 1 . 2]" 1
113 1 29 HIS HB2 1 29 HIS HD2 4.000 . 4.750 3.899 3.886 3.909 . 0 0 "[ . 1 . 2]" 1
114 1 30 VAL H 1 30 VAL HB 3.000 . 3.500 2.523 2.465 2.559 . 0 0 "[ . 1 . 2]" 1
115 1 30 VAL H 1 30 VAL MG2 4.000 . 4.750 2.104 2.013 2.382 . 0 0 "[ . 1 . 2]" 1
116 1 31 GLU H 1 31 GLU HA 3.000 . 3.500 2.846 2.822 2.851 . 0 0 "[ . 1 . 2]" 1
117 1 31 GLU H 1 31 GLU QB 3.000 . 3.500 2.346 2.239 2.448 . 0 0 "[ . 1 . 2]" 1
118 1 31 GLU H 1 31 GLU QG 3.000 . 3.500 2.483 2.197 2.716 . 0 0 "[ . 1 . 2]" 1
119 1 31 GLU HA 1 31 GLU QG 3.000 . 3.500 2.584 2.200 3.400 . 0 0 "[ . 1 . 2]" 1
120 1 32 SER H 1 32 SER HA 3.000 . 3.500 2.786 2.783 2.793 . 0 0 "[ . 1 . 2]" 1
121 1 32 SER H 1 32 SER QB 3.000 . 3.500 2.188 2.052 2.543 . 0 0 "[ . 1 . 2]" 1
122 1 33 HIS H 1 33 HIS HB3 4.000 . 4.750 3.617 3.608 3.642 . 0 0 "[ . 1 . 2]" 1
123 1 33 HIS H 1 33 HIS HB2 3.000 . 3.500 2.628 2.522 2.677 . 0 0 "[ . 1 . 2]" 1
124 1 33 HIS H 1 33 HIS HD2 3.000 . 3.500 2.603 2.448 2.872 . 0 0 "[ . 1 . 2]" 1
125 1 33 HIS HA 1 33 HIS HD2 4.000 . 4.750 4.469 4.403 4.521 . 0 0 "[ . 1 . 2]" 1
126 1 33 HIS HB3 1 33 HIS HD2 4.000 . 4.750 3.847 3.806 3.878 . 0 0 "[ . 1 . 2]" 1
127 1 33 HIS HB2 1 33 HIS HD2 3.000 . 3.500 2.736 2.700 2.771 . 0 0 "[ . 1 . 2]" 1
128 1 34 TRP H 1 34 TRP HD1 3.000 . 3.500 2.454 2.388 2.541 . 0 0 "[ . 1 . 2]" 1
129 1 34 TRP H 1 34 TRP HE3 5.000 . 6.000 5.472 5.425 5.500 . 0 0 "[ . 1 . 2]" 1
130 1 34 TRP H 1 34 TRP QB 3.000 . 3.500 2.285 2.268 2.300 . 0 0 "[ . 1 . 2]" 1
131 1 34 TRP HA 1 34 TRP HD1 4.000 . 4.750 2.674 2.629 2.735 . 0 0 "[ . 1 . 2]" 1
132 1 34 TRP HA 1 34 TRP HE1 5.000 . 6.000 4.747 4.722 4.818 . 0 0 "[ . 1 . 2]" 1
133 1 34 TRP HA 1 34 TRP HE3 4.000 . 4.750 4.765 4.735 4.790 0.040 10 0 "[ . 1 . 2]" 1
134 1 34 TRP QB 1 34 TRP HD1 3.000 . 3.500 3.119 3.101 3.139 . 0 0 "[ . 1 . 2]" 1
135 1 34 TRP QB 1 34 TRP HE3 3.000 . 3.500 2.465 2.458 2.473 . 0 0 "[ . 1 . 2]" 1
136 1 35 LYS H 1 35 LYS HA 3.000 . 3.500 2.907 2.896 2.916 . 0 0 "[ . 1 . 2]" 1
137 1 35 LYS H 1 35 LYS HB3 4.000 . 4.750 3.519 3.439 3.550 . 0 0 "[ . 1 . 2]" 1
138 1 35 LYS H 1 35 LYS HB2 4.000 . 4.750 2.232 2.170 2.270 . 0 0 "[ . 1 . 2]" 1
139 1 35 LYS H 1 35 LYS QG 4.000 . 4.750 3.153 3.018 3.405 . 0 0 "[ . 1 . 2]" 1
140 1 35 LYS H 1 35 LYS QD 4.000 . 4.750 3.277 3.161 3.506 . 0 0 "[ . 1 . 2]" 1
141 1 35 LYS HA 1 35 LYS QG 3.000 . 3.500 2.245 2.140 2.320 . 0 0 "[ . 1 . 2]" 1
142 1 35 LYS HA 1 35 LYS QD 4.000 . 4.750 3.871 3.782 3.988 . 0 0 "[ . 1 . 2]" 1
143 1 35 LYS HB3 1 35 LYS QD 3.000 . 3.500 2.814 2.633 2.889 . 0 0 "[ . 1 . 2]" 1
144 1 35 LYS HB2 1 35 LYS QD 3.000 . 3.500 2.117 2.030 2.240 . 0 0 "[ . 1 . 2]" 1
145 1 36 VAL H 1 36 VAL HB 3.000 . 3.500 2.713 2.683 2.739 . 0 0 "[ . 1 . 2]" 1
146 1 36 VAL H 1 36 VAL MG2 4.000 . 4.750 2.686 2.550 2.763 . 0 0 "[ . 1 . 2]" 1
147 1 37 CYS H 1 37 CYS HA 3.000 . 3.500 2.874 2.862 2.884 . 0 0 "[ . 1 . 2]" 1
148 1 37 CYS H 1 37 CYS HB3 3.000 . 3.500 2.512 2.489 2.550 . 0 0 "[ . 1 . 2]" 1
149 1 37 CYS H 1 37 CYS HB2 3.000 . 3.500 2.586 2.549 2.633 . 0 0 "[ . 1 . 2]" 1
150 1 39 MET H 1 39 MET ME 5.000 . 6.000 4.150 3.909 4.367 . 0 0 "[ . 1 . 2]" 1
151 1 39 MET H 1 39 MET HB3 4.000 . 4.750 3.618 3.606 3.629 . 0 0 "[ . 1 . 2]" 1
152 1 39 MET H 1 39 MET HB2 3.000 . 3.500 2.432 2.374 2.512 . 0 0 "[ . 1 . 2]" 1
153 1 39 MET H 1 39 MET QG 4.000 . 4.750 2.524 2.380 2.655 . 0 0 "[ . 1 . 2]" 1
154 1 39 MET HA 1 39 MET ME 5.000 . 6.000 3.661 3.551 3.809 . 0 0 "[ . 1 . 2]" 1
155 1 39 MET HA 1 39 MET HB3 3.000 . 3.500 2.490 2.438 2.534 . 0 0 "[ . 1 . 2]" 1
156 1 40 CYS H 1 40 CYS HB3 4.000 . 4.750 3.095 3.087 3.107 . 0 0 "[ . 1 . 2]" 1
157 1 40 CYS H 1 40 CYS HB2 4.000 . 4.750 3.855 3.842 3.866 . 0 0 "[ . 1 . 2]" 1
158 1 40 CYS HA 1 40 CYS HB2 3.000 . 3.500 2.404 2.396 2.415 . 0 0 "[ . 1 . 2]" 1
159 1 41 SER H 1 41 SER HA 3.000 . 3.500 2.300 2.285 2.363 . 0 0 "[ . 1 . 2]" 1
160 1 41 SER H 1 41 SER QB 3.000 . 3.500 3.224 3.112 3.520 0.020 1 0 "[ . 1 . 2]" 1
161 1 42 GLU H 1 42 GLU HA 3.000 . 3.500 2.913 2.892 2.932 . 0 0 "[ . 1 . 2]" 1
162 1 42 GLU H 1 42 GLU QB 3.000 . 3.500 2.214 2.121 2.374 . 0 0 "[ . 1 . 2]" 1
163 1 42 GLU H 1 42 GLU QG 4.000 . 4.750 3.740 3.300 4.081 . 0 0 "[ . 1 . 2]" 1
164 1 42 GLU HA 1 42 GLU QG 3.000 . 3.500 2.201 2.044 2.541 . 0 0 "[ . 1 . 2]" 1
165 1 43 GLN H 1 43 GLN QB 3.000 . 3.500 2.290 2.249 2.868 . 0 0 "[ . 1 . 2]" 1
166 1 43 GLN H 1 43 GLN QG 4.000 . 4.750 3.434 2.127 3.642 . 0 0 "[ . 1 . 2]" 1
167 1 44 PHE H 1 44 PHE HB3 4.000 . 4.750 3.755 3.752 3.777 . 0 0 "[ . 1 . 2]" 1
168 1 44 PHE H 1 44 PHE HB2 4.000 . 4.750 2.612 2.600 2.722 . 0 0 "[ . 1 . 2]" 1
169 1 44 PHE H 1 44 PHE QD 4.000 . 4.750 2.683 2.059 2.852 . 0 0 "[ . 1 . 2]" 1
170 1 44 PHE H 1 44 PHE QE 5.000 . 6.000 4.733 4.240 4.822 . 0 0 "[ . 1 . 2]" 1
171 1 44 PHE HA 1 44 PHE QD 4.000 . 4.750 2.981 2.864 3.245 . 0 0 "[ . 1 . 2]" 1
172 1 44 PHE HA 1 44 PHE QE 5.000 . 6.000 4.665 4.616 4.866 . 0 0 "[ . 1 . 2]" 1
173 1 44 PHE HB3 1 44 PHE QD 3.000 . 3.500 2.364 2.281 2.409 . 0 0 "[ . 1 . 2]" 1
174 1 44 PHE HB2 1 44 PHE QD 3.000 . 3.500 2.415 2.368 2.560 . 0 0 "[ . 1 . 2]" 1
175 1 47 ASP H 1 47 ASP QB 3.000 . 3.500 2.279 2.104 2.713 . 0 0 "[ . 1 . 2]" 1
176 1 48 TYR H 1 48 TYR HA 3.000 . 3.500 2.824 2.797 2.865 . 0 0 "[ . 1 . 2]" 1
177 1 48 TYR H 1 48 TYR HB3 4.000 . 4.750 2.961 2.894 3.025 . 0 0 "[ . 1 . 2]" 1
178 1 48 TYR H 1 48 TYR HB2 3.000 . 3.500 2.179 2.147 2.225 . 0 0 "[ . 1 . 2]" 1
179 1 48 TYR H 1 48 TYR QD 4.000 . 4.750 3.863 3.777 3.966 . 0 0 "[ . 1 . 2]" 1
180 1 48 TYR HA 1 48 TYR QD 3.000 . 3.500 2.765 2.527 2.956 . 0 0 "[ . 1 . 2]" 1
181 1 48 TYR HA 1 48 TYR QE 5.000 . 6.000 4.415 4.327 4.501 . 0 0 "[ . 1 . 2]" 1
182 1 48 TYR HB3 1 48 TYR QD 3.000 . 3.500 2.330 2.285 2.393 . 0 0 "[ . 1 . 2]" 1
183 1 48 TYR HB2 1 48 TYR QD 3.000 . 3.500 2.488 2.401 2.583 . 0 0 "[ . 1 . 2]" 1
184 1 49 ASP H 1 49 ASP QB 3.000 . 3.500 2.184 2.065 2.390 . 0 0 "[ . 1 . 2]" 1
185 1 50 GLN H 1 50 GLN QB 3.000 . 3.500 2.183 2.037 2.249 . 0 0 "[ . 1 . 2]" 1
186 1 50 GLN H 1 50 GLN QG 4.000 . 4.750 3.737 2.871 4.030 . 0 0 "[ . 1 . 2]" 1
187 1 50 GLN HA 1 50 GLN HE21 5.000 . 6.000 3.568 2.500 4.671 . 0 0 "[ . 1 . 2]" 1
188 1 50 GLN HA 1 50 GLN HE22 4.000 . 4.750 4.522 3.916 4.760 0.010 17 0 "[ . 1 . 2]" 1
189 1 50 GLN HA 1 50 GLN QG 3.000 . 3.500 2.420 2.005 3.122 . 0 0 "[ . 1 . 2]" 1
190 1 50 GLN QB 1 50 GLN HE22 4.000 . 4.750 3.955 3.381 4.341 . 0 0 "[ . 1 . 2]" 1
191 1 50 GLN HE22 1 50 GLN QG 3.000 . 3.500 3.255 3.218 3.374 . 0 0 "[ . 1 . 2]" 1
192 1 51 GLN H 1 51 GLN HA 3.000 . 3.500 2.803 2.796 2.808 . 0 0 "[ . 1 . 2]" 1
193 1 51 GLN H 1 51 GLN QB 3.000 . 3.500 2.202 2.040 2.536 . 0 0 "[ . 1 . 2]" 1
194 1 51 GLN H 1 51 GLN QG 4.000 . 4.750 3.365 1.987 4.058 . 0 0 "[ . 1 . 2]" 1
195 1 51 GLN HA 1 51 GLN QG 3.000 . 3.500 2.305 2.002 2.695 . 0 0 "[ . 1 . 2]" 1
196 1 51 GLN QB 1 51 GLN HE22 4.000 . 4.750 3.770 3.251 4.286 . 0 0 "[ . 1 . 2]" 1
197 1 52 VAL H 1 52 VAL HA 3.000 . 3.500 2.831 2.825 2.838 . 0 0 "[ . 1 . 2]" 1
198 1 52 VAL H 1 52 VAL HB 3.000 . 3.500 2.636 2.601 2.689 . 0 0 "[ . 1 . 2]" 1
199 1 52 VAL H 1 52 VAL MG1 4.000 . 4.750 3.768 3.764 3.771 . 0 0 "[ . 1 . 2]" 1
200 1 52 VAL H 1 52 VAL MG2 4.000 . 4.750 2.010 1.935 2.152 . 0 0 "[ . 1 . 2]" 1
201 1 52 VAL HA 1 52 VAL MG1 3.000 . 3.500 2.334 2.259 2.395 . 0 0 "[ . 1 . 2]" 1
202 1 52 VAL HA 1 52 VAL MG2 3.000 . 3.500 2.464 2.390 2.506 . 0 0 "[ . 1 . 2]" 1
203 1 53 PHE H 1 53 PHE HB3 3.000 . 3.500 2.384 2.363 2.397 . 0 0 "[ . 1 . 2]" 1
204 1 53 PHE H 1 53 PHE HB2 3.000 . 3.500 2.711 2.685 2.743 . 0 0 "[ . 1 . 2]" 1
205 1 53 PHE H 1 53 PHE QD 4.000 . 4.750 4.175 4.166 4.182 . 0 0 "[ . 1 . 2]" 1
206 1 53 PHE HA 1 53 PHE HB2 3.000 . 3.500 2.394 2.386 2.399 . 0 0 "[ . 1 . 2]" 1
207 1 53 PHE HA 1 53 PHE QD 3.000 . 3.500 2.274 2.238 2.329 . 0 0 "[ . 1 . 2]" 1
208 1 53 PHE HA 1 53 PHE QE 5.000 . 6.000 4.522 4.491 4.564 . 0 0 "[ . 1 . 2]" 1
209 1 53 PHE HB3 1 53 PHE QD 3.000 . 3.500 2.273 2.266 2.281 . 0 0 "[ . 1 . 2]" 1
210 1 54 GLU H 1 54 GLU HA 3.000 . 3.500 2.777 2.771 2.786 . 0 0 "[ . 1 . 2]" 1
211 1 54 GLU H 1 54 GLU QB 3.000 . 3.500 2.202 2.160 2.353 . 0 0 "[ . 1 . 2]" 1
212 1 54 GLU H 1 54 GLU QG 3.000 . 3.500 2.779 2.431 2.875 . 0 0 "[ . 1 . 2]" 1
213 1 54 GLU HA 1 54 GLU QG 3.000 . 3.500 2.330 2.152 2.673 . 0 0 "[ . 1 . 2]" 1
214 1 55 ARG H 1 55 ARG QB 3.000 . 3.500 2.225 2.058 2.341 . 0 0 "[ . 1 . 2]" 1
215 1 55 ARG H 1 55 ARG QG 3.000 . 3.500 2.785 2.405 3.250 . 0 0 "[ . 1 . 2]" 1
216 1 55 ARG H 1 55 ARG QD 4.000 . 4.750 4.210 3.714 4.676 . 0 0 "[ . 1 . 2]" 1
217 1 55 ARG HA 1 55 ARG QG 3.000 . 3.500 2.918 2.056 3.454 . 0 0 "[ . 1 . 2]" 1
218 1 55 ARG HA 1 55 ARG QD 4.000 . 4.750 3.804 2.638 4.527 . 0 0 "[ . 1 . 2]" 1
219 1 55 ARG QB 1 55 ARG QD 3.000 . 3.500 2.133 1.927 2.398 . 0 0 "[ . 1 . 2]" 1
220 1 56 HIS H 1 56 HIS HA 3.000 . 3.500 2.827 2.803 2.840 . 0 0 "[ . 1 . 2]" 1
221 1 56 HIS H 1 56 HIS HB3 3.000 . 3.500 2.235 2.194 2.281 . 0 0 "[ . 1 . 2]" 1
222 1 56 HIS H 1 56 HIS HB2 3.000 . 3.500 2.870 2.827 2.910 . 0 0 "[ . 1 . 2]" 1
223 1 56 HIS H 1 56 HIS HD2 4.000 . 4.750 4.580 4.494 4.677 . 0 0 "[ . 1 . 2]" 1
224 1 56 HIS HA 1 56 HIS HB2 3.000 . 3.500 2.325 2.314 2.337 . 0 0 "[ . 1 . 2]" 1
225 1 56 HIS HA 1 56 HIS HD2 5.000 . 6.000 4.418 4.397 4.437 . 0 0 "[ . 1 . 2]" 1
226 1 56 HIS HB3 1 56 HIS HD2 3.000 . 3.500 2.839 2.824 2.853 . 0 0 "[ . 1 . 2]" 1
227 1 56 HIS HB2 1 56 HIS HD2 4.000 . 4.750 3.916 3.911 3.923 . 0 0 "[ . 1 . 2]" 1
228 1 57 VAL H 1 57 VAL HA 3.000 . 3.500 2.833 2.822 2.840 . 0 0 "[ . 1 . 2]" 1
229 1 57 VAL H 1 57 VAL HB 3.000 . 3.500 2.969 2.918 3.073 . 0 0 "[ . 1 . 2]" 1
230 1 57 VAL H 1 57 VAL MG2 4.000 . 4.750 1.901 1.863 1.935 . 0 0 "[ . 1 . 2]" 1
231 1 57 VAL HA 1 57 VAL MG2 3.000 . 3.500 2.650 2.610 2.733 . 0 0 "[ . 1 . 2]" 1
232 1 58 GLN H 1 58 GLN HA 3.000 . 3.500 2.825 2.786 2.837 . 0 0 "[ . 1 . 2]" 1
233 1 58 GLN H 1 58 GLN HE21 5.000 . 6.000 4.324 3.154 4.662 . 0 0 "[ . 1 . 2]" 1
234 1 58 GLN H 1 58 GLN QB 3.000 . 3.500 2.256 2.192 2.321 . 0 0 "[ . 1 . 2]" 1
235 1 58 GLN H 1 58 GLN QG 3.000 . 3.500 2.595 2.420 2.760 . 0 0 "[ . 1 . 2]" 1
236 1 58 GLN HA 1 58 GLN HE21 5.000 . 6.000 3.378 2.097 3.658 . 0 0 "[ . 1 . 2]" 1
237 1 58 GLN HA 1 58 GLN QG 3.000 . 3.500 2.723 2.656 2.857 . 0 0 "[ . 1 . 2]" 1
238 1 59 THR H 1 59 THR HA 3.000 . 3.500 2.792 2.784 2.796 . 0 0 "[ . 1 . 2]" 1
239 1 59 THR H 1 59 THR HB 3.000 . 3.500 2.557 2.248 3.565 0.065 10 0 "[ . 1 . 2]" 1
240 1 59 THR H 1 59 THR HG1 5.000 . 6.000 3.263 2.345 4.408 . 0 0 "[ . 1 . 2]" 1
241 1 59 THR H 1 59 THR MG 4.000 . 4.750 3.191 2.107 3.719 . 0 0 "[ . 1 . 2]" 1
242 1 59 THR HA 1 59 THR HB 3.000 . 3.500 2.801 2.375 3.016 . 0 0 "[ . 1 . 2]" 1
243 1 59 THR HA 1 59 THR MG 3.000 . 3.500 2.698 2.453 3.194 . 0 0 "[ . 1 . 2]" 1
244 1 60 HIS H 1 60 HIS HB3 4.000 . 4.750 3.599 3.570 3.610 . 0 0 "[ . 1 . 2]" 1
245 1 60 HIS H 1 60 HIS HB2 3.000 . 3.500 2.405 2.334 2.426 . 0 0 "[ . 1 . 2]" 1
246 1 60 HIS H 1 60 HIS HD2 3.000 . 3.500 3.038 3.018 3.056 . 0 0 "[ . 1 . 2]" 1
247 1 60 HIS HA 1 60 HIS HB3 3.000 . 3.500 2.497 2.481 2.537 . 0 0 "[ . 1 . 2]" 1
248 1 60 HIS HA 1 60 HIS HD2 5.000 . 6.000 4.441 4.356 4.479 . 0 0 "[ . 1 . 2]" 1
249 1 60 HIS HB3 1 60 HIS HD2 4.000 . 4.750 3.795 3.789 3.801 . 0 0 "[ . 1 . 2]" 1
250 1 60 HIS HB2 1 60 HIS HD2 3.000 . 3.500 2.699 2.695 2.703 . 0 0 "[ . 1 . 2]" 1
251 1 61 PHE H 1 61 PHE HB3 4.000 . 4.750 3.609 3.597 3.665 . 0 0 "[ . 1 . 2]" 1
252 1 61 PHE H 1 61 PHE HB2 3.000 . 3.500 2.577 2.520 2.614 . 0 0 "[ . 1 . 2]" 1
253 1 61 PHE H 1 61 PHE QD 4.000 . 4.750 2.742 1.893 3.040 . 0 0 "[ . 1 . 2]" 1
254 1 61 PHE HA 1 61 PHE QD 4.000 . 4.750 2.192 2.039 3.186 . 0 0 "[ . 1 . 2]" 1
255 1 61 PHE HB3 1 61 PHE QD 3.000 . 3.500 2.696 2.285 2.760 . 0 0 "[ . 1 . 2]" 1
256 1 61 PHE HB2 1 61 PHE QD 3.000 . 3.500 2.424 2.354 2.539 . 0 0 "[ . 1 . 2]" 1
257 1 64 ASN H 1 64 ASN HD21 5.000 . 6.000 4.661 3.995 5.351 . 0 0 "[ . 1 . 2]" 1
258 1 64 ASN H 1 64 ASN HD22 5.000 . 6.000 5.416 4.597 5.994 . 0 0 "[ . 1 . 2]" 1
259 1 64 ASN HA 1 64 ASN HD22 5.000 . 6.000 4.009 3.363 4.672 . 0 0 "[ . 1 . 2]" 1
260 1 4 PHE HA 1 5 ASP H 4.000 . 4.750 2.481 2.140 3.571 . 0 0 "[ . 1 . 2]" 1
261 1 4 PHE QB 1 5 ASP H 5.000 . 6.000 3.181 1.988 4.035 . 0 0 "[ . 1 . 2]" 1
262 1 5 ASP HA 1 6 VAL H 3.000 . 3.500 2.448 2.144 3.520 0.020 16 0 "[ . 1 . 2]" 1
263 1 5 ASP QB 1 6 VAL H 4.000 . 4.750 3.230 1.977 4.026 . 0 0 "[ . 1 . 2]" 1
264 1 6 VAL H 1 7 HIS H 4.000 . 4.750 3.079 1.990 4.589 . 0 0 "[ . 1 . 2]" 1
265 1 6 VAL HA 1 7 HIS H 3.000 . 3.500 2.768 2.176 3.495 . 0 0 "[ . 1 . 2]" 1
266 1 6 VAL HB 1 7 HIS H 4.000 . 4.750 3.978 2.853 4.657 . 0 0 "[ . 1 . 2]" 1
267 1 6 VAL QG 1 7 HIS H 5.000 . 6.000 3.424 2.853 3.724 . 0 0 "[ . 1 . 2]" 1
268 1 7 HIS HA 1 8 LYS H 4.000 . 4.750 2.199 2.139 2.308 . 0 0 "[ . 1 . 2]" 1
269 1 7 HIS HB3 1 8 LYS H 4.000 . 4.750 3.157 2.743 3.586 . 0 0 "[ . 1 . 2]" 1
270 1 7 HIS HB2 1 8 LYS H 5.000 . 6.000 4.276 4.040 4.495 . 0 0 "[ . 1 . 2]" 1
271 1 8 LYS HA 1 9 LYS H 3.000 . 3.500 2.145 2.139 2.160 . 0 0 "[ . 1 . 2]" 1
272 1 8 LYS HB3 1 9 LYS H 4.000 . 4.750 3.494 3.260 3.674 . 0 0 "[ . 1 . 2]" 1
273 1 8 LYS HB2 1 9 LYS H 4.000 . 4.750 4.417 4.260 4.496 . 0 0 "[ . 1 . 2]" 1
274 1 8 LYS QG 1 9 LYS H 4.000 . 4.750 3.939 3.697 4.128 . 0 0 "[ . 1 . 2]" 1
275 1 8 LYS QD 1 9 LYS H 5.000 . 6.000 5.136 3.518 5.611 . 0 0 "[ . 1 . 2]" 1
276 1 9 LYS H 1 10 CYS H 5.000 . 6.000 4.349 4.300 4.407 . 0 0 "[ . 1 . 2]" 1
277 1 9 LYS HA 1 10 CYS H 4.000 . 4.750 2.142 2.136 2.165 . 0 0 "[ . 1 . 2]" 1
278 1 9 LYS HA 1 10 CYS HB3 5.000 . 6.000 4.464 4.413 4.529 . 0 0 "[ . 1 . 2]" 1
279 1 9 LYS HA 1 10 CYS HB2 5.000 . 6.000 4.697 4.628 4.753 . 0 0 "[ . 1 . 2]" 1
280 1 9 LYS QB 1 10 CYS H 4.000 . 4.750 3.636 3.377 3.818 . 0 0 "[ . 1 . 2]" 1
281 1 9 LYS QG 1 10 CYS H 5.000 . 6.000 3.248 2.718 4.141 . 0 0 "[ . 1 . 2]" 1
282 1 10 CYS HA 1 11 PRO QD 5.000 . 6.000 1.901 1.782 2.017 0.018 19 0 "[ . 1 . 2]" 1
283 1 10 CYS HB3 1 11 PRO QD 4.000 . 4.750 4.073 3.912 4.258 . 0 0 "[ . 1 . 2]" 1
284 1 10 CYS HB2 1 11 PRO QD 5.000 . 6.000 3.618 3.387 3.870 . 0 0 "[ . 1 . 2]" 1
285 1 11 PRO HA 1 12 LEU H 5.000 . 6.000 3.228 2.854 3.520 . 0 0 "[ . 1 . 2]" 1
286 1 11 PRO HA 1 12 LEU MD2 5.000 . 6.000 5.890 5.730 6.040 0.040 20 0 "[ . 1 . 2]" 1
287 1 11 PRO QB 1 12 LEU H 5.000 . 6.000 3.509 2.809 3.946 . 0 0 "[ . 1 . 2]" 1
288 1 11 PRO QB 1 12 LEU HG 3.000 . 3.500 3.404 3.244 3.528 0.028 6 0 "[ . 1 . 2]" 1
289 1 11 PRO QB 1 12 LEU MD1 4.000 . 4.750 4.180 3.890 4.446 . 0 0 "[ . 1 . 2]" 1
290 1 11 PRO QB 1 12 LEU MD2 4.000 . 4.750 4.435 4.158 4.642 . 0 0 "[ . 1 . 2]" 1
291 1 11 PRO QG 1 12 LEU MD1 5.000 . 6.000 3.878 2.557 5.018 . 0 0 "[ . 1 . 2]" 1
292 1 11 PRO QG 1 12 LEU MD2 5.000 . 6.000 5.010 3.967 5.651 . 0 0 "[ . 1 . 2]" 1
293 1 11 PRO QD 1 12 LEU MD2 5.000 . 6.000 4.993 4.626 5.356 . 0 0 "[ . 1 . 2]" 1
294 1 12 LEU H 1 13 CYS H 4.000 . 4.750 2.118 1.798 2.585 0.002 17 0 "[ . 1 . 2]" 1
295 1 12 LEU HA 1 13 CYS H 5.000 . 6.000 3.394 3.300 3.544 . 0 0 "[ . 1 . 2]" 1
296 1 12 LEU HB3 1 13 CYS H 4.000 . 4.750 4.000 3.429 4.275 . 0 0 "[ . 1 . 2]" 1
297 1 12 LEU HB2 1 13 CYS H 3.000 . 3.500 3.217 2.448 3.517 0.017 4 0 "[ . 1 . 2]" 1
298 1 13 CYS HA 1 14 GLU H 5.000 . 6.000 2.730 2.695 2.760 . 0 0 "[ . 1 . 2]" 1
299 1 13 CYS HA 1 14 GLU QG 5.000 . 6.000 3.915 3.140 5.552 . 0 0 "[ . 1 . 2]" 1
300 1 13 CYS HB3 1 14 GLU H 4.000 . 4.750 3.497 3.481 3.534 . 0 0 "[ . 1 . 2]" 1
301 1 13 CYS HB2 1 14 GLU H 4.000 . 4.750 1.934 1.907 1.985 . 0 0 "[ . 1 . 2]" 1
302 1 13 CYS HB2 1 14 GLU QB 5.000 . 6.000 4.271 4.110 4.459 . 0 0 "[ . 1 . 2]" 1
303 1 13 CYS HB2 1 14 GLU QG 5.000 . 6.000 4.733 4.012 5.796 . 0 0 "[ . 1 . 2]" 1
304 1 14 GLU HA 1 15 LEU H 4.000 . 4.750 2.773 2.725 2.839 . 0 0 "[ . 1 . 2]" 1
305 1 14 GLU QB 1 15 LEU H 5.000 . 6.000 3.871 3.828 3.914 . 0 0 "[ . 1 . 2]" 1
306 1 15 LEU HA 1 16 MET H 3.000 . 3.500 2.237 2.177 2.367 . 0 0 "[ . 1 . 2]" 1
307 1 15 LEU HA 1 16 MET QB 4.000 . 4.750 4.172 3.879 4.538 . 0 0 "[ . 1 . 2]" 1
308 1 15 LEU HA 1 16 MET QG 5.000 . 6.000 4.389 3.423 5.695 . 0 0 "[ . 1 . 2]" 1
309 1 15 LEU HB3 1 16 MET H 4.000 . 4.750 3.484 3.087 3.828 . 0 0 "[ . 1 . 2]" 1
310 1 15 LEU HB2 1 16 MET H 4.000 . 4.750 4.257 4.062 4.353 . 0 0 "[ . 1 . 2]" 1
311 1 15 LEU HG 1 16 MET H 4.000 . 4.750 2.796 2.320 4.404 . 0 0 "[ . 1 . 2]" 1
312 1 15 LEU QD 1 16 MET H 4.000 . 4.750 3.006 1.899 3.342 . 0 0 "[ . 1 . 2]" 1
313 1 16 MET HA 1 17 PHE H 4.000 . 4.750 2.177 2.169 2.203 . 0 0 "[ . 1 . 2]" 1
314 1 16 MET HA 1 17 PHE QD 5.000 . 6.000 4.649 4.591 4.686 . 0 0 "[ . 1 . 2]" 1
315 1 16 MET HA 1 17 PHE QE 5.000 . 6.000 5.599 5.489 5.663 . 0 0 "[ . 1 . 2]" 1
316 1 16 MET ME 1 17 PHE H 5.000 . 6.000 4.767 3.772 5.259 . 0 0 "[ . 1 . 2]" 1
317 1 16 MET QB 1 17 PHE H 4.000 . 4.750 3.237 3.049 3.557 . 0 0 "[ . 1 . 2]" 1
318 1 16 MET QG 1 17 PHE H 4.000 . 4.750 3.611 2.580 4.552 . 0 0 "[ . 1 . 2]" 1
319 1 17 PHE H 1 18 PRO QD 5.000 . 6.000 4.383 4.357 4.395 . 0 0 "[ . 1 . 2]" 1
320 1 17 PHE HA 1 18 PRO QD 3.000 . 3.500 2.047 1.997 2.073 . 0 0 "[ . 1 . 2]" 1
321 1 17 PHE HB3 1 18 PRO QD 3.000 . 3.500 2.395 2.267 2.591 . 0 0 "[ . 1 . 2]" 1
322 1 17 PHE HB2 1 18 PRO QD 4.000 . 4.750 3.769 3.683 3.889 . 0 0 "[ . 1 . 2]" 1
323 1 17 PHE QD 1 18 PRO QD 4.000 . 4.750 2.756 2.692 2.839 . 0 0 "[ . 1 . 2]" 1
324 1 17 PHE QE 1 18 PRO QD 4.000 . 4.750 4.708 4.656 4.755 0.005 13 0 "[ . 1 . 2]" 1
325 1 18 PRO HA 1 19 PRO QG 4.000 . 4.750 3.932 3.801 4.002 . 0 0 "[ . 1 . 2]" 1
326 1 18 PRO HA 1 19 PRO QD 3.000 . 3.500 2.039 1.915 2.107 . 0 0 "[ . 1 . 2]" 1
327 1 18 PRO QB 1 19 PRO QD 3.000 . 3.500 2.402 2.347 2.520 . 0 0 "[ . 1 . 2]" 1
328 1 19 PRO HA 1 20 ASN H 5.000 . 6.000 3.495 3.484 3.502 . 0 0 "[ . 1 . 2]" 1
329 1 20 ASN HA 1 21 TYR H 5.000 . 6.000 3.145 3.133 3.185 . 0 0 "[ . 1 . 2]" 1
330 1 20 ASN QB 1 21 TYR H 5.000 . 6.000 3.612 3.542 3.956 . 0 0 "[ . 1 . 2]" 1
331 1 21 TYR HA 1 22 ASP H 3.000 . 3.500 2.165 2.151 2.186 . 0 0 "[ . 1 . 2]" 1
332 1 21 TYR QD 1 22 ASP HA 5.000 . 6.000 4.406 4.247 4.594 . 0 0 "[ . 1 . 2]" 1
333 1 22 ASP HA 1 23 GLN H 4.000 . 4.750 2.161 2.143 2.182 . 0 0 "[ . 1 . 2]" 1
334 1 22 ASP QB 1 23 GLN H 4.000 . 4.750 3.436 3.037 3.696 . 0 0 "[ . 1 . 2]" 1
335 1 23 GLN H 1 24 SER H 5.000 . 6.000 2.716 2.673 2.766 . 0 0 "[ . 1 . 2]" 1
336 1 23 GLN HA 1 24 SER H 3.000 . 3.500 3.526 3.499 3.536 0.036 15 0 "[ . 1 . 2]" 1
337 1 23 GLN QB 1 24 SER H 4.000 . 4.750 2.722 2.523 3.535 . 0 0 "[ . 1 . 2]" 1
338 1 23 GLN QG 1 24 SER H 4.000 . 4.750 4.083 1.953 4.527 . 0 0 "[ . 1 . 2]" 1
339 1 24 SER H 1 25 LYS H 3.000 . 3.500 2.752 2.717 2.781 . 0 0 "[ . 1 . 2]" 1
340 1 24 SER H 1 25 LYS QB 5.000 . 6.000 4.533 4.426 4.725 . 0 0 "[ . 1 . 2]" 1
341 1 24 SER H 1 25 LYS QG 5.000 . 6.000 5.271 4.436 5.942 . 0 0 "[ . 1 . 2]" 1
342 1 24 SER HA 1 25 LYS H 4.000 . 4.750 3.532 3.518 3.542 . 0 0 "[ . 1 . 2]" 1
343 1 24 SER QB 1 25 LYS H 3.000 . 3.500 2.746 2.488 3.271 . 0 0 "[ . 1 . 2]" 1
344 1 24 SER QB 1 25 LYS QG 5.000 . 6.000 3.919 3.308 4.400 . 0 0 "[ . 1 . 2]" 1
345 1 25 LYS H 1 26 PHE H 3.000 . 3.500 2.504 2.475 2.526 . 0 0 "[ . 1 . 2]" 1
346 1 25 LYS H 1 26 PHE HB3 4.000 . 4.750 4.780 4.768 4.789 0.039 20 0 "[ . 1 . 2]" 1
347 1 25 LYS H 1 26 PHE HB2 5.000 . 6.000 4.813 4.750 4.878 . 0 0 "[ . 1 . 2]" 1
348 1 25 LYS HA 1 26 PHE H 4.000 . 4.750 3.495 3.493 3.497 . 0 0 "[ . 1 . 2]" 1
349 1 25 LYS QB 1 26 PHE H 4.000 . 4.750 2.749 2.669 2.803 . 0 0 "[ . 1 . 2]" 1
350 1 25 LYS QG 1 26 PHE H 4.000 . 4.750 4.377 4.082 4.572 . 0 0 "[ . 1 . 2]" 1
351 1 26 PHE H 1 27 GLU H 3.000 . 3.500 2.565 2.537 2.590 . 0 0 "[ . 1 . 2]" 1
352 1 26 PHE H 1 27 GLU HA 5.000 . 6.000 5.189 5.165 5.210 . 0 0 "[ . 1 . 2]" 1
353 1 26 PHE HA 1 27 GLU H 4.000 . 4.750 3.527 3.520 3.532 . 0 0 "[ . 1 . 2]" 1
354 1 26 PHE HB3 1 27 GLU H 4.000 . 4.750 2.617 2.592 2.647 . 0 0 "[ . 1 . 2]" 1
355 1 26 PHE HB2 1 27 GLU H 4.000 . 4.750 3.848 3.824 3.879 . 0 0 "[ . 1 . 2]" 1
356 1 26 PHE QD 1 27 GLU H 4.000 . 4.750 4.012 3.923 4.089 . 0 0 "[ . 1 . 2]" 1
357 1 26 PHE QD 1 27 GLU HA 4.000 . 4.750 4.207 4.113 4.292 . 0 0 "[ . 1 . 2]" 1
358 1 26 PHE QD 1 27 GLU QB 5.000 . 6.000 5.144 4.965 5.309 . 0 0 "[ . 1 . 2]" 1
359 1 26 PHE QD 1 27 GLU QG 4.000 . 4.750 3.885 3.704 4.455 . 0 0 "[ . 1 . 2]" 1
360 1 26 PHE QE 1 27 GLU H 5.000 . 6.000 5.922 5.843 6.003 0.003 1 0 "[ . 1 . 2]" 1
361 1 26 PHE QE 1 27 GLU HA 5.000 . 6.000 5.401 5.283 5.507 . 0 0 "[ . 1 . 2]" 1
362 1 26 PHE QE 1 27 GLU QG 5.000 . 6.000 5.402 5.257 5.831 . 0 0 "[ . 1 . 2]" 1
363 1 27 GLU H 1 28 GLU H 3.000 . 3.500 2.628 2.602 2.674 . 0 0 "[ . 1 . 2]" 1
364 1 27 GLU HA 1 28 GLU H 3.000 . 3.500 3.522 3.511 3.533 0.033 17 0 "[ . 1 . 2]" 1
365 1 27 GLU QB 1 28 GLU H 3.000 . 3.500 2.608 2.477 2.726 . 0 0 "[ . 1 . 2]" 1
366 1 27 GLU QG 1 28 GLU H 4.000 . 4.750 4.281 4.106 4.431 . 0 0 "[ . 1 . 2]" 1
367 1 28 GLU H 1 29 HIS H 3.000 . 3.500 2.608 2.543 2.679 . 0 0 "[ . 1 . 2]" 1
368 1 28 GLU H 1 29 HIS HB3 5.000 . 6.000 4.481 4.418 4.569 . 0 0 "[ . 1 . 2]" 1
369 1 28 GLU H 1 29 HIS HB2 5.000 . 6.000 5.421 5.319 5.491 . 0 0 "[ . 1 . 2]" 1
370 1 28 GLU HA 1 29 HIS H 3.000 . 3.500 3.526 3.520 3.534 0.034 7 0 "[ . 1 . 2]" 1
371 1 28 GLU QB 1 29 HIS H 3.000 . 3.500 2.626 2.470 2.696 . 0 0 "[ . 1 . 2]" 1
372 1 28 GLU QB 1 29 HIS HB2 5.000 . 6.000 4.389 4.322 4.440 . 0 0 "[ . 1 . 2]" 1
373 1 28 GLU QG 1 29 HIS H 4.000 . 4.750 4.303 3.979 4.515 . 0 0 "[ . 1 . 2]" 1
374 1 29 HIS H 1 30 VAL H 3.000 . 3.500 2.655 2.597 2.711 . 0 0 "[ . 1 . 2]" 1
375 1 29 HIS H 1 30 VAL HA 5.000 . 6.000 5.268 5.220 5.311 . 0 0 "[ . 1 . 2]" 1
376 1 29 HIS H 1 30 VAL HB 4.000 . 4.750 4.773 4.757 4.781 0.031 14 0 "[ . 1 . 2]" 1
377 1 29 HIS H 1 30 VAL MG1 5.000 . 6.000 5.853 5.824 5.865 . 0 0 "[ . 1 . 2]" 1
378 1 29 HIS H 1 30 VAL MG2 5.000 . 6.000 4.159 4.060 4.352 . 0 0 "[ . 1 . 2]" 1
379 1 29 HIS HA 1 30 VAL H 4.000 . 4.750 3.541 3.535 3.551 . 0 0 "[ . 1 . 2]" 1
380 1 29 HIS HB3 1 30 VAL H 4.000 . 4.750 2.648 2.597 2.722 . 0 0 "[ . 1 . 2]" 1
381 1 29 HIS HB2 1 30 VAL H 4.000 . 4.750 3.966 3.936 4.016 . 0 0 "[ . 1 . 2]" 1
382 1 29 HIS HB2 1 30 VAL MG2 5.000 . 6.000 4.814 4.731 4.971 . 0 0 "[ . 1 . 2]" 1
383 1 29 HIS HD2 1 30 VAL H 4.000 . 4.750 2.786 2.721 2.869 . 0 0 "[ . 1 . 2]" 1
384 1 29 HIS HD2 1 30 VAL HA 3.000 . 3.500 2.998 2.918 3.073 . 0 0 "[ . 1 . 2]" 1
385 1 29 HIS HD2 1 30 VAL HB 4.000 . 4.750 4.352 4.257 4.452 . 0 0 "[ . 1 . 2]" 1
386 1 29 HIS HD2 1 30 VAL MG1 4.000 . 4.750 4.279 4.178 4.417 . 0 0 "[ . 1 . 2]" 1
387 1 29 HIS HD2 1 30 VAL MG2 3.000 . 3.500 1.951 1.922 2.033 . 0 0 "[ . 1 . 2]" 1
388 1 30 VAL H 1 31 GLU H 3.000 . 3.500 2.678 2.610 2.773 . 0 0 "[ . 1 . 2]" 1
389 1 30 VAL H 1 31 GLU HA 5.000 . 6.000 5.295 5.242 5.359 . 0 0 "[ . 1 . 2]" 1
390 1 30 VAL H 1 31 GLU QB 4.000 . 4.750 4.641 4.481 4.745 . 0 0 "[ . 1 . 2]" 1
391 1 30 VAL H 1 31 GLU QG 4.000 . 4.750 4.556 4.448 4.719 . 0 0 "[ . 1 . 2]" 1
392 1 30 VAL HA 1 31 GLU H 4.000 . 4.750 3.533 3.512 3.558 . 0 0 "[ . 1 . 2]" 1
393 1 30 VAL HB 1 31 GLU H 3.000 . 3.500 2.560 2.352 2.700 . 0 0 "[ . 1 . 2]" 1
394 1 30 VAL MG1 1 31 GLU H 4.000 . 4.750 3.421 3.255 3.542 . 0 0 "[ . 1 . 2]" 1
395 1 30 VAL MG1 1 31 GLU HA 4.000 . 4.750 3.447 3.360 3.562 . 0 0 "[ . 1 . 2]" 1
396 1 30 VAL MG2 1 31 GLU H 4.000 . 4.750 3.809 3.730 3.908 . 0 0 "[ . 1 . 2]" 1
397 1 30 VAL MG2 1 31 GLU HA 5.000 . 6.000 5.400 5.374 5.429 . 0 0 "[ . 1 . 2]" 1
398 1 31 GLU H 1 32 SER H 3.000 . 3.500 2.512 2.493 2.594 . 0 0 "[ . 1 . 2]" 1
399 1 31 GLU HA 1 32 SER H 4.000 . 4.750 3.475 3.462 3.483 . 0 0 "[ . 1 . 2]" 1
400 1 31 GLU QB 1 32 SER H 4.000 . 4.750 2.985 2.857 3.585 . 0 0 "[ . 1 . 2]" 1
401 1 31 GLU QG 1 32 SER H 5.000 . 6.000 3.966 2.139 4.348 . 0 0 "[ . 1 . 2]" 1
402 1 32 SER H 1 33 HIS H 3.000 . 3.500 2.697 2.637 2.725 . 0 0 "[ . 1 . 2]" 1
403 1 32 SER H 1 33 HIS HA 5.000 . 6.000 5.318 5.278 5.338 . 0 0 "[ . 1 . 2]" 1
404 1 32 SER H 1 33 HIS HB2 5.000 . 6.000 5.095 4.957 5.170 . 0 0 "[ . 1 . 2]" 1
405 1 32 SER H 1 33 HIS HD2 4.000 . 4.750 4.023 3.848 4.212 . 0 0 "[ . 1 . 2]" 1
406 1 32 SER HA 1 33 HIS H 4.000 . 4.750 3.510 3.462 3.524 . 0 0 "[ . 1 . 2]" 1
407 1 32 SER HG 1 33 HIS H 5.000 . 6.000 4.659 3.489 5.198 . 0 0 "[ . 1 . 2]" 1
408 1 32 SER QB 1 33 HIS H 4.000 . 4.750 2.726 2.590 3.389 . 0 0 "[ . 1 . 2]" 1
409 1 33 HIS HA 1 34 TRP H 4.000 . 4.750 3.459 3.446 3.466 . 0 0 "[ . 1 . 2]" 1
410 1 33 HIS HB3 1 34 TRP H 4.000 . 4.750 4.075 3.988 4.132 . 0 0 "[ . 1 . 2]" 1
411 1 33 HIS HB2 1 34 TRP H 4.000 . 4.750 3.006 2.973 3.065 . 0 0 "[ . 1 . 2]" 1
412 1 33 HIS HD2 1 34 TRP H 5.000 . 6.000 4.461 4.341 4.663 . 0 0 "[ . 1 . 2]" 1
413 1 34 TRP H 1 35 LYS H 4.000 . 4.750 4.623 4.594 4.633 . 0 0 "[ . 1 . 2]" 1
414 1 34 TRP HA 1 35 LYS H 3.000 . 3.500 2.360 2.301 2.404 . 0 0 "[ . 1 . 2]" 1
415 1 34 TRP HD1 1 35 LYS H 5.000 . 6.000 4.888 4.855 4.953 . 0 0 "[ . 1 . 2]" 1
416 1 34 TRP HE3 1 35 LYS H 4.000 . 4.750 4.582 4.456 4.693 . 0 0 "[ . 1 . 2]" 1
417 1 34 TRP QB 1 35 LYS H 3.000 . 3.500 2.475 2.376 2.616 . 0 0 "[ . 1 . 2]" 1
418 1 35 LYS H 1 36 VAL H 4.000 . 4.750 4.389 4.249 4.414 . 0 0 "[ . 1 . 2]" 1
419 1 35 LYS H 1 36 VAL MG2 5.000 . 6.000 4.037 3.902 4.107 . 0 0 "[ . 1 . 2]" 1
420 1 35 LYS HA 1 36 VAL H 2.500 . 2.800 2.171 2.164 2.206 . 0 0 "[ . 1 . 2]" 1
421 1 35 LYS HB2 1 36 VAL H 4.000 . 4.750 4.502 4.472 4.544 . 0 0 "[ . 1 . 2]" 1
422 1 35 LYS QG 1 36 VAL H 4.000 . 4.750 4.021 3.856 4.205 . 0 0 "[ . 1 . 2]" 1
423 1 35 LYS QD 1 36 VAL H 5.000 . 6.000 5.583 5.514 5.692 . 0 0 "[ . 1 . 2]" 1
424 1 36 VAL H 1 37 CYS H 4.000 . 4.750 4.402 4.388 4.447 . 0 0 "[ . 1 . 2]" 1
425 1 36 VAL HA 1 37 CYS H 3.000 . 3.500 2.128 2.121 2.136 . 0 0 "[ . 1 . 2]" 1
426 1 36 VAL HB 1 37 CYS H 4.000 . 4.750 4.003 3.948 4.028 . 0 0 "[ . 1 . 2]" 1
427 1 36 VAL MG1 1 37 CYS H 4.000 . 4.750 2.209 2.125 2.394 . 0 0 "[ . 1 . 2]" 1
428 1 36 VAL MG1 1 37 CYS HB3 5.000 . 6.000 3.750 3.675 3.861 . 0 0 "[ . 1 . 2]" 1
429 1 36 VAL MG1 1 37 CYS HB2 5.000 . 6.000 4.396 4.346 4.487 . 0 0 "[ . 1 . 2]" 1
430 1 36 VAL MG2 1 37 CYS H 4.000 . 4.750 3.979 3.942 4.024 . 0 0 "[ . 1 . 2]" 1
431 1 36 VAL MG2 1 37 CYS HB3 5.000 . 6.000 5.971 5.914 6.008 0.008 12 0 "[ . 1 . 2]" 1
432 1 36 VAL MG2 1 37 CYS HB2 5.000 . 6.000 6.067 6.057 6.081 0.081 17 0 "[ . 1 . 2]" 1
433 1 37 CYS H 1 38 PRO QD 5.000 . 6.000 4.325 4.317 4.333 . 0 0 "[ . 1 . 2]" 1
434 1 37 CYS HA 1 38 PRO QB 4.000 . 4.750 4.475 4.465 4.498 . 0 0 "[ . 1 . 2]" 1
435 1 37 CYS HA 1 38 PRO QG 4.000 . 4.750 3.904 3.898 3.911 . 0 0 "[ . 1 . 2]" 1
436 1 37 CYS HA 1 38 PRO QD 4.000 . 4.750 1.958 1.947 1.969 . 0 0 "[ . 1 . 2]" 1
437 1 37 CYS HB3 1 38 PRO QD 5.000 . 6.000 4.020 4.005 4.032 . 0 0 "[ . 1 . 2]" 1
438 1 37 CYS HB2 1 38 PRO QD 4.000 . 4.750 3.822 3.787 3.864 . 0 0 "[ . 1 . 2]" 1
439 1 38 PRO HA 1 39 MET H 4.000 . 4.750 3.411 3.399 3.421 . 0 0 "[ . 1 . 2]" 1
440 1 38 PRO QB 1 39 MET H 4.000 . 4.750 3.631 3.615 3.646 . 0 0 "[ . 1 . 2]" 1
441 1 38 PRO QG 1 39 MET H 4.000 . 4.750 3.011 2.958 3.099 . 0 0 "[ . 1 . 2]" 1
442 1 38 PRO QD 1 39 MET H 4.000 . 4.750 2.356 2.316 2.383 . 0 0 "[ . 1 . 2]" 1
443 1 39 MET H 1 40 CYS H 3.000 . 3.500 2.335 2.325 2.347 . 0 0 "[ . 1 . 2]" 1
444 1 39 MET HA 1 40 CYS H 4.000 . 4.750 3.476 3.473 3.481 . 0 0 "[ . 1 . 2]" 1
445 1 39 MET HB3 1 40 CYS H 4.000 . 4.750 3.902 3.843 3.974 . 0 0 "[ . 1 . 2]" 1
446 1 39 MET HB2 1 40 CYS H 4.000 . 4.750 2.984 2.942 3.018 . 0 0 "[ . 1 . 2]" 1
447 1 39 MET ME 1 40 CYS H 5.000 . 6.000 5.847 5.671 6.005 0.005 1 0 "[ . 1 . 2]" 1
448 1 39 MET QG 1 40 CYS H 4.000 . 4.750 4.216 4.059 4.338 . 0 0 "[ . 1 . 2]" 1
449 1 40 CYS H 1 41 SER H 3.000 . 3.500 1.811 1.790 1.898 0.010 16 0 "[ . 1 . 2]" 1
450 1 40 CYS H 1 41 SER HA 4.000 . 4.750 4.027 3.988 4.050 . 0 0 "[ . 1 . 2]" 1
451 1 40 CYS HA 1 41 SER H 4.000 . 4.750 3.465 3.430 3.525 . 0 0 "[ . 1 . 2]" 1
452 1 40 CYS HB3 1 41 SER H 4.000 . 4.750 4.058 3.856 4.144 . 0 0 "[ . 1 . 2]" 1
453 1 40 CYS HB2 1 41 SER H 4.000 . 4.750 4.067 3.842 4.176 . 0 0 "[ . 1 . 2]" 1
454 1 40 CYS HB2 1 41 SER HA 5.000 . 6.000 5.789 5.687 5.853 . 0 0 "[ . 1 . 2]" 1
455 1 41 SER H 1 42 GLU H 4.000 . 4.750 2.375 2.109 2.463 . 0 0 "[ . 1 . 2]" 1
456 1 41 SER H 1 42 GLU HA 5.000 . 6.000 4.971 4.785 5.032 . 0 0 "[ . 1 . 2]" 1
457 1 41 SER HA 1 42 GLU H 4.000 . 4.750 2.800 2.726 2.879 . 0 0 "[ . 1 . 2]" 1
458 1 41 SER QB 1 42 GLU H 4.000 . 4.750 3.915 3.850 4.080 . 0 0 "[ . 1 . 2]" 1
459 1 42 GLU H 1 43 GLN H 4.000 . 4.750 4.588 4.469 4.610 . 0 0 "[ . 1 . 2]" 1
460 1 42 GLU HA 1 43 GLN H 2.500 . 2.800 2.267 2.167 2.289 . 0 0 "[ . 1 . 2]" 1
461 1 42 GLU HA 1 43 GLN HA 5.000 . 6.000 4.361 4.355 4.369 . 0 0 "[ . 1 . 2]" 1
462 1 42 GLU HA 1 43 GLN QB 4.000 . 4.750 4.079 3.995 4.427 . 0 0 "[ . 1 . 2]" 1
463 1 42 GLU HA 1 43 GLN QG 4.000 . 4.750 4.533 3.773 4.766 0.016 12 0 "[ . 1 . 2]" 1
464 1 42 GLU QB 1 43 GLN H 3.000 . 3.500 3.207 3.001 3.488 . 0 0 "[ . 1 . 2]" 1
465 1 42 GLU QG 1 43 GLN H 3.000 . 3.500 2.956 1.978 3.509 0.009 8 0 "[ . 1 . 2]" 1
466 1 43 GLN H 1 44 PHE H 5.000 . 6.000 4.423 4.418 4.448 . 0 0 "[ . 1 . 2]" 1
467 1 43 GLN H 1 44 PHE QD 5.000 . 6.000 4.827 4.675 4.965 . 0 0 "[ . 1 . 2]" 1
468 1 43 GLN H 1 44 PHE QE 5.000 . 6.000 4.956 4.746 5.084 . 0 0 "[ . 1 . 2]" 1
469 1 43 GLN HA 1 44 PHE H 3.000 . 3.500 2.116 2.111 2.122 . 0 0 "[ . 1 . 2]" 1
470 1 43 GLN HA 1 44 PHE QD 4.000 . 4.750 3.412 2.793 3.624 . 0 0 "[ . 1 . 2]" 1
471 1 43 GLN HA 1 44 PHE QE 5.000 . 6.000 4.714 3.946 4.876 . 0 0 "[ . 1 . 2]" 1
472 1 43 GLN HE22 1 44 PHE H 5.000 . 6.000 5.145 4.713 6.026 0.026 15 0 "[ . 1 . 2]" 1
473 1 43 GLN QB 1 44 PHE H 4.000 . 4.750 3.259 3.018 3.348 . 0 0 "[ . 1 . 2]" 1
474 1 43 GLN QG 1 44 PHE H 4.000 . 4.750 3.574 3.360 4.159 . 0 0 "[ . 1 . 2]" 1
475 1 44 PHE H 1 45 PRO QD 5.000 . 6.000 4.126 4.041 4.343 . 0 0 "[ . 1 . 2]" 1
476 1 44 PHE HA 1 45 PRO QB 5.000 . 6.000 4.657 4.646 4.716 . 0 0 "[ . 1 . 2]" 1
477 1 44 PHE HA 1 45 PRO QG 4.000 . 4.750 3.820 3.782 3.850 . 0 0 "[ . 1 . 2]" 1
478 1 44 PHE HA 1 45 PRO QD 3.000 . 3.500 1.913 1.883 1.945 . 0 0 "[ . 1 . 2]" 1
479 1 44 PHE HB3 1 45 PRO QD 4.000 . 4.750 3.214 2.542 3.387 . 0 0 "[ . 1 . 2]" 1
480 1 44 PHE HB2 1 45 PRO QD 4.000 . 4.750 4.205 3.716 4.294 . 0 0 "[ . 1 . 2]" 1
481 1 44 PHE QD 1 45 PRO QG 5.000 . 6.000 5.470 5.358 5.588 . 0 0 "[ . 1 . 2]" 1
482 1 44 PHE QD 1 45 PRO QD 4.000 . 4.750 3.632 3.505 3.759 . 0 0 "[ . 1 . 2]" 1
483 1 44 PHE QE 1 45 PRO QD 5.000 . 6.000 5.337 5.259 5.456 . 0 0 "[ . 1 . 2]" 1
484 1 45 PRO HA 1 46 PRO QG 4.000 . 4.750 3.970 3.836 4.033 . 0 0 "[ . 1 . 2]" 1
485 1 45 PRO HA 1 46 PRO QD 2.500 . 2.800 2.070 1.931 2.132 . 0 0 "[ . 1 . 2]" 1
486 1 45 PRO QB 1 46 PRO QD 3.000 . 3.500 2.285 2.160 2.550 . 0 0 "[ . 1 . 2]" 1
487 1 45 PRO QG 1 46 PRO QD 4.000 . 4.750 3.899 3.822 4.016 . 0 0 "[ . 1 . 2]" 1
488 1 45 PRO QD 1 46 PRO QD 4.000 . 4.750 4.631 4.605 4.657 . 0 0 "[ . 1 . 2]" 1
489 1 46 PRO HA 1 47 ASP H 3.000 . 3.500 3.489 3.473 3.506 0.006 15 0 "[ . 1 . 2]" 1
490 1 46 PRO QB 1 47 ASP H 3.000 . 3.500 3.194 2.887 3.364 . 0 0 "[ . 1 . 2]" 1
491 1 46 PRO QG 1 47 ASP H 5.000 . 6.000 3.042 2.480 4.021 . 0 0 "[ . 1 . 2]" 1
492 1 46 PRO QD 1 47 ASP H 3.000 . 3.500 2.831 2.760 2.942 . 0 0 "[ . 1 . 2]" 1
493 1 47 ASP H 1 48 TYR H 3.000 . 3.500 2.432 2.396 2.521 . 0 0 "[ . 1 . 2]" 1
494 1 47 ASP HA 1 48 TYR H 4.000 . 4.750 3.367 3.284 3.380 . 0 0 "[ . 1 . 2]" 1
495 1 47 ASP QB 1 48 TYR H 4.000 . 4.750 3.248 3.184 3.752 . 0 0 "[ . 1 . 2]" 1
496 1 48 TYR H 1 49 ASP H 5.000 . 6.000 4.614 4.567 4.637 . 0 0 "[ . 1 . 2]" 1
497 1 48 TYR HA 1 49 ASP H 3.000 . 3.500 2.276 2.180 2.413 . 0 0 "[ . 1 . 2]" 1
498 1 48 TYR HB3 1 49 ASP H 4.000 . 4.750 3.466 3.126 3.750 . 0 0 "[ . 1 . 2]" 1
499 1 48 TYR HB2 1 49 ASP H 4.000 . 4.750 4.198 3.987 4.396 . 0 0 "[ . 1 . 2]" 1
500 1 48 TYR QD 1 49 ASP H 4.000 . 4.750 3.102 2.743 3.421 . 0 0 "[ . 1 . 2]" 1
501 1 48 TYR QD 1 49 ASP HA 5.000 . 6.000 4.805 4.596 4.978 . 0 0 "[ . 1 . 2]" 1
502 1 48 TYR QD 1 49 ASP QB 5.000 . 6.000 4.088 3.938 4.277 . 0 0 "[ . 1 . 2]" 1
503 1 48 TYR QE 1 49 ASP H 5.000 . 6.000 4.265 3.911 4.643 . 0 0 "[ . 1 . 2]" 1
504 1 49 ASP H 1 50 GLN H 5.000 . 6.000 4.493 4.441 4.533 . 0 0 "[ . 1 . 2]" 1
505 1 49 ASP HA 1 50 GLN H 3.000 . 3.500 2.148 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
506 1 49 ASP QB 1 50 GLN H 4.000 . 4.750 3.502 3.210 3.763 . 0 0 "[ . 1 . 2]" 1
507 1 50 GLN H 1 51 GLN H 4.000 . 4.750 2.724 2.714 2.734 . 0 0 "[ . 1 . 2]" 1
508 1 50 GLN H 1 51 GLN HA 5.000 . 6.000 5.301 5.280 5.317 . 0 0 "[ . 1 . 2]" 1
509 1 50 GLN HA 1 51 GLN H 3.000 . 3.500 3.500 3.480 3.514 0.014 4 0 "[ . 1 . 2]" 1
510 1 50 GLN QB 1 51 GLN H 4.000 . 4.750 2.802 2.719 2.888 . 0 0 "[ . 1 . 2]" 1
511 1 50 GLN QG 1 51 GLN H 4.000 . 4.750 4.084 3.622 4.573 . 0 0 "[ . 1 . 2]" 1
512 1 51 GLN H 1 52 VAL H 3.000 . 3.500 2.724 2.705 2.748 . 0 0 "[ . 1 . 2]" 1
513 1 51 GLN H 1 52 VAL HA 5.000 . 6.000 5.327 5.313 5.344 . 0 0 "[ . 1 . 2]" 1
514 1 51 GLN H 1 52 VAL MG1 5.000 . 6.000 5.980 5.963 6.000 . 0 0 "[ . 1 . 2]" 1
515 1 51 GLN H 1 52 VAL MG2 5.000 . 6.000 4.047 3.983 4.103 . 0 0 "[ . 1 . 2]" 1
516 1 51 GLN HA 1 52 VAL H 4.000 . 4.750 3.547 3.542 3.550 . 0 0 "[ . 1 . 2]" 1
517 1 51 GLN HA 1 52 VAL MG2 5.000 . 6.000 4.818 4.769 4.880 . 0 0 "[ . 1 . 2]" 1
518 1 51 GLN QB 1 52 VAL H 3.000 . 3.500 2.509 2.438 2.626 . 0 0 "[ . 1 . 2]" 1
519 1 51 GLN QB 1 52 VAL MG2 5.000 . 6.000 2.931 2.770 3.098 . 0 0 "[ . 1 . 2]" 1
520 1 51 GLN QG 1 52 VAL H 4.000 . 4.750 4.102 3.571 4.419 . 0 0 "[ . 1 . 2]" 1
521 1 52 VAL H 1 53 PHE H 3.000 . 3.500 2.599 2.564 2.636 . 0 0 "[ . 1 . 2]" 1
522 1 52 VAL HA 1 53 PHE H 4.000 . 4.750 3.532 3.524 3.544 . 0 0 "[ . 1 . 2]" 1
523 1 52 VAL HB 1 53 PHE H 4.000 . 4.750 2.606 2.529 2.695 . 0 0 "[ . 1 . 2]" 1
524 1 52 VAL MG1 1 53 PHE H 5.000 . 6.000 3.623 3.561 3.708 . 0 0 "[ . 1 . 2]" 1
525 1 52 VAL MG2 1 53 PHE H 5.000 . 6.000 3.705 3.650 3.739 . 0 0 "[ . 1 . 2]" 1
526 1 53 PHE H 1 54 GLU H 3.000 . 3.500 2.716 2.672 2.771 . 0 0 "[ . 1 . 2]" 1
527 1 53 PHE H 1 54 GLU HA 5.000 . 6.000 5.299 5.264 5.343 . 0 0 "[ . 1 . 2]" 1
528 1 53 PHE H 1 54 GLU QB 5.000 . 6.000 4.426 4.357 4.582 . 0 0 "[ . 1 . 2]" 1
529 1 53 PHE HA 1 54 GLU H 4.000 . 4.750 3.562 3.560 3.567 . 0 0 "[ . 1 . 2]" 1
530 1 53 PHE HB3 1 54 GLU H 3.000 . 3.500 2.439 2.423 2.472 . 0 0 "[ . 1 . 2]" 1
531 1 53 PHE HB2 1 54 GLU H 4.000 . 4.750 3.849 3.838 3.871 . 0 0 "[ . 1 . 2]" 1
532 1 53 PHE QD 1 54 GLU H 4.000 . 4.750 3.573 3.486 3.610 . 0 0 "[ . 1 . 2]" 1
533 1 53 PHE QD 1 54 GLU HA 4.000 . 4.750 4.097 4.068 4.133 . 0 0 "[ . 1 . 2]" 1
534 1 53 PHE QD 1 54 GLU QB 4.000 . 4.750 4.766 4.753 4.788 0.038 1 0 "[ . 1 . 2]" 1
535 1 53 PHE QD 1 54 GLU QG 3.000 . 3.500 3.420 3.070 3.516 0.016 4 0 "[ . 1 . 2]" 1
536 1 53 PHE QE 1 54 GLU H 5.000 . 6.000 5.299 5.226 5.330 . 0 0 "[ . 1 . 2]" 1
537 1 53 PHE QE 1 54 GLU HA 4.000 . 4.750 4.751 4.699 4.766 0.016 2 0 "[ . 1 . 2]" 1
538 1 53 PHE QE 1 54 GLU QG 5.000 . 6.000 4.395 4.186 4.612 . 0 0 "[ . 1 . 2]" 1
539 1 54 GLU H 1 55 ARG H 3.000 . 3.500 2.764 2.691 2.814 . 0 0 "[ . 1 . 2]" 1
540 1 54 GLU H 1 55 ARG HA 5.000 . 6.000 5.350 5.300 5.386 . 0 0 "[ . 1 . 2]" 1
541 1 54 GLU H 1 55 ARG QB 4.000 . 4.750 4.649 4.373 4.799 0.049 19 0 "[ . 1 . 2]" 1
542 1 54 GLU H 1 55 ARG QG 5.000 . 6.000 4.812 4.375 5.411 . 0 0 "[ . 1 . 2]" 1
543 1 54 GLU HA 1 55 ARG H 4.000 . 4.750 3.536 3.508 3.553 . 0 0 "[ . 1 . 2]" 1
544 1 54 GLU QB 1 55 ARG H 3.000 . 3.500 2.660 2.578 2.733 . 0 0 "[ . 1 . 2]" 1
545 1 54 GLU QG 1 55 ARG H 4.000 . 4.750 4.346 4.282 4.403 . 0 0 "[ . 1 . 2]" 1
546 1 55 ARG H 1 56 HIS H 3.000 . 3.500 2.615 2.559 2.678 . 0 0 "[ . 1 . 2]" 1
547 1 55 ARG HA 1 56 HIS H 4.000 . 4.750 3.525 3.518 3.544 . 0 0 "[ . 1 . 2]" 1
548 1 55 ARG QB 1 56 HIS H 4.000 . 4.750 3.092 2.500 3.449 . 0 0 "[ . 1 . 2]" 1
549 1 55 ARG QG 1 56 HIS H 4.000 . 4.750 2.963 1.919 4.417 . 0 0 "[ . 1 . 2]" 1
550 1 55 ARG QD 1 56 HIS H 4.000 . 4.750 4.256 3.279 4.766 0.016 9 0 "[ . 1 . 2]" 1
551 1 56 HIS H 1 57 VAL H 3.000 . 3.500 2.691 2.638 2.767 . 0 0 "[ . 1 . 2]" 1
552 1 56 HIS H 1 57 VAL MG1 5.000 . 6.000 5.917 5.884 5.977 . 0 0 "[ . 1 . 2]" 1
553 1 56 HIS H 1 57 VAL MG2 5.000 . 6.000 3.808 3.759 3.863 . 0 0 "[ . 1 . 2]" 1
554 1 56 HIS HA 1 57 VAL H 4.000 . 4.750 3.563 3.556 3.571 . 0 0 "[ . 1 . 2]" 1
555 1 56 HIS HB3 1 57 VAL H 4.000 . 4.750 2.641 2.593 2.698 . 0 0 "[ . 1 . 2]" 1
556 1 56 HIS HB3 1 57 VAL MG2 5.000 . 6.000 3.184 3.102 3.256 . 0 0 "[ . 1 . 2]" 1
557 1 56 HIS HB2 1 57 VAL H 4.000 . 4.750 3.985 3.954 4.019 . 0 0 "[ . 1 . 2]" 1
558 1 56 HIS HB2 1 57 VAL MG2 5.000 . 6.000 4.599 4.543 4.643 . 0 0 "[ . 1 . 2]" 1
559 1 56 HIS HD2 1 57 VAL H 4.000 . 4.750 2.861 2.800 2.941 . 0 0 "[ . 1 . 2]" 1
560 1 56 HIS HD2 1 57 VAL HA 3.000 . 3.500 2.858 2.800 2.932 . 0 0 "[ . 1 . 2]" 1
561 1 56 HIS HD2 1 57 VAL HB 4.000 . 4.750 4.576 4.507 4.650 . 0 0 "[ . 1 . 2]" 1
562 1 56 HIS HD2 1 57 VAL MG1 5.000 . 6.000 3.533 3.398 3.631 . 0 0 "[ . 1 . 2]" 1
563 1 56 HIS HD2 1 57 VAL MG2 4.000 . 4.750 2.024 1.951 2.175 . 0 0 "[ . 1 . 2]" 1
564 1 57 VAL H 1 58 GLN H 3.000 . 3.500 2.565 2.518 2.684 . 0 0 "[ . 1 . 2]" 1
565 1 57 VAL H 1 58 GLN QB 4.000 . 4.750 4.408 4.358 4.484 . 0 0 "[ . 1 . 2]" 1
566 1 57 VAL HA 1 58 GLN H 4.000 . 4.750 3.509 3.480 3.545 . 0 0 "[ . 1 . 2]" 1
567 1 57 VAL HB 1 58 GLN H 3.000 . 3.500 2.752 2.416 2.961 . 0 0 "[ . 1 . 2]" 1
568 1 57 VAL MG1 1 58 GLN H 4.000 . 4.750 3.986 3.771 4.126 . 0 0 "[ . 1 . 2]" 1
569 1 57 VAL MG1 1 58 GLN HA 4.000 . 4.750 4.358 4.193 4.516 . 0 0 "[ . 1 . 2]" 1
570 1 57 VAL MG1 1 58 GLN QB 5.000 . 6.000 5.315 5.164 5.430 . 0 0 "[ . 1 . 2]" 1
571 1 57 VAL MG2 1 58 GLN H 5.000 . 6.000 3.377 3.191 3.482 . 0 0 "[ . 1 . 2]" 1
572 1 57 VAL MG2 1 58 GLN HA 5.000 . 6.000 5.148 5.040 5.187 . 0 0 "[ . 1 . 2]" 1
573 1 57 VAL MG2 1 58 GLN QB 5.000 . 6.000 4.904 4.753 4.980 . 0 0 "[ . 1 . 2]" 1
574 1 58 GLN H 1 59 THR H 3.000 . 3.500 2.555 2.518 2.673 . 0 0 "[ . 1 . 2]" 1
575 1 58 GLN H 1 59 THR HA 5.000 . 6.000 5.153 5.125 5.252 . 0 0 "[ . 1 . 2]" 1
576 1 58 GLN H 1 59 THR MG 5.000 . 6.000 5.090 3.785 5.825 . 0 0 "[ . 1 . 2]" 1
577 1 58 GLN HA 1 59 THR H 3.000 . 3.500 3.492 3.476 3.514 0.014 10 0 "[ . 1 . 2]" 1
578 1 58 GLN QB 1 59 THR H 3.000 . 3.500 2.781 2.749 2.813 . 0 0 "[ . 1 . 2]" 1
579 1 58 GLN QG 1 59 THR H 4.000 . 4.750 4.325 4.265 4.404 . 0 0 "[ . 1 . 2]" 1
580 1 59 THR H 1 60 HIS H 3.000 . 3.500 2.638 2.620 2.663 . 0 0 "[ . 1 . 2]" 1
581 1 59 THR HA 1 60 HIS H 4.000 . 4.750 3.451 3.443 3.457 . 0 0 "[ . 1 . 2]" 1
582 1 59 THR HA 1 60 HIS HD2 5.000 . 6.000 6.057 6.037 6.081 0.081 19 0 "[ . 1 . 2]" 1
583 1 59 THR HB 1 60 HIS H 4.000 . 4.750 3.409 3.007 4.069 . 0 0 "[ . 1 . 2]" 1
584 1 59 THR MG 1 60 HIS H 5.000 . 6.000 3.321 2.199 3.847 . 0 0 "[ . 1 . 2]" 1
585 1 59 THR MG 1 60 HIS HD2 5.000 . 6.000 4.293 2.875 4.762 . 0 0 "[ . 1 . 2]" 1
586 1 60 HIS H 1 61 PHE H 3.000 . 3.500 2.338 2.286 2.473 . 0 0 "[ . 1 . 2]" 1
587 1 60 HIS HA 1 61 PHE H 4.000 . 4.750 3.478 3.389 3.493 . 0 0 "[ . 1 . 2]" 1
588 1 60 HIS HB3 1 61 PHE H 4.000 . 4.750 3.862 3.814 4.073 . 0 0 "[ . 1 . 2]" 1
589 1 60 HIS HB3 1 61 PHE QD 4.000 . 4.750 3.879 3.620 4.406 . 0 0 "[ . 1 . 2]" 1
590 1 60 HIS HB3 1 61 PHE QE 4.000 . 4.750 4.524 4.364 4.768 0.018 1 0 "[ . 1 . 2]" 1
591 1 60 HIS HB2 1 61 PHE H 4.000 . 4.750 2.923 2.860 3.327 . 0 0 "[ . 1 . 2]" 1
592 1 60 HIS HB2 1 61 PHE QD 4.000 . 4.750 3.282 3.005 3.627 . 0 0 "[ . 1 . 2]" 1
593 1 60 HIS HB2 1 61 PHE QE 4.000 . 4.750 3.602 3.328 3.953 . 0 0 "[ . 1 . 2]" 1
594 1 61 PHE H 1 62 ASP H 3.000 . 3.500 2.488 2.203 2.587 . 0 0 "[ . 1 . 2]" 1
595 1 61 PHE H 1 62 ASP HA 5.000 . 6.000 5.134 4.914 5.184 . 0 0 "[ . 1 . 2]" 1
596 1 61 PHE H 1 62 ASP QB 5.000 . 6.000 4.358 4.017 4.902 . 0 0 "[ . 1 . 2]" 1
597 1 61 PHE HA 1 62 ASP H 4.000 . 4.750 3.458 3.380 3.478 . 0 0 "[ . 1 . 2]" 1
598 1 61 PHE HB3 1 62 ASP H 4.000 . 4.750 4.046 3.950 4.234 . 0 0 "[ . 1 . 2]" 1
599 1 61 PHE HB2 1 62 ASP H 4.000 . 4.750 3.009 2.926 3.308 . 0 0 "[ . 1 . 2]" 1
600 1 61 PHE QD 1 62 ASP H 4.000 . 4.750 4.368 3.843 4.481 . 0 0 "[ . 1 . 2]" 1
601 1 62 ASP H 1 63 GLN H 5.000 . 6.000 2.539 2.131 2.786 . 0 0 "[ . 1 . 2]" 1
602 1 62 ASP HA 1 63 GLN H 4.000 . 4.750 3.192 3.002 3.448 . 0 0 "[ . 1 . 2]" 1
603 1 62 ASP QB 1 63 GLN H 5.000 . 6.000 3.473 2.992 4.020 . 0 0 "[ . 1 . 2]" 1
604 1 63 GLN H 1 64 ASN H 5.000 . 6.000 3.890 2.138 4.588 . 0 0 "[ . 1 . 2]" 1
605 1 63 GLN HA 1 64 ASN H 4.000 . 4.750 2.368 2.141 3.568 . 0 0 "[ . 1 . 2]" 1
606 1 63 GLN QB 1 64 ASN H 5.000 . 6.000 3.382 2.211 4.032 . 0 0 "[ . 1 . 2]" 1
607 1 63 GLN QG 1 64 ASN H 5.000 . 6.000 3.445 2.089 4.426 . 0 0 "[ . 1 . 2]" 1
608 1 15 LEU H 1 17 PHE QE 5.000 . 6.000 5.832 5.749 5.927 . 0 0 "[ . 1 . 2]" 1
609 1 15 LEU HB3 1 17 PHE HZ 4.000 . 4.750 3.688 3.518 3.863 . 0 0 "[ . 1 . 2]" 1
610 1 15 LEU HB3 1 17 PHE QE 4.000 . 4.750 3.613 3.559 3.670 . 0 0 "[ . 1 . 2]" 1
611 1 15 LEU HB2 1 17 PHE HZ 5.000 . 6.000 4.733 4.616 4.869 . 0 0 "[ . 1 . 2]" 1
612 1 15 LEU HB2 1 17 PHE QE 4.000 . 4.750 4.761 4.755 4.770 0.020 17 0 "[ . 1 . 2]" 1
613 1 15 LEU HG 1 17 PHE HZ 5.000 . 6.000 5.124 3.791 5.795 . 0 0 "[ . 1 . 2]" 1
614 1 15 LEU HG 1 17 PHE QE 4.000 . 4.750 3.951 3.186 4.679 . 0 0 "[ . 1 . 2]" 1
615 1 15 LEU QD 1 17 PHE HA 5.000 . 6.000 4.710 3.433 5.215 . 0 0 "[ . 1 . 2]" 1
616 1 15 LEU QD 1 17 PHE HZ 4.000 . 4.750 3.033 2.439 3.481 . 0 0 "[ . 1 . 2]" 1
617 1 15 LEU QD 1 17 PHE QD 5.000 . 6.000 3.551 2.629 4.026 . 0 0 "[ . 1 . 2]" 1
618 1 15 LEU QD 1 17 PHE QE 4.000 . 4.750 2.209 1.920 2.556 . 0 0 "[ . 1 . 2]" 1
619 1 19 PRO QG 1 21 TYR H 5.000 . 6.000 5.045 4.791 5.449 . 0 0 "[ . 1 . 2]" 1
620 1 21 TYR QD 1 23 GLN HA 4.000 . 4.750 3.534 3.443 3.609 . 0 0 "[ . 1 . 2]" 1
621 1 21 TYR QD 1 23 GLN QB 5.000 . 6.000 5.270 5.071 5.484 . 0 0 "[ . 1 . 2]" 1
622 1 21 TYR QE 1 23 GLN HA 4.000 . 4.750 4.358 4.273 4.533 . 0 0 "[ . 1 . 2]" 1
623 1 21 TYR QE 1 23 GLN QB 5.000 . 6.000 6.043 6.037 6.051 0.051 9 0 "[ . 1 . 2]" 1
624 1 22 ASP HA 1 24 SER H 5.000 . 6.000 3.997 3.846 4.092 . 0 0 "[ . 1 . 2]" 1
625 1 22 ASP QB 1 24 SER H 4.000 . 4.750 3.182 2.875 3.624 . 0 0 "[ . 1 . 2]" 1
626 1 23 GLN H 1 25 LYS H 5.000 . 6.000 4.284 4.168 4.428 . 0 0 "[ . 1 . 2]" 1
627 1 23 GLN QB 1 25 LYS H 5.000 . 6.000 4.753 4.607 5.217 . 0 0 "[ . 1 . 2]" 1
628 1 25 LYS H 1 27 GLU H 4.000 . 4.750 4.034 3.983 4.084 . 0 0 "[ . 1 . 2]" 1
629 1 25 LYS HA 1 27 GLU H 5.000 . 6.000 4.320 4.277 4.370 . 0 0 "[ . 1 . 2]" 1
630 1 25 LYS QB 1 27 GLU H 5.000 . 6.000 4.711 4.685 4.738 . 0 0 "[ . 1 . 2]" 1
631 1 26 PHE H 1 28 GLU H 4.000 . 4.750 4.045 3.965 4.160 . 0 0 "[ . 1 . 2]" 1
632 1 26 PHE HA 1 28 GLU H 4.000 . 4.750 4.342 4.244 4.493 . 0 0 "[ . 1 . 2]" 1
633 1 26 PHE HB3 1 28 GLU H 5.000 . 6.000 5.004 4.930 5.097 . 0 0 "[ . 1 . 2]" 1
634 1 26 PHE QD 1 28 GLU H 5.000 . 6.000 5.761 5.675 5.853 . 0 0 "[ . 1 . 2]" 1
635 1 27 GLU H 1 29 HIS H 4.000 . 4.750 4.060 4.016 4.106 . 0 0 "[ . 1 . 2]" 1
636 1 27 GLU HA 1 29 HIS H 5.000 . 6.000 4.454 4.339 4.558 . 0 0 "[ . 1 . 2]" 1
637 1 28 GLU HA 1 30 VAL H 5.000 . 6.000 4.662 4.636 4.702 . 0 0 "[ . 1 . 2]" 1
638 1 28 GLU QB 1 30 VAL H 4.000 . 4.750 4.778 4.759 4.792 0.042 17 0 "[ . 1 . 2]" 1
639 1 29 HIS HD2 1 31 GLU H 5.000 . 6.000 5.205 5.142 5.293 . 0 0 "[ . 1 . 2]" 1
640 1 30 VAL H 1 32 SER H 5.000 . 6.000 3.878 3.799 3.957 . 0 0 "[ . 1 . 2]" 1
641 1 30 VAL HA 1 32 SER H 5.000 . 6.000 4.123 4.062 4.216 . 0 0 "[ . 1 . 2]" 1
642 1 30 VAL HB 1 32 SER H 5.000 . 6.000 4.776 4.609 4.903 . 0 0 "[ . 1 . 2]" 1
643 1 30 VAL MG1 1 32 SER H 5.000 . 6.000 4.811 4.695 4.882 . 0 0 "[ . 1 . 2]" 1
644 1 30 VAL MG2 1 32 SER H 5.000 . 6.000 5.121 5.027 5.225 . 0 0 "[ . 1 . 2]" 1
645 1 31 GLU H 1 33 HIS HD2 4.000 . 4.750 4.534 4.456 4.666 . 0 0 "[ . 1 . 2]" 1
646 1 31 GLU HA 1 33 HIS H 4.000 . 4.750 3.976 3.646 4.071 . 0 0 "[ . 1 . 2]" 1
647 1 31 GLU HA 1 33 HIS HD2 5.000 . 6.000 5.109 4.938 5.239 . 0 0 "[ . 1 . 2]" 1
648 1 31 GLU QB 1 33 HIS H 4.000 . 4.750 4.769 4.756 4.815 0.065 12 0 "[ . 1 . 2]" 1
649 1 32 SER HA 1 34 TRP H 4.000 . 4.750 4.067 4.011 4.111 . 0 0 "[ . 1 . 2]" 1
650 1 34 TRP H 1 36 VAL MG2 5.000 . 6.000 4.351 4.073 4.507 . 0 0 "[ . 1 . 2]" 1
651 1 34 TRP HE3 1 36 VAL MG1 5.000 . 6.000 6.010 6.001 6.040 0.040 15 0 "[ . 1 . 2]" 1
652 1 34 TRP HE3 1 36 VAL MG2 5.000 . 6.000 4.249 4.121 4.387 . 0 0 "[ . 1 . 2]" 1
653 1 35 LYS HA 1 37 CYS H 5.000 . 6.000 6.030 5.998 6.039 0.039 16 0 "[ . 1 . 2]" 1
654 1 36 VAL MG1 1 38 PRO HA 5.000 . 6.000 4.089 3.972 4.285 . 0 0 "[ . 1 . 2]" 1
655 1 37 CYS H 1 39 MET H 5.000 . 6.000 5.460 5.428 5.486 . 0 0 "[ . 1 . 2]" 1
656 1 37 CYS HA 1 39 MET H 5.000 . 6.000 3.759 3.729 3.781 . 0 0 "[ . 1 . 2]" 1
657 1 37 CYS HB3 1 39 MET H 4.000 . 4.750 3.853 3.824 3.891 . 0 0 "[ . 1 . 2]" 1
658 1 37 CYS HB2 1 39 MET H 5.000 . 6.000 4.569 4.533 4.624 . 0 0 "[ . 1 . 2]" 1
659 1 38 PRO HA 1 40 CYS H 5.000 . 6.000 4.158 4.131 4.185 . 0 0 "[ . 1 . 2]" 1
660 1 39 MET H 1 41 SER H 4.000 . 4.750 3.490 3.433 3.667 . 0 0 "[ . 1 . 2]" 1
661 1 39 MET H 1 41 SER HA 5.000 . 6.000 5.129 5.102 5.152 . 0 0 "[ . 1 . 2]" 1
662 1 40 CYS H 1 42 GLU H 4.000 . 4.750 3.695 3.567 3.800 . 0 0 "[ . 1 . 2]" 1
663 1 40 CYS HA 1 42 GLU H 5.000 . 6.000 5.152 4.971 5.303 . 0 0 "[ . 1 . 2]" 1
664 1 40 CYS HB2 1 42 GLU H 4.000 . 4.750 4.612 4.470 4.756 0.006 7 0 "[ . 1 . 2]" 1
665 1 42 GLU H 1 44 PHE HZ 5.000 . 6.000 5.556 5.374 5.629 . 0 0 "[ . 1 . 2]" 1
666 1 42 GLU H 1 44 PHE QE 4.000 . 4.750 4.022 3.867 4.207 . 0 0 "[ . 1 . 2]" 1
667 1 42 GLU HA 1 44 PHE H 5.000 . 6.000 6.055 6.031 6.063 0.063 1 0 "[ . 1 . 2]" 1
668 1 42 GLU HA 1 44 PHE HZ 5.000 . 6.000 5.919 5.534 6.005 0.005 18 0 "[ . 1 . 2]" 1
669 1 42 GLU HA 1 44 PHE QE 5.000 . 6.000 4.894 4.646 5.034 . 0 0 "[ . 1 . 2]" 1
670 1 42 GLU QB 1 44 PHE HZ 4.000 . 4.750 2.991 2.671 3.060 . 0 0 "[ . 1 . 2]" 1
671 1 42 GLU QB 1 44 PHE QD 5.000 . 6.000 3.702 3.588 3.895 . 0 0 "[ . 1 . 2]" 1
672 1 42 GLU QB 1 44 PHE QE 3.000 . 3.500 2.347 2.096 2.545 . 0 0 "[ . 1 . 2]" 1
673 1 42 GLU QG 1 44 PHE HZ 4.000 . 4.750 3.800 2.829 4.357 . 0 0 "[ . 1 . 2]" 1
674 1 42 GLU QG 1 44 PHE QD 5.000 . 6.000 5.061 3.926 5.639 . 0 0 "[ . 1 . 2]" 1
675 1 42 GLU QG 1 44 PHE QE 4.000 . 4.750 3.949 3.087 4.399 . 0 0 "[ . 1 . 2]" 1
676 1 46 PRO QB 1 48 TYR H 5.000 . 6.000 4.658 4.562 4.718 . 0 0 "[ . 1 . 2]" 1
677 1 48 TYR QD 1 50 GLN HA 5.000 . 6.000 4.460 4.146 4.572 . 0 0 "[ . 1 . 2]" 1
678 1 49 ASP HA 1 51 GLN H 4.000 . 4.750 3.786 3.665 3.854 . 0 0 "[ . 1 . 2]" 1
679 1 49 ASP QB 1 51 GLN H 5.000 . 6.000 2.967 2.659 3.496 . 0 0 "[ . 1 . 2]" 1
680 1 50 GLN H 1 52 VAL H 5.000 . 6.000 4.450 4.407 4.516 . 0 0 "[ . 1 . 2]" 1
681 1 50 GLN H 1 52 VAL MG2 5.000 . 6.000 5.163 5.037 5.304 . 0 0 "[ . 1 . 2]" 1
682 1 51 GLN H 1 53 PHE H 4.000 . 4.750 4.062 4.014 4.129 . 0 0 "[ . 1 . 2]" 1
683 1 51 GLN HA 1 53 PHE H 5.000 . 6.000 4.490 4.405 4.582 . 0 0 "[ . 1 . 2]" 1
684 1 51 GLN QB 1 53 PHE H 5.000 . 6.000 4.618 4.582 4.664 . 0 0 "[ . 1 . 2]" 1
685 1 51 GLN QG 1 53 PHE H 5.000 . 6.000 5.684 5.272 5.969 . 0 0 "[ . 1 . 2]" 1
686 1 52 VAL H 1 54 GLU H 4.000 . 4.750 4.282 4.243 4.330 . 0 0 "[ . 1 . 2]" 1
687 1 52 VAL HA 1 54 GLU H 4.000 . 4.750 4.746 4.707 4.770 0.020 5 0 "[ . 1 . 2]" 1
688 1 52 VAL MG1 1 54 GLU H 5.000 . 6.000 5.333 5.271 5.395 . 0 0 "[ . 1 . 2]" 1
689 1 52 VAL MG2 1 54 GLU H 5.000 . 6.000 5.494 5.454 5.531 . 0 0 "[ . 1 . 2]" 1
690 1 53 PHE H 1 55 ARG H 4.000 . 4.750 4.057 3.922 4.143 . 0 0 "[ . 1 . 2]" 1
691 1 53 PHE HA 1 55 ARG H 4.000 . 4.750 4.381 4.200 4.543 . 0 0 "[ . 1 . 2]" 1
692 1 53 PHE QD 1 55 ARG H 5.000 . 6.000 5.507 5.375 5.598 . 0 0 "[ . 1 . 2]" 1
693 1 54 GLU H 1 56 HIS H 4.000 . 4.750 4.146 4.082 4.272 . 0 0 "[ . 1 . 2]" 1
694 1 54 GLU HA 1 56 HIS H 5.000 . 6.000 4.352 4.314 4.492 . 0 0 "[ . 1 . 2]" 1
695 1 54 GLU HA 1 56 HIS HD2 5.000 . 6.000 5.756 5.645 5.869 . 0 0 "[ . 1 . 2]" 1
696 1 55 ARG HA 1 57 VAL H 4.000 . 4.750 4.646 4.571 4.714 . 0 0 "[ . 1 . 2]" 1
697 1 56 HIS H 1 58 GLN H 4.000 . 4.750 3.931 3.830 4.168 . 0 0 "[ . 1 . 2]" 1
698 1 56 HIS HA 1 58 GLN H 4.000 . 4.750 4.405 4.215 4.750 . 0 0 "[ . 1 . 2]" 1
699 1 56 HIS HB3 1 58 GLN H 5.000 . 6.000 4.912 4.783 5.116 . 0 0 "[ . 1 . 2]" 1
700 1 56 HIS HD2 1 58 GLN H 5.000 . 6.000 5.104 5.025 5.188 . 0 0 "[ . 1 . 2]" 1
701 1 57 VAL H 1 59 THR H 4.000 . 4.750 3.936 3.825 4.108 . 0 0 "[ . 1 . 2]" 1
702 1 57 VAL H 1 59 THR MG 5.000 . 6.000 5.385 4.367 6.007 0.007 3 0 "[ . 1 . 2]" 1
703 1 57 VAL HA 1 59 THR H 4.000 . 4.750 4.096 4.042 4.161 . 0 0 "[ . 1 . 2]" 1
704 1 57 VAL HB 1 59 THR H 5.000 . 6.000 4.916 4.704 5.102 . 0 0 "[ . 1 . 2]" 1
705 1 57 VAL MG1 1 59 THR H 5.000 . 6.000 5.128 5.006 5.239 . 0 0 "[ . 1 . 2]" 1
706 1 57 VAL MG2 1 59 THR H 5.000 . 6.000 4.969 4.834 5.111 . 0 0 "[ . 1 . 2]" 1
707 1 58 GLN H 1 60 HIS H 4.000 . 4.750 4.070 4.048 4.137 . 0 0 "[ . 1 . 2]" 1
708 1 58 GLN H 1 60 HIS HD2 5.000 . 6.000 4.794 4.720 4.878 . 0 0 "[ . 1 . 2]" 1
709 1 58 GLN HA 1 60 HIS H 4.000 . 4.750 3.756 3.717 3.814 . 0 0 "[ . 1 . 2]" 1
710 1 58 GLN QB 1 60 HIS H 5.000 . 6.000 4.500 4.487 4.510 . 0 0 "[ . 1 . 2]" 1
711 1 60 HIS H 1 62 ASP H 5.000 . 6.000 3.903 3.854 4.095 . 0 0 "[ . 1 . 2]" 1
712 1 60 HIS HA 1 62 ASP H 5.000 . 6.000 3.975 3.638 4.197 . 0 0 "[ . 1 . 2]" 1
713 1 18 PRO HA 1 21 TYR H 5.000 . 6.000 4.822 4.770 4.878 . 0 0 "[ . 1 . 2]" 1
714 1 18 PRO QB 1 21 TYR H 4.000 . 4.750 3.555 3.460 3.651 . 0 0 "[ . 1 . 2]" 1
715 1 18 PRO QB 1 21 TYR QD 4.000 . 4.750 4.577 4.406 4.680 . 0 0 "[ . 1 . 2]" 1
716 1 18 PRO QG 1 21 TYR HB2 4.000 . 4.750 2.222 2.100 2.353 . 0 0 "[ . 1 . 2]" 1
717 1 18 PRO QG 1 21 TYR QD 4.000 . 4.750 2.660 2.452 2.795 . 0 0 "[ . 1 . 2]" 1
718 1 18 PRO QG 1 21 TYR QE 4.000 . 4.750 4.640 4.413 4.756 0.006 9 0 "[ . 1 . 2]" 1
719 1 18 PRO QD 1 21 TYR QD 4.000 . 4.750 2.190 1.969 2.436 . 0 0 "[ . 1 . 2]" 1
720 1 18 PRO QD 1 21 TYR QE 4.000 . 4.750 3.851 3.675 4.011 . 0 0 "[ . 1 . 2]" 1
721 1 22 ASP HA 1 25 LYS H 5.000 . 6.000 4.546 4.442 4.651 . 0 0 "[ . 1 . 2]" 1
722 1 22 ASP QB 1 25 LYS H 4.000 . 4.750 2.417 2.263 2.617 . 0 0 "[ . 1 . 2]" 1
723 1 22 ASP QB 1 25 LYS QG 4.000 . 4.750 3.079 1.939 3.954 . 0 0 "[ . 1 . 2]" 1
724 1 23 GLN HA 1 26 PHE H 3.000 . 3.500 3.124 3.091 3.156 . 0 0 "[ . 1 . 2]" 1
725 1 23 GLN HA 1 26 PHE HB3 3.000 . 3.500 2.460 2.293 2.629 . 0 0 "[ . 1 . 2]" 1
726 1 23 GLN HA 1 26 PHE HB2 3.000 . 3.500 2.857 2.773 2.951 . 0 0 "[ . 1 . 2]" 1
727 1 23 GLN HA 1 26 PHE QD 4.000 . 4.750 3.820 3.602 4.008 . 0 0 "[ . 1 . 2]" 1
728 1 23 GLN HE21 1 26 PHE QD 4.000 . 4.750 3.532 2.204 4.753 0.003 11 0 "[ . 1 . 2]" 1
729 1 23 GLN HE22 1 26 PHE QD 5.000 . 6.000 4.122 2.228 5.922 . 0 0 "[ . 1 . 2]" 1
730 1 24 SER HA 1 27 GLU H 4.000 . 4.750 3.333 3.294 3.373 . 0 0 "[ . 1 . 2]" 1
731 1 24 SER HA 1 27 GLU QB 4.000 . 4.750 2.572 2.484 2.735 . 0 0 "[ . 1 . 2]" 1
732 1 24 SER HA 1 27 GLU QG 5.000 . 6.000 3.377 2.654 4.522 . 0 0 "[ . 1 . 2]" 1
733 1 24 SER QB 1 27 GLU H 4.000 . 4.750 4.752 4.706 4.776 0.026 17 0 "[ . 1 . 2]" 1
734 1 25 LYS HA 1 28 GLU H 3.000 . 3.500 3.391 3.350 3.430 . 0 0 "[ . 1 . 2]" 1
735 1 26 PHE HA 1 29 HIS H 3.000 . 3.500 3.307 3.235 3.399 . 0 0 "[ . 1 . 2]" 1
736 1 26 PHE HA 1 29 HIS HB3 4.000 . 4.750 2.368 2.283 2.457 . 0 0 "[ . 1 . 2]" 1
737 1 26 PHE HA 1 29 HIS HB2 4.000 . 4.750 3.814 3.679 3.952 . 0 0 "[ . 1 . 2]" 1
738 1 26 PHE HA 1 29 HIS HD2 4.000 . 4.750 3.796 3.677 3.959 . 0 0 "[ . 1 . 2]" 1
739 1 26 PHE QD 1 29 HIS HE1 5.000 . 6.000 6.033 6.019 6.047 0.047 12 0 "[ . 1 . 2]" 1
740 1 27 GLU H 1 30 VAL H 5.000 . 6.000 4.667 4.631 4.709 . 0 0 "[ . 1 . 2]" 1
741 1 27 GLU H 1 30 VAL MG2 5.000 . 6.000 4.362 4.228 4.513 . 0 0 "[ . 1 . 2]" 1
742 1 27 GLU HA 1 30 VAL H 4.000 . 4.750 3.617 3.473 3.708 . 0 0 "[ . 1 . 2]" 1
743 1 27 GLU HA 1 30 VAL HB 3.000 . 3.500 2.763 2.662 2.853 . 0 0 "[ . 1 . 2]" 1
744 1 27 GLU HA 1 30 VAL MG1 5.000 . 6.000 4.074 3.993 4.159 . 0 0 "[ . 1 . 2]" 1
745 1 27 GLU HA 1 30 VAL MG2 4.000 . 4.750 3.062 2.785 3.286 . 0 0 "[ . 1 . 2]" 1
746 1 28 GLU HA 1 31 GLU QB 3.000 . 3.500 2.640 2.326 3.517 0.017 12 0 "[ . 1 . 2]" 1
747 1 29 HIS H 1 32 SER H 5.000 . 6.000 4.456 4.377 4.532 . 0 0 "[ . 1 . 2]" 1
748 1 29 HIS HA 1 32 SER H 4.000 . 4.750 3.268 3.192 3.378 . 0 0 "[ . 1 . 2]" 1
749 1 29 HIS HA 1 32 SER QB 4.000 . 4.750 2.339 2.104 2.871 . 0 0 "[ . 1 . 2]" 1
750 1 29 HIS HB2 1 32 SER H 5.000 . 6.000 5.413 5.348 5.497 . 0 0 "[ . 1 . 2]" 1
751 1 30 VAL H 1 33 HIS H 5.000 . 6.000 5.232 5.168 5.284 . 0 0 "[ . 1 . 2]" 1
752 1 30 VAL H 1 33 HIS HD2 4.000 . 4.750 4.224 4.169 4.272 . 0 0 "[ . 1 . 2]" 1
753 1 30 VAL HA 1 33 HIS H 4.000 . 4.750 3.816 3.766 3.868 . 0 0 "[ . 1 . 2]" 1
754 1 30 VAL HA 1 33 HIS HD2 2.500 . 2.800 1.917 1.863 1.960 . 0 0 "[ . 1 . 2]" 1
755 1 30 VAL HB 1 33 HIS HD2 4.000 . 4.750 4.789 4.776 4.803 0.053 8 0 "[ . 1 . 2]" 1
756 1 30 VAL MG1 1 33 HIS HD2 4.000 . 4.750 3.583 3.453 3.662 . 0 0 "[ . 1 . 2]" 1
757 1 30 VAL MG2 1 33 HIS HD2 4.000 . 4.750 3.913 3.713 3.987 . 0 0 "[ . 1 . 2]" 1
758 1 31 GLU HA 1 34 TRP HD1 3.000 . 3.500 3.457 3.315 3.515 0.015 12 0 "[ . 1 . 2]" 1
759 1 31 GLU HA 1 34 TRP HE1 4.000 . 4.750 4.360 4.119 4.497 . 0 0 "[ . 1 . 2]" 1
760 1 31 GLU HA 1 34 TRP HE3 4.000 . 4.750 4.473 4.406 4.545 . 0 0 "[ . 1 . 2]" 1
761 1 31 GLU HA 1 34 TRP HZ3 5.000 . 6.000 5.965 5.820 6.044 0.044 12 0 "[ . 1 . 2]" 1
762 1 36 VAL MG1 1 39 MET H 5.000 . 6.000 5.495 5.444 5.570 . 0 0 "[ . 1 . 2]" 1
763 1 37 CYS H 1 40 CYS H 5.000 . 6.000 5.313 5.267 5.364 . 0 0 "[ . 1 . 2]" 1
764 1 37 CYS HA 1 40 CYS H 5.000 . 6.000 4.845 4.808 4.865 . 0 0 "[ . 1 . 2]" 1
765 1 37 CYS HB3 1 40 CYS H 4.000 . 4.750 3.269 3.210 3.309 . 0 0 "[ . 1 . 2]" 1
766 1 37 CYS HB2 1 40 CYS H 4.000 . 4.750 4.688 4.647 4.719 . 0 0 "[ . 1 . 2]" 1
767 1 39 MET H 1 42 GLU H 5.000 . 6.000 5.094 5.019 5.157 . 0 0 "[ . 1 . 2]" 1
768 1 45 PRO QB 1 48 TYR H 4.000 . 4.750 2.840 2.503 3.034 . 0 0 "[ . 1 . 2]" 1
769 1 45 PRO QB 1 48 TYR QD 4.000 . 4.750 3.751 3.458 3.909 . 0 0 "[ . 1 . 2]" 1
770 1 45 PRO QG 1 48 TYR H 4.000 . 4.750 4.507 4.272 4.734 . 0 0 "[ . 1 . 2]" 1
771 1 45 PRO QG 1 48 TYR HB3 5.000 . 6.000 5.406 4.959 5.768 . 0 0 "[ . 1 . 2]" 1
772 1 45 PRO QG 1 48 TYR QD 3.000 . 3.500 3.344 2.901 3.504 0.004 10 0 "[ . 1 . 2]" 1
773 1 45 PRO QG 1 48 TYR QE 5.000 . 6.000 4.714 4.316 4.910 . 0 0 "[ . 1 . 2]" 1
774 1 45 PRO QD 1 48 TYR QD 4.000 . 4.750 2.393 2.024 2.800 . 0 0 "[ . 1 . 2]" 1
775 1 45 PRO QD 1 48 TYR QE 5.000 . 6.000 3.839 3.605 4.060 . 0 0 "[ . 1 . 2]" 1
776 1 49 ASP H 1 52 VAL MG1 5.000 . 6.000 4.767 4.494 5.144 . 0 0 "[ . 1 . 2]" 1
777 1 49 ASP H 1 52 VAL MG2 5.000 . 6.000 3.440 3.279 3.701 . 0 0 "[ . 1 . 2]" 1
778 1 49 ASP HA 1 52 VAL MG2 5.000 . 6.000 4.445 4.282 4.616 . 0 0 "[ . 1 . 2]" 1
779 1 49 ASP QB 1 52 VAL H 4.000 . 4.750 2.410 2.233 2.663 . 0 0 "[ . 1 . 2]" 1
780 1 49 ASP QB 1 52 VAL HB 3.000 . 3.500 3.152 2.849 3.484 . 0 0 "[ . 1 . 2]" 1
781 1 49 ASP QB 1 52 VAL MG1 4.000 . 4.750 4.113 3.953 4.332 . 0 0 "[ . 1 . 2]" 1
782 1 49 ASP QB 1 52 VAL MG2 4.000 . 4.750 1.971 1.842 2.180 . 0 0 "[ . 1 . 2]" 1
783 1 50 GLN H 1 53 PHE H 5.000 . 6.000 4.838 4.758 4.916 . 0 0 "[ . 1 . 2]" 1
784 1 50 GLN HA 1 53 PHE H 4.000 . 4.750 3.285 3.219 3.347 . 0 0 "[ . 1 . 2]" 1
785 1 50 GLN HA 1 53 PHE HB3 3.000 . 3.500 2.371 2.314 2.444 . 0 0 "[ . 1 . 2]" 1
786 1 50 GLN HA 1 53 PHE HB2 3.000 . 3.500 3.518 3.509 3.525 0.025 12 0 "[ . 1 . 2]" 1
787 1 50 GLN HA 1 53 PHE QD 4.000 . 4.750 3.308 3.243 3.462 . 0 0 "[ . 1 . 2]" 1
788 1 50 GLN HE21 1 53 PHE QE 4.000 . 4.750 3.699 3.264 4.754 0.004 4 0 "[ . 1 . 2]" 1
789 1 50 GLN HE22 1 53 PHE QD 4.000 . 4.750 3.201 2.319 4.071 . 0 0 "[ . 1 . 2]" 1
790 1 50 GLN QB 1 53 PHE QD 5.000 . 6.000 4.507 4.302 4.717 . 0 0 "[ . 1 . 2]" 1
791 1 50 GLN QG 1 53 PHE QD 4.000 . 4.750 3.317 2.764 4.220 . 0 0 "[ . 1 . 2]" 1
792 1 51 GLN H 1 54 GLU H 5.000 . 6.000 4.668 4.608 4.745 . 0 0 "[ . 1 . 2]" 1
793 1 51 GLN HA 1 54 GLU H 4.000 . 4.750 3.721 3.682 3.761 . 0 0 "[ . 1 . 2]" 1
794 1 51 GLN HA 1 54 GLU QB 3.000 . 3.500 2.750 2.707 2.803 . 0 0 "[ . 1 . 2]" 1
795 1 52 VAL HA 1 55 ARG H 4.000 . 4.750 3.639 3.520 3.746 . 0 0 "[ . 1 . 2]" 1
796 1 52 VAL HA 1 55 ARG QB 3.000 . 3.500 3.025 2.404 3.511 0.011 19 0 "[ . 1 . 2]" 1
797 1 52 VAL HA 1 55 ARG QG 3.000 . 3.500 2.734 1.910 3.514 0.014 2 0 "[ . 1 . 2]" 1
798 1 52 VAL MG1 1 55 ARG H 5.000 . 6.000 4.802 4.593 4.973 . 0 0 "[ . 1 . 2]" 1
799 1 52 VAL MG1 1 55 ARG QD 5.000 . 6.000 3.785 2.608 5.413 . 0 0 "[ . 1 . 2]" 1
800 1 52 VAL MG2 1 55 ARG H 5.000 . 6.000 5.324 5.228 5.417 . 0 0 "[ . 1 . 2]" 1
801 1 52 VAL MG2 1 55 ARG QD 5.000 . 6.000 4.533 3.436 6.002 0.002 9 0 "[ . 1 . 2]" 1
802 1 53 PHE H 1 56 HIS HB2 5.000 . 6.000 5.879 5.672 6.014 0.014 7 0 "[ . 1 . 2]" 1
803 1 53 PHE HA 1 56 HIS H 4.000 . 4.750 3.370 3.313 3.430 . 0 0 "[ . 1 . 2]" 1
804 1 53 PHE HA 1 56 HIS HB3 3.000 . 3.500 2.493 2.369 2.596 . 0 0 "[ . 1 . 2]" 1
805 1 53 PHE HA 1 56 HIS HB2 4.000 . 4.750 3.775 3.607 3.876 . 0 0 "[ . 1 . 2]" 1
806 1 53 PHE HA 1 56 HIS HD2 5.000 . 6.000 4.277 4.158 4.410 . 0 0 "[ . 1 . 2]" 1
807 1 53 PHE HZ 1 56 HIS HD2 5.000 . 6.000 5.196 5.091 5.283 . 0 0 "[ . 1 . 2]" 1
808 1 53 PHE QD 1 56 HIS H 4.000 . 4.750 4.730 4.666 4.769 0.019 5 0 "[ . 1 . 2]" 1
809 1 53 PHE QD 1 56 HIS HB3 4.000 . 4.750 3.235 3.122 3.295 . 0 0 "[ . 1 . 2]" 1
810 1 53 PHE QD 1 56 HIS HB2 4.000 . 4.750 4.702 4.565 4.765 0.015 1 0 "[ . 1 . 2]" 1
811 1 53 PHE QD 1 56 HIS HD2 4.000 . 4.750 3.167 3.088 3.246 . 0 0 "[ . 1 . 2]" 1
812 1 54 GLU H 1 57 VAL MG2 5.000 . 6.000 3.850 3.777 3.893 . 0 0 "[ . 1 . 2]" 1
813 1 54 GLU HA 1 57 VAL H 4.000 . 4.750 3.483 3.412 3.534 . 0 0 "[ . 1 . 2]" 1
814 1 54 GLU HA 1 57 VAL MG1 5.000 . 6.000 4.549 4.392 4.681 . 0 0 "[ . 1 . 2]" 1
815 1 54 GLU HA 1 57 VAL MG2 4.000 . 4.750 2.257 2.169 2.312 . 0 0 "[ . 1 . 2]" 1
816 1 54 GLU QG 1 57 VAL MG2 5.000 . 6.000 3.786 3.607 4.109 . 0 0 "[ . 1 . 2]" 1
817 1 55 ARG H 1 58 GLN H 5.000 . 6.000 4.573 4.550 4.624 . 0 0 "[ . 1 . 2]" 1
818 1 56 HIS H 1 59 THR MG 5.000 . 6.000 5.319 3.885 5.918 . 0 0 "[ . 1 . 2]" 1
819 1 56 HIS HA 1 59 THR H 3.000 . 3.500 3.430 3.357 3.520 0.020 1 0 "[ . 1 . 2]" 1
820 1 56 HIS HB3 1 59 THR MG 5.000 . 6.000 5.516 4.566 6.058 0.058 16 0 "[ . 1 . 2]" 1
821 1 56 HIS HB2 1 59 THR MG 5.000 . 6.000 4.797 3.994 5.265 . 0 0 "[ . 1 . 2]" 1
822 1 56 HIS HD2 1 59 THR H 5.000 . 6.000 5.736 5.631 5.861 . 0 0 "[ . 1 . 2]" 1
823 1 56 HIS HE1 1 59 THR MG 5.000 . 6.000 5.543 4.482 5.983 . 0 0 "[ . 1 . 2]" 1
824 1 57 VAL HA 1 60 HIS HD2 3.000 . 3.500 1.892 1.870 1.927 . 0 0 "[ . 1 . 2]" 1
825 1 57 VAL HB 1 60 HIS HD2 4.000 . 4.750 4.805 4.784 4.816 0.066 2 0 "[ . 1 . 2]" 1
826 1 57 VAL MG1 1 60 HIS HD2 4.000 . 4.750 3.284 3.169 3.373 . 0 0 "[ . 1 . 2]" 1
827 1 57 VAL MG2 1 60 HIS HD2 4.000 . 4.750 4.068 4.013 4.193 . 0 0 "[ . 1 . 2]" 1
828 1 58 GLN H 1 61 PHE QD 4.000 . 4.750 4.642 4.022 4.767 0.017 16 0 "[ . 1 . 2]" 1
829 1 58 GLN H 1 61 PHE QE 4.000 . 4.750 4.418 3.802 4.563 . 0 0 "[ . 1 . 2]" 1
830 1 58 GLN HA 1 61 PHE HB3 4.000 . 4.750 4.270 4.101 4.626 . 0 0 "[ . 1 . 2]" 1
831 1 58 GLN HA 1 61 PHE HB2 4.000 . 4.750 2.847 2.706 3.195 . 0 0 "[ . 1 . 2]" 1
832 1 58 GLN HA 1 61 PHE QD 3.000 . 3.500 2.278 1.924 2.472 . 0 0 "[ . 1 . 2]" 1
833 1 58 GLN HA 1 61 PHE QE 4.000 . 4.750 3.302 2.935 3.417 . 0 0 "[ . 1 . 2]" 1
834 1 58 GLN HE21 1 61 PHE QD 4.000 . 4.750 2.931 2.831 3.488 . 0 0 "[ . 1 . 2]" 1
835 1 58 GLN HE22 1 61 PHE HB3 4.000 . 4.750 4.767 4.753 4.787 0.037 17 0 "[ . 1 . 2]" 1
836 1 58 GLN HE22 1 61 PHE HB2 4.000 . 4.750 4.363 4.189 4.478 . 0 0 "[ . 1 . 2]" 1
837 1 58 GLN QB 1 61 PHE QD 4.000 . 4.750 3.842 3.791 3.915 . 0 0 "[ . 1 . 2]" 1
838 1 58 GLN QB 1 61 PHE QE 4.000 . 4.750 4.761 4.748 4.792 0.042 1 0 "[ . 1 . 2]" 1
839 1 58 GLN QG 1 61 PHE QD 4.000 . 4.750 3.598 3.415 4.486 . 0 0 "[ . 1 . 2]" 1
840 1 58 GLN QG 1 61 PHE QE 4.000 . 4.750 3.516 3.297 4.487 . 0 0 "[ . 1 . 2]" 1
841 1 59 THR HA 1 62 ASP H 4.000 . 4.750 3.657 3.446 3.821 . 0 0 "[ . 1 . 2]" 1
842 1 59 THR HA 1 62 ASP QB 4.000 . 4.750 3.326 3.039 4.419 . 0 0 "[ . 1 . 2]" 1
843 1 59 THR MG 1 62 ASP H 5.000 . 6.000 4.956 4.650 5.447 . 0 0 "[ . 1 . 2]" 1
844 1 17 PHE HA 1 21 TYR HB2 5.000 . 6.000 4.201 4.104 4.300 . 0 0 "[ . 1 . 2]" 1
845 1 17 PHE HA 1 21 TYR QD 5.000 . 6.000 4.004 3.707 4.239 . 0 0 "[ . 1 . 2]" 1
846 1 17 PHE HB3 1 21 TYR HB2 4.000 . 4.750 2.544 2.451 2.636 . 0 0 "[ . 1 . 2]" 1
847 1 17 PHE HB3 1 21 TYR QD 3.000 . 3.500 2.953 2.739 3.118 . 0 0 "[ . 1 . 2]" 1
848 1 17 PHE HB2 1 21 TYR H 5.000 . 6.000 5.707 5.592 5.789 . 0 0 "[ . 1 . 2]" 1
849 1 17 PHE HB2 1 21 TYR HB2 4.000 . 4.750 4.010 3.858 4.117 . 0 0 "[ . 1 . 2]" 1
850 1 17 PHE HB2 1 21 TYR QD 4.000 . 4.750 4.182 4.005 4.295 . 0 0 "[ . 1 . 2]" 1
851 1 17 PHE QD 1 21 TYR HB2 4.000 . 4.750 4.510 4.441 4.568 . 0 0 "[ . 1 . 2]" 1
852 1 17 PHE QE 1 21 TYR QD 4.000 . 4.750 4.707 4.612 4.763 0.013 11 0 "[ . 1 . 2]" 1
853 1 21 TYR QD 1 25 LYS H 4.000 . 4.750 4.759 4.755 4.765 0.015 11 0 "[ . 1 . 2]" 1
854 1 21 TYR QD 1 25 LYS QB 4.000 . 4.750 3.583 3.453 3.663 . 0 0 "[ . 1 . 2]" 1
855 1 21 TYR QE 1 25 LYS H 4.000 . 4.750 4.008 3.938 4.125 . 0 0 "[ . 1 . 2]" 1
856 1 21 TYR QE 1 25 LYS QB 3.000 . 3.500 2.395 2.244 2.515 . 0 0 "[ . 1 . 2]" 1
857 1 21 TYR QE 1 25 LYS QG 4.000 . 4.750 4.234 3.938 4.469 . 0 0 "[ . 1 . 2]" 1
858 1 21 TYR QE 1 25 LYS QD 5.000 . 6.000 3.806 3.198 4.502 . 0 0 "[ . 1 . 2]" 1
859 1 21 TYR QE 1 25 LYS QE 5.000 . 6.000 4.494 2.655 5.595 . 0 0 "[ . 1 . 2]" 1
860 1 22 ASP QB 1 26 PHE H 5.000 . 6.000 4.116 3.847 4.298 . 0 0 "[ . 1 . 2]" 1
861 1 23 GLN HA 1 27 GLU H 4.000 . 4.750 4.070 3.987 4.197 . 0 0 "[ . 1 . 2]" 1
862 1 23 GLN HE21 1 27 GLU QG 4.000 . 4.750 3.121 2.112 4.651 . 0 0 "[ . 1 . 2]" 1
863 1 23 GLN HE22 1 27 GLU H 5.000 . 6.000 5.363 4.083 6.001 0.001 20 0 "[ . 1 . 2]" 1
864 1 24 SER HA 1 28 GLU H 4.000 . 4.750 4.292 4.233 4.325 . 0 0 "[ . 1 . 2]" 1
865 1 26 PHE HA 1 30 VAL H 4.000 . 4.750 3.748 3.653 3.885 . 0 0 "[ . 1 . 2]" 1
866 1 26 PHE HZ 1 30 VAL MG1 4.000 . 4.750 4.704 4.438 4.759 0.009 20 0 "[ . 1 . 2]" 1
867 1 26 PHE HZ 1 30 VAL MG2 4.000 . 4.750 3.059 2.941 3.132 . 0 0 "[ . 1 . 2]" 1
868 1 26 PHE QD 1 30 VAL H 5.000 . 6.000 4.454 4.379 4.501 . 0 0 "[ . 1 . 2]" 1
869 1 26 PHE QD 1 30 VAL HB 5.000 . 6.000 5.023 4.871 5.143 . 0 0 "[ . 1 . 2]" 1
870 1 26 PHE QD 1 30 VAL MG1 5.000 . 6.000 5.024 4.939 5.156 . 0 0 "[ . 1 . 2]" 1
871 1 26 PHE QD 1 30 VAL MG2 5.000 . 6.000 3.010 2.917 3.121 . 0 0 "[ . 1 . 2]" 1
872 1 26 PHE QE 1 30 VAL MG1 4.000 . 4.750 4.409 4.271 4.513 . 0 0 "[ . 1 . 2]" 1
873 1 28 GLU HA 1 32 SER H 5.000 . 6.000 4.111 3.960 4.254 . 0 0 "[ . 1 . 2]" 1
874 1 28 GLU QB 1 32 SER H 5.000 . 6.000 4.787 4.708 4.916 . 0 0 "[ . 1 . 2]" 1
875 1 29 HIS HA 1 33 HIS H 4.000 . 4.750 4.806 4.789 4.830 0.080 15 0 "[ . 1 . 2]" 1
876 1 29 HIS HD2 1 33 HIS HD2 4.000 . 4.750 4.043 3.874 4.228 . 0 0 "[ . 1 . 2]" 1
877 1 29 HIS HE1 1 33 HIS HD2 5.000 . 6.000 5.154 4.973 5.302 . 0 0 "[ . 1 . 2]" 1
878 1 29 HIS HE1 1 33 HIS HE1 4.000 . 4.750 3.330 3.056 3.613 . 0 0 "[ . 1 . 2]" 1
879 1 30 VAL HB 1 34 TRP HE1 5.000 . 6.000 5.303 4.854 5.699 . 0 0 "[ . 1 . 2]" 1
880 1 30 VAL MG1 1 34 TRP HD1 4.000 . 4.750 3.589 3.330 3.877 . 0 0 "[ . 1 . 2]" 1
881 1 30 VAL MG1 1 34 TRP HE1 5.000 . 6.000 2.691 2.334 3.036 . 0 0 "[ . 1 . 2]" 1
882 1 30 VAL MG1 1 34 TRP HE3 5.000 . 6.000 6.013 5.981 6.034 0.034 7 0 "[ . 1 . 2]" 1
883 1 30 VAL MG1 1 34 TRP HZ2 5.000 . 6.000 3.837 3.616 4.050 . 0 0 "[ . 1 . 2]" 1
884 1 30 VAL MG1 1 34 TRP HH2 5.000 . 6.000 5.458 5.373 5.575 . 0 0 "[ . 1 . 2]" 1
885 1 30 VAL MG2 1 34 TRP HE1 5.000 . 6.000 5.292 5.006 5.608 . 0 0 "[ . 1 . 2]" 1
886 1 36 VAL MG1 1 40 CYS H 5.000 . 6.000 5.185 5.127 5.248 . 0 0 "[ . 1 . 2]" 1
887 1 37 CYS H 1 41 SER H 5.000 . 6.000 4.361 4.132 4.435 . 0 0 "[ . 1 . 2]" 1
888 1 37 CYS H 1 41 SER HA 5.000 . 6.000 4.199 4.056 4.304 . 0 0 "[ . 1 . 2]" 1
889 1 37 CYS HB3 1 41 SER HA 5.000 . 6.000 4.133 3.977 4.228 . 0 0 "[ . 1 . 2]" 1
890 1 37 CYS HB2 1 41 SER H 4.000 . 4.750 4.625 4.334 4.750 . 0 0 "[ . 1 . 2]" 1
891 1 44 PHE HA 1 48 TYR HB2 5.000 . 6.000 3.901 3.689 4.293 . 0 0 "[ . 1 . 2]" 1
892 1 44 PHE HA 1 48 TYR QD 5.000 . 6.000 4.214 3.813 4.619 . 0 0 "[ . 1 . 2]" 1
893 1 44 PHE HB3 1 48 TYR H 5.000 . 6.000 4.789 4.582 4.990 . 0 0 "[ . 1 . 2]" 1
894 1 44 PHE HB3 1 48 TYR QD 4.000 . 4.750 3.175 2.900 3.293 . 0 0 "[ . 1 . 2]" 1
895 1 44 PHE HB2 1 48 TYR QD 4.000 . 4.750 4.510 3.753 4.683 . 0 0 "[ . 1 . 2]" 1
896 1 44 PHE QD 1 48 TYR HB2 4.000 . 4.750 4.053 3.840 4.615 . 0 0 "[ . 1 . 2]" 1
897 1 44 PHE QD 1 48 TYR QD 4.000 . 4.750 2.881 2.743 3.151 . 0 0 "[ . 1 . 2]" 1
898 1 44 PHE QD 1 48 TYR QE 3.000 . 3.500 2.911 2.712 3.174 . 0 0 "[ . 1 . 2]" 1
899 1 44 PHE QE 1 48 TYR QD 4.000 . 4.750 4.323 4.207 4.721 . 0 0 "[ . 1 . 2]" 1
900 1 44 PHE QE 1 48 TYR QE 3.000 . 3.500 3.063 2.889 3.500 . 0 0 "[ . 1 . 2]" 1
901 1 48 TYR QD 1 52 VAL HA 5.000 . 6.000 5.626 5.441 5.788 . 0 0 "[ . 1 . 2]" 1
902 1 48 TYR QD 1 52 VAL HB 4.000 . 4.750 2.909 2.678 3.121 . 0 0 "[ . 1 . 2]" 1
903 1 48 TYR QD 1 52 VAL MG1 5.000 . 6.000 3.797 3.700 4.016 . 0 0 "[ . 1 . 2]" 1
904 1 48 TYR QD 1 52 VAL MG2 5.000 . 6.000 4.078 3.851 4.262 . 0 0 "[ . 1 . 2]" 1
905 1 48 TYR QE 1 52 VAL H 4.000 . 4.750 4.704 4.443 4.756 0.006 20 0 "[ . 1 . 2]" 1
906 1 48 TYR QE 1 52 VAL HB 4.000 . 4.750 2.179 2.000 2.274 . 0 0 "[ . 1 . 2]" 1
907 1 48 TYR QE 1 52 VAL MG1 4.000 . 4.750 1.979 1.916 2.241 . 0 0 "[ . 1 . 2]" 1
908 1 48 TYR QE 1 52 VAL MG2 5.000 . 6.000 3.508 3.294 3.634 . 0 0 "[ . 1 . 2]" 1
909 1 49 ASP QB 1 53 PHE H 5.000 . 6.000 4.094 3.917 4.256 . 0 0 "[ . 1 . 2]" 1
910 1 50 GLN HA 1 54 GLU H 4.000 . 4.750 3.635 3.508 3.755 . 0 0 "[ . 1 . 2]" 1
911 1 50 GLN HE21 1 54 GLU H 5.000 . 6.000 4.203 3.568 5.927 . 0 0 "[ . 1 . 2]" 1
912 1 50 GLN HE21 1 54 GLU QB 5.000 . 6.000 4.454 3.815 6.008 0.008 4 0 "[ . 1 . 2]" 1
913 1 50 GLN HE21 1 54 GLU QG 4.000 . 4.750 2.596 2.010 4.507 . 0 0 "[ . 1 . 2]" 1
914 1 50 GLN HE22 1 54 GLU H 5.000 . 6.000 5.281 4.389 5.991 . 0 0 "[ . 1 . 2]" 1
915 1 50 GLN HE22 1 54 GLU QG 4.000 . 4.750 3.223 1.873 4.141 . 0 0 "[ . 1 . 2]" 1
916 1 50 GLN QB 1 54 GLU QG 5.000 . 6.000 4.021 3.378 4.853 . 0 0 "[ . 1 . 2]" 1
917 1 50 GLN QG 1 54 GLU H 5.000 . 6.000 3.913 3.161 5.227 . 0 0 "[ . 1 . 2]" 1
918 1 52 VAL MG1 1 56 HIS HB2 5.000 . 6.000 3.782 3.612 3.947 . 0 0 "[ . 1 . 2]" 1
919 1 53 PHE HA 1 57 VAL H 4.000 . 4.750 3.996 3.955 4.068 . 0 0 "[ . 1 . 2]" 1
920 1 53 PHE HZ 1 57 VAL H 5.000 . 6.000 5.906 5.877 5.940 . 0 0 "[ . 1 . 2]" 1
921 1 53 PHE HZ 1 57 VAL HA 5.000 . 6.000 5.982 5.893 6.026 0.026 12 0 "[ . 1 . 2]" 1
922 1 53 PHE HZ 1 57 VAL HB 5.000 . 6.000 5.180 5.131 5.201 . 0 0 "[ . 1 . 2]" 1
923 1 53 PHE HZ 1 57 VAL MG1 5.000 . 6.000 3.502 3.382 3.574 . 0 0 "[ . 1 . 2]" 1
924 1 53 PHE HZ 1 57 VAL MG2 4.000 . 4.750 2.586 2.547 2.612 . 0 0 "[ . 1 . 2]" 1
925 1 53 PHE QD 1 57 VAL MG2 5.000 . 6.000 2.708 2.692 2.730 . 0 0 "[ . 1 . 2]" 1
926 1 53 PHE QE 1 57 VAL H 5.000 . 6.000 4.566 4.512 4.610 . 0 0 "[ . 1 . 2]" 1
927 1 53 PHE QE 1 57 VAL HA 4.000 . 4.750 4.768 4.753 4.781 0.031 1 0 "[ . 1 . 2]" 1
928 1 53 PHE QE 1 57 VAL HB 4.000 . 4.750 4.800 4.789 4.812 0.062 18 0 "[ . 1 . 2]" 1
929 1 53 PHE QE 1 57 VAL MG1 5.000 . 6.000 3.369 3.161 3.490 . 0 0 "[ . 1 . 2]" 1
930 1 53 PHE QE 1 57 VAL MG2 4.000 . 4.750 2.311 2.289 2.352 . 0 0 "[ . 1 . 2]" 1
931 1 54 GLU HA 1 58 GLN H 4.000 . 4.750 3.783 3.459 4.039 . 0 0 "[ . 1 . 2]" 1
932 1 54 GLU HA 1 58 GLN HE21 5.000 . 6.000 4.811 4.604 4.981 . 0 0 "[ . 1 . 2]" 1
933 1 54 GLU QB 1 58 GLN HE22 5.000 . 6.000 6.013 5.996 6.032 0.032 1 0 "[ . 1 . 2]" 1
934 1 56 HIS HD2 1 60 HIS H 5.000 . 6.000 5.935 5.887 5.996 . 0 0 "[ . 1 . 2]" 1
935 1 56 HIS HD2 1 60 HIS HD2 3.000 . 3.500 3.530 3.520 3.541 0.041 6 0 "[ . 1 . 2]" 1
936 1 56 HIS HE1 1 60 HIS HD2 4.000 . 4.750 4.786 4.776 4.800 0.050 12 0 "[ . 1 . 2]" 1
937 1 57 VAL MG1 1 61 PHE QD 4.000 . 4.750 4.034 3.889 4.193 . 0 0 "[ . 1 . 2]" 1
938 1 57 VAL MG1 1 61 PHE QE 4.000 . 4.750 2.604 1.972 2.799 . 0 0 "[ . 1 . 2]" 1
939 1 58 GLN HA 1 62 ASP H 4.000 . 4.750 4.523 4.381 4.769 0.019 7 0 "[ . 1 . 2]" 1
940 1 6 VAL QG 1 21 TYR H 5.000 . 6.000 5.810 5.499 6.009 0.009 5 0 "[ . 1 . 2]" 1
941 1 7 HIS H 1 16 MET ME 5.000 . 6.000 4.299 3.551 5.591 . 0 0 "[ . 1 . 2]" 1
942 1 7 HIS HB3 1 16 MET ME 5.000 . 6.000 2.878 2.060 3.581 . 0 0 "[ . 1 . 2]" 1
943 1 7 HIS HB2 1 16 MET ME 5.000 . 6.000 2.634 1.935 3.904 . 0 0 "[ . 1 . 2]" 1
944 1 7 HIS HE1 1 16 MET ME 5.000 . 6.000 4.677 3.361 5.652 . 0 0 "[ . 1 . 2]" 1
945 1 7 HIS HD2 1 17 PHE HA 5.000 . 6.000 5.110 4.848 5.262 . 0 0 "[ . 1 . 2]" 1
946 1 7 HIS HD2 1 18 PRO HA 4.000 . 4.750 2.026 1.965 2.162 . 0 0 "[ . 1 . 2]" 1
947 1 7 HIS HE1 1 18 PRO QD 5.000 . 6.000 5.999 5.907 6.007 0.007 17 0 "[ . 1 . 2]" 1
948 1 7 HIS HD2 1 19 PRO HA 5.000 . 6.000 3.951 3.670 4.148 . 0 0 "[ . 1 . 2]" 1
949 1 7 HIS HD2 1 19 PRO QB 4.000 . 4.750 4.293 3.925 4.665 . 0 0 "[ . 1 . 2]" 1
950 1 8 LYS H 1 16 MET ME 5.000 . 6.000 5.401 4.531 6.003 0.003 12 0 "[ . 1 . 2]" 1
951 1 8 LYS H 1 17 PHE H 5.000 . 6.000 3.119 2.770 3.559 . 0 0 "[ . 1 . 2]" 1
952 1 8 LYS H 1 17 PHE HB2 5.000 . 6.000 2.999 2.720 3.388 . 0 0 "[ . 1 . 2]" 1
953 1 8 LYS HB3 1 17 PHE QD 4.000 . 4.750 3.065 2.507 3.613 . 0 0 "[ . 1 . 2]" 1
954 1 8 LYS HB2 1 17 PHE QD 5.000 . 6.000 3.233 3.087 3.699 . 0 0 "[ . 1 . 2]" 1
955 1 8 LYS H 1 19 PRO HA 5.000 . 6.000 4.473 4.190 4.731 . 0 0 "[ . 1 . 2]" 1
956 1 8 LYS QG 1 19 PRO HA 5.000 . 6.000 4.253 3.667 4.723 . 0 0 "[ . 1 . 2]" 1
957 1 8 LYS QD 1 21 TYR QD 4.000 . 4.750 3.664 3.089 4.753 0.003 19 0 "[ . 1 . 2]" 1
958 1 8 LYS HA 1 26 PHE QE 5.000 . 6.000 5.107 4.982 5.226 . 0 0 "[ . 1 . 2]" 1
959 1 8 LYS HB3 1 26 PHE QD 5.000 . 6.000 3.859 3.552 4.072 . 0 0 "[ . 1 . 2]" 1
960 1 8 LYS HB3 1 26 PHE QE 4.000 . 4.750 3.524 3.341 3.635 . 0 0 "[ . 1 . 2]" 1
961 1 8 LYS HB2 1 26 PHE QD 5.000 . 6.000 4.585 4.414 4.784 . 0 0 "[ . 1 . 2]" 1
962 1 8 LYS HB2 1 26 PHE QE 4.000 . 4.750 4.691 4.552 4.763 0.013 7 0 "[ . 1 . 2]" 1
963 1 8 LYS QG 1 26 PHE QD 5.000 . 6.000 4.758 4.336 5.033 . 0 0 "[ . 1 . 2]" 1
964 1 8 LYS QG 1 26 PHE QE 4.000 . 4.750 4.617 4.424 4.753 0.003 3 0 "[ . 1 . 2]" 1
965 1 8 LYS QD 1 26 PHE H 5.000 . 6.000 5.452 4.979 5.977 . 0 0 "[ . 1 . 2]" 1
966 1 8 LYS QD 1 26 PHE QD 4.000 . 4.750 3.520 2.817 4.127 . 0 0 "[ . 1 . 2]" 1
967 1 8 LYS QD 1 26 PHE QE 4.000 . 4.750 4.051 2.921 4.752 0.002 2 0 "[ . 1 . 2]" 1
968 1 8 LYS QE 1 26 PHE QD 4.000 . 4.750 3.310 2.427 4.556 . 0 0 "[ . 1 . 2]" 1
969 1 8 LYS QE 1 26 PHE QE 4.000 . 4.750 3.713 2.234 4.663 . 0 0 "[ . 1 . 2]" 1
970 1 9 LYS QE 1 14 GLU HA 3.000 . 3.500 2.710 2.008 3.220 . 0 0 "[ . 1 . 2]" 1
971 1 9 LYS QE 1 14 GLU QB 4.000 . 4.750 3.828 3.147 4.474 . 0 0 "[ . 1 . 2]" 1
972 1 9 LYS QE 1 14 GLU QG 4.000 . 4.750 3.564 2.754 4.751 0.001 19 0 "[ . 1 . 2]" 1
973 1 9 LYS H 1 16 MET HA 5.000 . 6.000 5.185 4.866 5.576 . 0 0 "[ . 1 . 2]" 1
974 1 9 LYS HA 1 16 MET HA 5.000 . 6.000 3.086 2.802 3.400 . 0 0 "[ . 1 . 2]" 1
975 1 9 LYS HA 1 16 MET QG 5.000 . 6.000 4.090 3.583 4.938 . 0 0 "[ . 1 . 2]" 1
976 1 9 LYS QE 1 16 MET ME 5.000 . 6.000 4.125 2.525 5.499 . 0 0 "[ . 1 . 2]" 1
977 1 9 LYS HA 1 17 PHE H 4.000 . 4.750 3.701 3.487 3.918 . 0 0 "[ . 1 . 2]" 1
978 1 9 LYS HA 1 17 PHE QD 5.000 . 6.000 4.479 4.299 4.638 . 0 0 "[ . 1 . 2]" 1
979 1 9 LYS HA 1 17 PHE QE 5.000 . 6.000 5.246 5.130 5.445 . 0 0 "[ . 1 . 2]" 1
980 1 9 LYS H 1 26 PHE HZ 5.000 . 6.000 4.253 3.912 4.559 . 0 0 "[ . 1 . 2]" 1
981 1 9 LYS H 1 26 PHE QE 5.000 . 6.000 4.632 4.421 4.843 . 0 0 "[ . 1 . 2]" 1
982 1 9 LYS HA 1 26 PHE QD 5.000 . 6.000 5.812 5.668 5.930 . 0 0 "[ . 1 . 2]" 1
983 1 9 LYS HA 1 26 PHE QE 5.000 . 6.000 3.943 3.785 4.039 . 0 0 "[ . 1 . 2]" 1
984 1 10 CYS H 1 17 PHE QE 4.000 . 4.750 4.194 4.039 4.407 . 0 0 "[ . 1 . 2]" 1
985 1 10 CYS HB3 1 17 PHE QE 4.000 . 4.750 3.923 3.846 4.091 . 0 0 "[ . 1 . 2]" 1
986 1 10 CYS HB2 1 17 PHE HZ 5.000 . 6.000 4.616 4.542 4.745 . 0 0 "[ . 1 . 2]" 1
987 1 10 CYS HB2 1 17 PHE QE 3.000 . 3.500 2.924 2.828 3.074 . 0 0 "[ . 1 . 2]" 1
988 1 10 CYS H 1 26 PHE QE 4.000 . 4.750 2.844 2.732 2.916 . 0 0 "[ . 1 . 2]" 1
989 1 10 CYS HA 1 26 PHE HZ 5.000 . 6.000 1.922 1.899 1.960 . 0 0 "[ . 1 . 2]" 1
990 1 10 CYS HA 1 26 PHE QE 5.000 . 6.000 2.837 2.764 2.906 . 0 0 "[ . 1 . 2]" 1
991 1 10 CYS HB2 1 26 PHE QD 5.000 . 6.000 3.735 3.674 3.877 . 0 0 "[ . 1 . 2]" 1
992 1 10 CYS H 1 29 HIS HD2 5.000 . 6.000 4.873 4.784 4.947 . 0 0 "[ . 1 . 2]" 1
993 1 10 CYS HB3 1 29 HIS HD2 3.000 . 3.500 3.521 3.508 3.538 0.038 19 0 "[ . 1 . 2]" 1
994 1 10 CYS HB2 1 29 HIS HD2 3.000 . 3.500 2.256 2.161 2.333 . 0 0 "[ . 1 . 2]" 1
995 1 10 CYS HB2 1 30 VAL MG1 5.000 . 6.000 4.448 4.136 4.714 . 0 0 "[ . 1 . 2]" 1
996 1 10 CYS HB2 1 30 VAL MG2 5.000 . 6.000 2.704 2.337 2.919 . 0 0 "[ . 1 . 2]" 1
997 1 11 PRO HA 1 26 PHE HZ 5.000 . 6.000 6.028 6.016 6.043 0.043 7 0 "[ . 1 . 2]" 1
998 1 11 PRO QG 1 26 PHE HZ 4.000 . 4.750 4.473 4.135 4.753 0.003 16 0 "[ . 1 . 2]" 1
999 1 11 PRO QG 1 26 PHE QE 5.000 . 6.000 4.821 4.564 5.016 . 0 0 "[ . 1 . 2]" 1
1000 1 11 PRO QD 1 26 PHE HZ 3.000 . 3.500 2.702 2.570 2.846 . 0 0 "[ . 1 . 2]" 1
1001 1 11 PRO QD 1 26 PHE QE 4.000 . 4.750 3.600 3.538 3.654 . 0 0 "[ . 1 . 2]" 1
1002 1 11 PRO QB 1 30 VAL MG2 5.000 . 6.000 5.162 4.978 5.340 . 0 0 "[ . 1 . 2]" 1
1003 1 11 PRO QG 1 30 VAL MG1 5.000 . 6.000 3.483 2.653 4.388 . 0 0 "[ . 1 . 2]" 1
1004 1 11 PRO QG 1 30 VAL MG2 5.000 . 6.000 4.108 3.546 4.656 . 0 0 "[ . 1 . 2]" 1
1005 1 11 PRO QD 1 30 VAL MG1 5.000 . 6.000 2.597 1.943 3.288 . 0 0 "[ . 1 . 2]" 1
1006 1 11 PRO QD 1 30 VAL MG2 5.000 . 6.000 2.631 2.160 3.081 . 0 0 "[ . 1 . 2]" 1
1007 1 12 LEU MD1 1 30 VAL HA 4.000 . 4.750 2.347 2.202 2.471 . 0 0 "[ . 1 . 2]" 1
1008 1 12 LEU MD1 1 30 VAL MG1 4.000 . 4.750 1.795 1.779 1.831 0.021 1 0 "[ . 1 . 2]" 1
1009 1 12 LEU MD2 1 30 VAL MG1 4.000 . 4.750 3.865 3.710 4.005 . 0 0 "[ . 1 . 2]" 1
1010 1 12 LEU H 1 33 HIS HD2 5.000 . 6.000 4.897 4.764 5.338 . 0 0 "[ . 1 . 2]" 1
1011 1 12 LEU HB3 1 33 HIS HD2 4.000 . 4.750 3.762 3.589 3.975 . 0 0 "[ . 1 . 2]" 1
1012 1 12 LEU HB2 1 33 HIS HD2 4.000 . 4.750 2.798 2.588 3.005 . 0 0 "[ . 1 . 2]" 1
1013 1 12 LEU HG 1 33 HIS HD2 4.000 . 4.750 4.769 4.762 4.777 0.027 9 0 "[ . 1 . 2]" 1
1014 1 12 LEU MD1 1 33 HIS HB3 4.000 . 4.750 3.271 3.005 3.393 . 0 0 "[ . 1 . 2]" 1
1015 1 12 LEU MD1 1 33 HIS HB2 4.000 . 4.750 1.897 1.840 1.949 . 0 0 "[ . 1 . 2]" 1
1016 1 12 LEU MD1 1 33 HIS HD2 4.000 . 4.750 2.159 1.928 2.391 . 0 0 "[ . 1 . 2]" 1
1017 1 12 LEU MD2 1 33 HIS H 5.000 . 6.000 4.557 4.169 5.018 . 0 0 "[ . 1 . 2]" 1
1018 1 12 LEU MD2 1 33 HIS HB3 4.000 . 4.750 2.507 2.148 3.023 . 0 0 "[ . 1 . 2]" 1
1019 1 12 LEU MD2 1 33 HIS HB2 5.000 . 6.000 2.357 1.970 2.946 . 0 0 "[ . 1 . 2]" 1
1020 1 12 LEU MD2 1 33 HIS HD2 4.000 . 4.750 4.247 4.015 4.524 . 0 0 "[ . 1 . 2]" 1
1021 1 12 LEU MD2 1 33 HIS HE1 5.000 . 6.000 6.016 5.949 6.037 0.037 5 0 "[ . 1 . 2]" 1
1022 1 12 LEU HB3 1 34 TRP HD1 4.000 . 4.750 4.650 4.447 4.762 0.012 12 0 "[ . 1 . 2]" 1
1023 1 12 LEU HG 1 34 TRP HD1 5.000 . 6.000 4.364 4.067 4.651 . 0 0 "[ . 1 . 2]" 1
1024 1 12 LEU MD1 1 34 TRP H 5.000 . 6.000 3.425 3.309 3.598 . 0 0 "[ . 1 . 2]" 1
1025 1 12 LEU MD1 1 34 TRP HD1 4.000 . 4.750 1.891 1.817 1.997 . 0 0 "[ . 1 . 2]" 1
1026 1 12 LEU MD1 1 34 TRP HE1 5.000 . 6.000 2.062 1.937 2.177 . 0 0 "[ . 1 . 2]" 1
1027 1 12 LEU MD1 1 34 TRP HE3 5.000 . 6.000 6.021 5.982 6.038 0.038 10 0 "[ . 1 . 2]" 1
1028 1 12 LEU MD1 1 34 TRP HZ2 5.000 . 6.000 4.371 4.252 4.510 . 0 0 "[ . 1 . 2]" 1
1029 1 12 LEU MD2 1 34 TRP HD1 5.000 . 6.000 2.367 1.942 2.777 . 0 0 "[ . 1 . 2]" 1
1030 1 12 LEU MD2 1 34 TRP HE1 5.000 . 6.000 2.866 2.403 3.341 . 0 0 "[ . 1 . 2]" 1
1031 1 12 LEU MD2 1 34 TRP HZ2 5.000 . 6.000 5.122 4.645 5.492 . 0 0 "[ . 1 . 2]" 1
1032 1 12 LEU MD1 1 46 PRO HA 5.000 . 6.000 5.821 5.511 6.018 0.018 11 0 "[ . 1 . 2]" 1
1033 1 12 LEU MD1 1 46 PRO QB 4.000 . 4.750 4.255 3.878 4.760 0.010 12 0 "[ . 1 . 2]" 1
1034 1 12 LEU MD1 1 46 PRO QG 4.000 . 4.750 3.245 2.824 3.571 . 0 0 "[ . 1 . 2]" 1
1035 1 12 LEU MD1 1 46 PRO QD 5.000 . 6.000 3.600 3.271 3.832 . 0 0 "[ . 1 . 2]" 1
1036 1 12 LEU MD2 1 46 PRO HA 5.000 . 6.000 4.088 3.753 4.655 . 0 0 "[ . 1 . 2]" 1
1037 1 12 LEU MD2 1 46 PRO QB 4.000 . 4.750 2.368 1.980 3.068 . 0 0 "[ . 1 . 2]" 1
1038 1 12 LEU MD2 1 46 PRO QG 4.000 . 4.750 1.947 1.775 2.284 0.025 11 0 "[ . 1 . 2]" 1
1039 1 12 LEU MD2 1 46 PRO QD 5.000 . 6.000 2.886 2.508 3.411 . 0 0 "[ . 1 . 2]" 1
1040 1 13 CYS H 1 33 HIS HD2 5.000 . 6.000 5.415 4.691 5.659 . 0 0 "[ . 1 . 2]" 1
1041 1 13 CYS HA 1 33 HIS HE1 4.000 . 4.750 4.748 4.628 4.765 0.015 17 0 "[ . 1 . 2]" 1
1042 1 13 CYS HB3 1 33 HIS HE1 3.000 . 3.500 2.331 2.186 2.373 . 0 0 "[ . 1 . 2]" 1
1043 1 13 CYS HB2 1 33 HIS HE1 3.000 . 3.500 3.464 3.343 3.516 0.016 11 0 "[ . 1 . 2]" 1
1044 1 15 LEU QD 1 21 TYR QE 5.000 . 6.000 5.234 4.782 5.548 . 0 0 "[ . 1 . 2]" 1
1045 1 15 LEU HB3 1 29 HIS HE1 4.000 . 4.750 3.411 3.042 3.655 . 0 0 "[ . 1 . 2]" 1
1046 1 15 LEU HB2 1 29 HIS HE1 4.000 . 4.750 3.305 2.959 3.542 . 0 0 "[ . 1 . 2]" 1
1047 1 15 LEU HG 1 29 HIS HE1 5.000 . 6.000 5.168 3.373 5.689 . 0 0 "[ . 1 . 2]" 1
1048 1 15 LEU QD 1 29 HIS HD2 5.000 . 6.000 5.775 5.370 6.006 0.006 10 0 "[ . 1 . 2]" 1
1049 1 15 LEU QD 1 29 HIS HE1 4.000 . 4.750 3.000 2.322 4.042 . 0 0 "[ . 1 . 2]" 1
1050 1 15 LEU QD 1 33 HIS HE1 5.000 . 6.000 4.853 4.561 5.932 . 0 0 "[ . 1 . 2]" 1
1051 1 17 PHE HB3 1 26 PHE QD 4.000 . 4.750 4.763 4.753 4.769 0.019 14 0 "[ . 1 . 2]" 1
1052 1 17 PHE HB2 1 26 PHE QD 4.000 . 4.750 4.308 4.224 4.363 . 0 0 "[ . 1 . 2]" 1
1053 1 17 PHE QE 1 26 PHE H 5.000 . 6.000 5.958 5.899 6.007 0.007 9 0 "[ . 1 . 2]" 1
1054 1 17 PHE QE 1 26 PHE HA 4.000 . 4.750 3.443 3.394 3.500 . 0 0 "[ . 1 . 2]" 1
1055 1 17 PHE QE 1 26 PHE HB3 5.000 . 6.000 5.566 5.534 5.595 . 0 0 "[ . 1 . 2]" 1
1056 1 17 PHE QE 1 26 PHE HB2 5.000 . 6.000 4.585 4.534 4.642 . 0 0 "[ . 1 . 2]" 1
1057 1 17 PHE QE 1 26 PHE HZ 4.000 . 4.750 4.762 4.756 4.768 0.018 20 0 "[ . 1 . 2]" 1
1058 1 17 PHE QE 1 26 PHE QE 3.000 . 3.500 2.392 2.370 2.424 . 0 0 "[ . 1 . 2]" 1
1059 1 17 PHE HZ 1 29 HIS HA 5.000 . 6.000 5.323 5.188 5.449 . 0 0 "[ . 1 . 2]" 1
1060 1 17 PHE HZ 1 29 HIS HB3 4.000 . 4.750 3.874 3.758 3.984 . 0 0 "[ . 1 . 2]" 1
1061 1 17 PHE HZ 1 29 HIS HB2 4.000 . 4.750 3.469 3.299 3.614 . 0 0 "[ . 1 . 2]" 1
1062 1 17 PHE HZ 1 29 HIS HE1 4.000 . 4.750 2.889 2.823 2.967 . 0 0 "[ . 1 . 2]" 1
1063 1 17 PHE QE 1 29 HIS HB3 4.000 . 4.750 3.366 3.211 3.445 . 0 0 "[ . 1 . 2]" 1
1064 1 17 PHE QE 1 29 HIS HB2 4.000 . 4.750 3.995 3.844 4.087 . 0 0 "[ . 1 . 2]" 1
1065 1 17 PHE QE 1 29 HIS HD2 3.000 . 3.500 2.547 2.480 2.584 . 0 0 "[ . 1 . 2]" 1
1066 1 17 PHE QE 1 29 HIS HE1 5.000 . 6.000 3.896 3.861 3.923 . 0 0 "[ . 1 . 2]" 1
1067 1 17 PHE QE 1 30 VAL H 4.000 . 4.750 4.783 4.770 4.795 0.045 7 0 "[ . 1 . 2]" 1
1068 1 17 PHE QE 1 30 VAL MG2 5.000 . 6.000 3.732 3.628 3.844 . 0 0 "[ . 1 . 2]" 1
1069 1 21 TYR QD 1 26 PHE H 4.000 . 4.750 3.479 3.394 3.540 . 0 0 "[ . 1 . 2]" 1
1070 1 21 TYR QD 1 26 PHE HA 4.000 . 4.750 4.161 3.981 4.251 . 0 0 "[ . 1 . 2]" 1
1071 1 21 TYR QD 1 26 PHE HB2 2.500 . 2.800 2.474 2.346 2.567 . 0 0 "[ . 1 . 2]" 1
1072 1 21 TYR QD 1 26 PHE QD 4.000 . 4.750 4.111 4.010 4.187 . 0 0 "[ . 1 . 2]" 1
1073 1 21 TYR QE 1 26 PHE H 4.000 . 4.750 2.296 2.244 2.417 . 0 0 "[ . 1 . 2]" 1
1074 1 21 TYR QE 1 26 PHE HA 3.000 . 3.500 2.292 2.216 2.394 . 0 0 "[ . 1 . 2]" 1
1075 1 21 TYR QE 1 26 PHE QD 3.000 . 3.500 3.367 3.230 3.487 . 0 0 "[ . 1 . 2]" 1
1076 1 21 TYR QD 1 27 GLU H 5.000 . 6.000 5.689 5.592 5.755 . 0 0 "[ . 1 . 2]" 1
1077 1 21 TYR QE 1 27 GLU H 5.000 . 6.000 4.450 4.423 4.525 . 0 0 "[ . 1 . 2]" 1
1078 1 21 TYR QE 1 29 HIS H 4.000 . 4.750 4.784 4.767 4.798 0.048 13 0 "[ . 1 . 2]" 1
1079 1 21 TYR QE 1 29 HIS HB3 4.000 . 4.750 4.045 3.969 4.132 . 0 0 "[ . 1 . 2]" 1
1080 1 21 TYR QE 1 29 HIS HB2 5.000 . 6.000 4.667 4.600 4.777 . 0 0 "[ . 1 . 2]" 1
1081 1 31 GLU H 1 43 GLN HE22 5.000 . 6.000 4.701 4.512 4.847 . 0 0 "[ . 1 . 2]" 1
1082 1 31 GLU QB 1 43 GLN HE21 5.000 . 6.000 3.164 2.272 3.526 . 0 0 "[ . 1 . 2]" 1
1083 1 31 GLU QB 1 43 GLN HE22 5.000 . 6.000 2.406 1.939 2.947 . 0 0 "[ . 1 . 2]" 1
1084 1 32 SER H 1 43 GLN HE22 5.000 . 6.000 5.441 5.217 6.008 0.008 11 0 "[ . 1 . 2]" 1
1085 1 33 HIS HB2 1 46 PRO QG 5.000 . 6.000 4.754 3.984 5.186 . 0 0 "[ . 1 . 2]" 1
1086 1 34 TRP HE1 1 43 GLN HE21 5.000 . 6.000 6.014 6.002 6.035 0.035 19 0 "[ . 1 . 2]" 1
1087 1 34 TRP HE1 1 43 GLN HE22 5.000 . 6.000 5.254 4.828 6.006 0.006 11 0 "[ . 1 . 2]" 1
1088 1 34 TRP HE3 1 43 GLN H 5.000 . 6.000 5.712 5.596 5.813 . 0 0 "[ . 1 . 2]" 1
1089 1 34 TRP HE3 1 43 GLN HA 5.000 . 6.000 4.156 4.039 4.602 . 0 0 "[ . 1 . 2]" 1
1090 1 34 TRP HE3 1 43 GLN HE22 5.000 . 6.000 2.742 2.453 3.425 . 0 0 "[ . 1 . 2]" 1
1091 1 34 TRP HE3 1 43 GLN QB 3.000 . 3.500 2.527 2.357 2.875 . 0 0 "[ . 1 . 2]" 1
1092 1 34 TRP HE3 1 43 GLN QG 5.000 . 6.000 3.783 3.524 3.958 . 0 0 "[ . 1 . 2]" 1
1093 1 34 TRP HZ3 1 43 GLN QB 4.000 . 4.750 3.350 3.153 4.742 . 0 0 "[ . 1 . 2]" 1
1094 1 34 TRP HZ3 1 43 GLN QG 5.000 . 6.000 5.088 4.145 5.368 . 0 0 "[ . 1 . 2]" 1
1095 1 34 TRP HA 1 44 PHE H 5.000 . 6.000 5.307 5.214 5.394 . 0 0 "[ . 1 . 2]" 1
1096 1 34 TRP HE3 1 44 PHE H 4.000 . 4.750 3.446 3.273 3.732 . 0 0 "[ . 1 . 2]" 1
1097 1 34 TRP HE3 1 44 PHE HA 5.000 . 6.000 4.085 3.508 4.219 . 0 0 "[ . 1 . 2]" 1
1098 1 34 TRP HE3 1 44 PHE QD 5.000 . 6.000 5.775 5.459 5.902 . 0 0 "[ . 1 . 2]" 1
1099 1 34 TRP HZ3 1 44 PHE H 5.000 . 6.000 5.295 5.123 5.624 . 0 0 "[ . 1 . 2]" 1
1100 1 34 TRP HZ3 1 44 PHE HA 5.000 . 6.000 4.622 4.016 4.758 . 0 0 "[ . 1 . 2]" 1
1101 1 34 TRP QB 1 44 PHE H 4.000 . 4.750 3.157 3.092 3.236 . 0 0 "[ . 1 . 2]" 1
1102 1 34 TRP HA 1 45 PRO HA 5.000 . 6.000 4.266 4.191 4.355 . 0 0 "[ . 1 . 2]" 1
1103 1 34 TRP HD1 1 45 PRO HA 5.000 . 6.000 4.630 4.600 4.683 . 0 0 "[ . 1 . 2]" 1
1104 1 34 TRP HE1 1 45 PRO HA 5.000 . 6.000 4.285 4.244 4.369 . 0 0 "[ . 1 . 2]" 1
1105 1 34 TRP HE1 1 45 PRO QB 5.000 . 6.000 4.877 4.836 4.940 . 0 0 "[ . 1 . 2]" 1
1106 1 34 TRP HE1 1 45 PRO QG 5.000 . 6.000 6.020 6.009 6.032 0.032 13 0 "[ . 1 . 2]" 1
1107 1 34 TRP HE3 1 45 PRO HA 4.000 . 4.750 3.051 2.940 3.163 . 0 0 "[ . 1 . 2]" 1
1108 1 34 TRP HE3 1 45 PRO QD 5.000 . 6.000 3.681 3.543 3.830 . 0 0 "[ . 1 . 2]" 1
1109 1 34 TRP HZ2 1 45 PRO HA 5.000 . 6.000 4.008 3.895 4.126 . 0 0 "[ . 1 . 2]" 1
1110 1 34 TRP HZ2 1 45 PRO QB 5.000 . 6.000 3.638 3.570 3.707 . 0 0 "[ . 1 . 2]" 1
1111 1 34 TRP HZ2 1 45 PRO QG 5.000 . 6.000 4.418 4.360 4.456 . 0 0 "[ . 1 . 2]" 1
1112 1 34 TRP HZ3 1 45 PRO QB 4.000 . 4.750 3.857 3.715 4.004 . 0 0 "[ . 1 . 2]" 1
1113 1 34 TRP HZ3 1 45 PRO QG 4.000 . 4.750 2.382 2.181 2.582 . 0 0 "[ . 1 . 2]" 1
1114 1 34 TRP HZ3 1 45 PRO QD 4.000 . 4.750 3.224 2.977 3.360 . 0 0 "[ . 1 . 2]" 1
1115 1 34 TRP HH2 1 45 PRO HA 5.000 . 6.000 4.034 3.899 4.119 . 0 0 "[ . 1 . 2]" 1
1116 1 34 TRP HH2 1 45 PRO QB 4.000 . 4.750 3.356 3.243 3.498 . 0 0 "[ . 1 . 2]" 1
1117 1 34 TRP HH2 1 45 PRO QG 4.000 . 4.750 2.902 2.779 2.989 . 0 0 "[ . 1 . 2]" 1
1118 1 34 TRP HH2 1 45 PRO QD 4.000 . 4.750 4.721 4.553 4.770 0.020 12 0 "[ . 1 . 2]" 1
1119 1 34 TRP H 1 46 PRO QG 5.000 . 6.000 5.573 4.595 6.010 0.010 17 0 "[ . 1 . 2]" 1
1120 1 34 TRP HA 1 46 PRO QD 4.000 . 4.750 3.304 3.233 3.348 . 0 0 "[ . 1 . 2]" 1
1121 1 34 TRP HD1 1 46 PRO QB 4.000 . 4.750 4.287 3.962 4.757 0.007 12 0 "[ . 1 . 2]" 1
1122 1 34 TRP HD1 1 46 PRO QG 4.000 . 4.750 3.501 2.736 3.875 . 0 0 "[ . 1 . 2]" 1
1123 1 34 TRP HD1 1 46 PRO QD 4.000 . 4.750 2.967 2.887 3.067 . 0 0 "[ . 1 . 2]" 1
1124 1 34 TRP HE1 1 46 PRO QB 5.000 . 6.000 4.577 4.418 4.841 . 0 0 "[ . 1 . 2]" 1
1125 1 34 TRP HE1 1 46 PRO QG 5.000 . 6.000 2.980 2.866 3.114 . 0 0 "[ . 1 . 2]" 1
1126 1 34 TRP HE1 1 46 PRO QD 4.000 . 4.750 2.635 2.560 2.777 . 0 0 "[ . 1 . 2]" 1
1127 1 34 TRP HE3 1 46 PRO QD 5.000 . 6.000 4.241 3.961 4.382 . 0 0 "[ . 1 . 2]" 1
1128 1 34 TRP HZ2 1 46 PRO QB 5.000 . 6.000 6.004 5.952 6.030 0.030 15 0 "[ . 1 . 2]" 1
1129 1 34 TRP HZ2 1 46 PRO QD 5.000 . 6.000 3.236 3.149 3.355 . 0 0 "[ . 1 . 2]" 1
1130 1 34 TRP HZ3 1 46 PRO QD 5.000 . 6.000 4.773 4.678 4.852 . 0 0 "[ . 1 . 2]" 1
1131 1 35 LYS H 1 43 GLN HA 5.000 . 6.000 5.348 4.936 5.414 . 0 0 "[ . 1 . 2]" 1
1132 1 35 LYS H 1 44 PHE H 4.000 . 4.750 3.609 3.399 3.657 . 0 0 "[ . 1 . 2]" 1
1133 1 35 LYS H 1 44 PHE HA 5.000 . 6.000 5.110 5.058 5.155 . 0 0 "[ . 1 . 2]" 1
1134 1 35 LYS H 1 44 PHE HB2 4.000 . 4.750 3.372 3.238 3.818 . 0 0 "[ . 1 . 2]" 1
1135 1 35 LYS H 1 44 PHE QD 5.000 . 6.000 4.864 4.665 4.909 . 0 0 "[ . 1 . 2]" 1
1136 1 35 LYS HA 1 44 PHE H 5.000 . 6.000 4.785 4.572 4.832 . 0 0 "[ . 1 . 2]" 1
1137 1 35 LYS HA 1 44 PHE QD 5.000 . 6.000 4.907 4.781 4.989 . 0 0 "[ . 1 . 2]" 1
1138 1 35 LYS HB3 1 44 PHE HB2 4.000 . 4.750 2.800 2.517 3.539 . 0 0 "[ . 1 . 2]" 1
1139 1 35 LYS HB2 1 44 PHE H 4.000 . 4.750 3.992 3.500 4.140 . 0 0 "[ . 1 . 2]" 1
1140 1 35 LYS HB2 1 44 PHE HB3 4.000 . 4.750 3.340 3.193 4.218 . 0 0 "[ . 1 . 2]" 1
1141 1 35 LYS HB2 1 44 PHE HB2 4.000 . 4.750 2.249 2.142 2.579 . 0 0 "[ . 1 . 2]" 1
1142 1 35 LYS HB2 1 44 PHE QD 4.000 . 4.750 3.984 3.731 4.055 . 0 0 "[ . 1 . 2]" 1
1143 1 35 LYS HB2 1 44 PHE QE 5.000 . 6.000 5.968 5.742 6.007 0.007 12 0 "[ . 1 . 2]" 1
1144 1 35 LYS QD 1 44 PHE H 5.000 . 6.000 5.575 5.108 5.745 . 0 0 "[ . 1 . 2]" 1
1145 1 35 LYS QD 1 44 PHE HB3 5.000 . 6.000 4.046 3.844 4.680 . 0 0 "[ . 1 . 2]" 1
1146 1 35 LYS QD 1 44 PHE HB2 4.000 . 4.750 3.719 3.595 3.882 . 0 0 "[ . 1 . 2]" 1
1147 1 35 LYS QD 1 44 PHE QD 5.000 . 6.000 5.028 4.921 5.096 . 0 0 "[ . 1 . 2]" 1
1148 1 35 LYS H 1 46 PRO QG 5.000 . 6.000 5.606 4.579 6.023 0.023 16 0 "[ . 1 . 2]" 1
1149 1 35 LYS HB2 1 46 PRO HA 4.000 . 4.750 4.766 4.759 4.773 0.023 20 0 "[ . 1 . 2]" 1
1150 1 35 LYS QD 1 46 PRO HA 4.000 . 4.750 3.282 2.921 3.658 . 0 0 "[ . 1 . 2]" 1
1151 1 35 LYS HB2 1 48 TYR QD 5.000 . 6.000 5.359 5.276 5.429 . 0 0 "[ . 1 . 2]" 1
1152 1 35 LYS QD 1 48 TYR HB3 4.000 . 4.750 3.731 3.641 3.835 . 0 0 "[ . 1 . 2]" 1
1153 1 35 LYS QD 1 48 TYR HB2 4.000 . 4.750 4.761 4.756 4.767 0.017 17 0 "[ . 1 . 2]" 1
1154 1 35 LYS QD 1 48 TYR QD 4.000 . 4.750 4.746 4.655 4.758 0.008 20 0 "[ . 1 . 2]" 1
1155 1 35 LYS QE 1 50 GLN HA 4.000 . 4.750 3.095 2.524 3.893 . 0 0 "[ . 1 . 2]" 1
1156 1 35 LYS HA 1 53 PHE QD 5.000 . 6.000 5.177 4.973 5.375 . 0 0 "[ . 1 . 2]" 1
1157 1 35 LYS HA 1 53 PHE QE 5.000 . 6.000 4.214 3.985 4.373 . 0 0 "[ . 1 . 2]" 1
1158 1 35 LYS HB3 1 53 PHE HZ 4.000 . 4.750 3.709 3.393 3.953 . 0 0 "[ . 1 . 2]" 1
1159 1 35 LYS HB3 1 53 PHE QD 4.000 . 4.750 3.198 3.007 3.322 . 0 0 "[ . 1 . 2]" 1
1160 1 35 LYS HB3 1 53 PHE QE 4.000 . 4.750 3.132 2.856 3.384 . 0 0 "[ . 1 . 2]" 1
1161 1 35 LYS HB2 1 53 PHE QD 4.000 . 4.750 4.215 3.954 4.319 . 0 0 "[ . 1 . 2]" 1
1162 1 35 LYS HB2 1 53 PHE QE 4.000 . 4.750 4.577 4.299 4.748 . 0 0 "[ . 1 . 2]" 1
1163 1 35 LYS QG 1 53 PHE HZ 4.000 . 4.750 4.352 4.046 4.593 . 0 0 "[ . 1 . 2]" 1
1164 1 35 LYS QG 1 53 PHE QD 4.000 . 4.750 2.971 2.549 3.254 . 0 0 "[ . 1 . 2]" 1
1165 1 35 LYS QG 1 53 PHE QE 4.000 . 4.750 2.802 2.511 3.031 . 0 0 "[ . 1 . 2]" 1
1166 1 35 LYS QD 1 53 PHE HB3 4.000 . 4.750 3.963 3.368 4.349 . 0 0 "[ . 1 . 2]" 1
1167 1 35 LYS QD 1 53 PHE HB2 4.000 . 4.750 3.857 3.463 4.166 . 0 0 "[ . 1 . 2]" 1
1168 1 35 LYS QD 1 53 PHE HZ 5.000 . 6.000 5.893 5.526 6.005 0.005 1 0 "[ . 1 . 2]" 1
1169 1 35 LYS QD 1 53 PHE QD 5.000 . 6.000 3.457 2.809 3.786 . 0 0 "[ . 1 . 2]" 1
1170 1 35 LYS QD 1 53 PHE QE 4.000 . 4.750 4.484 4.017 4.637 . 0 0 "[ . 1 . 2]" 1
1171 1 35 LYS QE 1 53 PHE HZ 5.000 . 6.000 5.970 5.770 6.015 0.015 12 0 "[ . 1 . 2]" 1
1172 1 35 LYS QE 1 53 PHE QE 4.000 . 4.750 3.991 3.786 4.102 . 0 0 "[ . 1 . 2]" 1
1173 1 36 VAL MG1 1 41 SER HA 4.000 . 4.750 2.602 2.521 2.699 . 0 0 "[ . 1 . 2]" 1
1174 1 36 VAL MG1 1 41 SER QB 5.000 . 6.000 3.883 3.453 4.101 . 0 0 "[ . 1 . 2]" 1
1175 1 36 VAL MG2 1 41 SER HA 5.000 . 6.000 5.103 5.006 5.192 . 0 0 "[ . 1 . 2]" 1
1176 1 36 VAL MG2 1 41 SER QB 5.000 . 6.000 5.842 5.337 6.028 0.028 15 0 "[ . 1 . 2]" 1
1177 1 36 VAL HA 1 42 GLU H 5.000 . 6.000 4.622 4.511 4.735 . 0 0 "[ . 1 . 2]" 1
1178 1 36 VAL MG1 1 42 GLU H 5.000 . 6.000 3.093 2.937 3.313 . 0 0 "[ . 1 . 2]" 1
1179 1 36 VAL MG1 1 42 GLU HA 5.000 . 6.000 3.916 3.692 4.061 . 0 0 "[ . 1 . 2]" 1
1180 1 36 VAL MG2 1 42 GLU H 5.000 . 6.000 5.411 5.299 5.566 . 0 0 "[ . 1 . 2]" 1
1181 1 36 VAL MG2 1 42 GLU HA 5.000 . 6.000 5.402 5.288 5.511 . 0 0 "[ . 1 . 2]" 1
1182 1 36 VAL H 1 43 GLN HA 5.000 . 6.000 4.975 4.249 5.114 . 0 0 "[ . 1 . 2]" 1
1183 1 36 VAL HA 1 43 GLN H 5.000 . 6.000 4.869 4.320 4.948 . 0 0 "[ . 1 . 2]" 1
1184 1 36 VAL HA 1 43 GLN HA 5.000 . 6.000 2.609 1.875 2.714 . 0 0 "[ . 1 . 2]" 1
1185 1 36 VAL HA 1 43 GLN QB 5.000 . 6.000 4.743 3.270 4.893 . 0 0 "[ . 1 . 2]" 1
1186 1 36 VAL HA 1 43 GLN QG 4.000 . 4.750 3.865 3.656 4.796 0.046 15 0 "[ . 1 . 2]" 1
1187 1 36 VAL MG1 1 43 GLN H 5.000 . 6.000 4.015 3.291 4.206 . 0 0 "[ . 1 . 2]" 1
1188 1 36 VAL MG1 1 43 GLN HA 5.000 . 6.000 2.798 2.667 2.967 . 0 0 "[ . 1 . 2]" 1
1189 1 36 VAL MG1 1 43 GLN HE21 5.000 . 6.000 4.961 4.654 5.673 . 0 0 "[ . 1 . 2]" 1
1190 1 36 VAL MG1 1 43 GLN HE22 5.000 . 6.000 5.782 5.692 6.002 0.002 11 0 "[ . 1 . 2]" 1
1191 1 36 VAL MG1 1 43 GLN QB 5.000 . 6.000 3.878 2.103 4.065 . 0 0 "[ . 1 . 2]" 1
1192 1 36 VAL MG1 1 43 GLN QG 5.000 . 6.000 2.619 2.460 3.438 . 0 0 "[ . 1 . 2]" 1
1193 1 36 VAL MG2 1 43 GLN H 5.000 . 6.000 4.621 4.135 4.779 . 0 0 "[ . 1 . 2]" 1
1194 1 36 VAL MG2 1 43 GLN HA 5.000 . 6.000 2.251 2.071 2.532 . 0 0 "[ . 1 . 2]" 1
1195 1 36 VAL MG2 1 43 GLN HE21 5.000 . 6.000 3.207 2.723 4.234 . 0 0 "[ . 1 . 2]" 1
1196 1 36 VAL MG2 1 43 GLN HE22 5.000 . 6.000 3.975 3.774 4.495 . 0 0 "[ . 1 . 2]" 1
1197 1 36 VAL MG2 1 43 GLN QB 5.000 . 6.000 3.438 1.786 3.687 0.014 15 0 "[ . 1 . 2]" 1
1198 1 36 VAL MG2 1 43 GLN QG 5.000 . 6.000 1.911 1.795 3.520 0.005 6 0 "[ . 1 . 2]" 1
1199 1 36 VAL H 1 44 PHE H 5.000 . 6.000 4.671 4.505 4.738 . 0 0 "[ . 1 . 2]" 1
1200 1 36 VAL H 1 44 PHE QD 5.000 . 6.000 4.471 4.376 4.823 . 0 0 "[ . 1 . 2]" 1
1201 1 36 VAL H 1 44 PHE QE 5.000 . 6.000 5.996 5.919 6.031 0.031 15 0 "[ . 1 . 2]" 1
1202 1 36 VAL HA 1 44 PHE H 4.000 . 4.750 3.097 3.076 3.141 . 0 0 "[ . 1 . 2]" 1
1203 1 36 VAL HA 1 44 PHE QD 4.000 . 4.750 2.571 2.466 3.005 . 0 0 "[ . 1 . 2]" 1
1204 1 36 VAL HA 1 44 PHE QE 4.000 . 4.750 3.793 3.715 3.891 . 0 0 "[ . 1 . 2]" 1
1205 1 36 VAL MG1 1 44 PHE H 5.000 . 6.000 4.314 4.256 4.446 . 0 0 "[ . 1 . 2]" 1
1206 1 36 VAL MG1 1 44 PHE QD 5.000 . 6.000 4.263 4.143 4.566 . 0 0 "[ . 1 . 2]" 1
1207 1 36 VAL MG1 1 44 PHE QE 5.000 . 6.000 4.479 4.341 4.673 . 0 0 "[ . 1 . 2]" 1
1208 1 36 VAL MG2 1 44 PHE H 5.000 . 6.000 2.898 2.774 3.172 . 0 0 "[ . 1 . 2]" 1
1209 1 36 VAL MG2 1 44 PHE QD 5.000 . 6.000 4.053 3.908 4.228 . 0 0 "[ . 1 . 2]" 1
1210 1 36 VAL MG2 1 44 PHE QE 5.000 . 6.000 5.408 5.306 5.538 . 0 0 "[ . 1 . 2]" 1
1211 1 36 VAL H 1 53 PHE HZ 4.000 . 4.750 3.726 3.563 3.908 . 0 0 "[ . 1 . 2]" 1
1212 1 36 VAL H 1 53 PHE QE 4.000 . 4.750 4.243 4.101 4.375 . 0 0 "[ . 1 . 2]" 1
1213 1 36 VAL HB 1 53 PHE HZ 5.000 . 6.000 5.293 5.050 5.465 . 0 0 "[ . 1 . 2]" 1
1214 1 37 CYS H 1 42 GLU H 4.000 . 4.750 2.956 2.866 3.054 . 0 0 "[ . 1 . 2]" 1
1215 1 37 CYS H 1 42 GLU HA 5.000 . 6.000 4.660 4.473 4.722 . 0 0 "[ . 1 . 2]" 1
1216 1 37 CYS H 1 42 GLU QB 5.000 . 6.000 3.285 3.194 3.527 . 0 0 "[ . 1 . 2]" 1
1217 1 37 CYS HB3 1 42 GLU H 3.000 . 3.500 2.168 2.061 2.268 . 0 0 "[ . 1 . 2]" 1
1218 1 37 CYS HB3 1 42 GLU QB 4.000 . 4.750 2.633 2.388 2.876 . 0 0 "[ . 1 . 2]" 1
1219 1 37 CYS HB2 1 42 GLU H 4.000 . 4.750 3.704 3.572 3.818 . 0 0 "[ . 1 . 2]" 1
1220 1 37 CYS HB2 1 42 GLU QB 4.000 . 4.750 3.261 3.060 3.437 . 0 0 "[ . 1 . 2]" 1
1221 1 37 CYS H 1 43 GLN H 5.000 . 6.000 5.055 4.691 5.116 . 0 0 "[ . 1 . 2]" 1
1222 1 37 CYS H 1 43 GLN HA 4.000 . 4.750 3.956 3.406 4.036 . 0 0 "[ . 1 . 2]" 1
1223 1 37 CYS H 1 43 GLN QG 5.000 . 6.000 5.134 4.979 5.695 . 0 0 "[ . 1 . 2]" 1
1224 1 37 CYS H 1 44 PHE H 4.000 . 4.750 4.768 4.754 4.782 0.032 7 0 "[ . 1 . 2]" 1
1225 1 37 CYS H 1 44 PHE HZ 5.000 . 6.000 5.146 5.059 5.252 . 0 0 "[ . 1 . 2]" 1
1226 1 37 CYS H 1 44 PHE QD 4.000 . 4.750 3.165 3.075 3.765 . 0 0 "[ . 1 . 2]" 1
1227 1 37 CYS H 1 44 PHE QE 4.000 . 4.750 2.752 2.645 2.947 . 0 0 "[ . 1 . 2]" 1
1228 1 37 CYS HA 1 44 PHE QE 4.000 . 4.750 4.202 4.096 4.533 . 0 0 "[ . 1 . 2]" 1
1229 1 37 CYS HB3 1 44 PHE HZ 5.000 . 6.000 4.668 4.578 4.857 . 0 0 "[ . 1 . 2]" 1
1230 1 37 CYS HB3 1 44 PHE QE 3.000 . 3.500 3.087 2.975 3.509 0.009 15 0 "[ . 1 . 2]" 1
1231 1 37 CYS HB2 1 44 PHE HZ 5.000 . 6.000 3.851 3.740 4.098 . 0 0 "[ . 1 . 2]" 1
1232 1 37 CYS HB2 1 44 PHE QD 4.000 . 4.750 4.042 3.950 4.529 . 0 0 "[ . 1 . 2]" 1
1233 1 37 CYS HB2 1 44 PHE QE 3.000 . 3.500 2.202 2.076 2.627 . 0 0 "[ . 1 . 2]" 1
1234 1 37 CYS H 1 53 PHE HZ 5.000 . 6.000 4.200 3.893 4.379 . 0 0 "[ . 1 . 2]" 1
1235 1 37 CYS H 1 53 PHE QD 5.000 . 6.000 4.737 4.594 4.832 . 0 0 "[ . 1 . 2]" 1
1236 1 37 CYS H 1 53 PHE QE 4.000 . 4.750 2.920 2.723 3.058 . 0 0 "[ . 1 . 2]" 1
1237 1 37 CYS HA 1 53 PHE HZ 3.000 . 3.500 2.896 2.682 3.149 . 0 0 "[ . 1 . 2]" 1
1238 1 37 CYS HA 1 53 PHE QD 5.000 . 6.000 4.916 4.790 5.028 . 0 0 "[ . 1 . 2]" 1
1239 1 37 CYS HA 1 53 PHE QE 3.000 . 3.500 2.641 2.485 2.775 . 0 0 "[ . 1 . 2]" 1
1240 1 37 CYS HB3 1 53 PHE HZ 5.000 . 6.000 5.405 5.143 5.621 . 0 0 "[ . 1 . 2]" 1
1241 1 37 CYS HB3 1 53 PHE QD 5.000 . 6.000 5.248 5.113 5.375 . 0 0 "[ . 1 . 2]" 1
1242 1 37 CYS HB3 1 53 PHE QE 4.000 . 4.750 3.675 3.508 3.865 . 0 0 "[ . 1 . 2]" 1
1243 1 37 CYS HB2 1 53 PHE HZ 4.000 . 4.750 4.166 3.943 4.354 . 0 0 "[ . 1 . 2]" 1
1244 1 37 CYS HB2 1 53 PHE QD 5.000 . 6.000 3.667 3.528 3.812 . 0 0 "[ . 1 . 2]" 1
1245 1 37 CYS HB2 1 53 PHE QE 4.000 . 4.750 2.131 1.994 2.343 . 0 0 "[ . 1 . 2]" 1
1246 1 37 CYS H 1 56 HIS HD2 4.000 . 4.750 4.670 4.541 4.731 . 0 0 "[ . 1 . 2]" 1
1247 1 37 CYS HA 1 56 HIS HD2 4.000 . 4.750 4.207 4.140 4.267 . 0 0 "[ . 1 . 2]" 1
1248 1 37 CYS HB3 1 56 HIS HD2 3.000 . 3.500 3.538 3.525 3.548 0.048 12 0 "[ . 1 . 2]" 1
1249 1 37 CYS HB2 1 56 HIS HD2 3.000 . 3.500 2.209 2.165 2.245 . 0 0 "[ . 1 . 2]" 1
1250 1 37 CYS HB2 1 56 HIS HE1 4.000 . 4.750 4.761 4.752 4.769 0.019 7 0 "[ . 1 . 2]" 1
1251 1 37 CYS H 1 57 VAL MG1 5.000 . 6.000 4.754 4.446 4.865 . 0 0 "[ . 1 . 2]" 1
1252 1 37 CYS H 1 57 VAL MG2 5.000 . 6.000 4.534 4.385 4.653 . 0 0 "[ . 1 . 2]" 1
1253 1 37 CYS HA 1 57 VAL MG1 5.000 . 6.000 2.381 2.148 2.483 . 0 0 "[ . 1 . 2]" 1
1254 1 37 CYS HA 1 57 VAL MG2 5.000 . 6.000 3.032 2.897 3.238 . 0 0 "[ . 1 . 2]" 1
1255 1 37 CYS HB2 1 57 VAL MG2 5.000 . 6.000 2.885 2.766 3.028 . 0 0 "[ . 1 . 2]" 1
1256 1 38 PRO QG 1 53 PHE HZ 5.000 . 6.000 5.157 5.015 5.344 . 0 0 "[ . 1 . 2]" 1
1257 1 38 PRO QD 1 53 PHE HZ 4.000 . 4.750 3.419 3.290 3.630 . 0 0 "[ . 1 . 2]" 1
1258 1 38 PRO QD 1 53 PHE QE 4.000 . 4.750 3.947 3.817 4.056 . 0 0 "[ . 1 . 2]" 1
1259 1 38 PRO QD 1 56 HIS HD2 5.000 . 6.000 4.903 4.843 4.965 . 0 0 "[ . 1 . 2]" 1
1260 1 38 PRO QG 1 57 VAL MG1 4.000 . 4.750 3.054 3.002 3.110 . 0 0 "[ . 1 . 2]" 1
1261 1 38 PRO QG 1 57 VAL MG2 5.000 . 6.000 4.807 4.728 4.981 . 0 0 "[ . 1 . 2]" 1
1262 1 38 PRO QD 1 57 VAL MG1 5.000 . 6.000 1.846 1.797 1.921 0.003 17 0 "[ . 1 . 2]" 1
1263 1 38 PRO QD 1 57 VAL MG2 4.000 . 4.750 3.353 3.282 3.554 . 0 0 "[ . 1 . 2]" 1
1264 1 38 PRO QD 1 60 HIS HD2 4.000 . 4.750 4.765 4.757 4.772 0.022 12 0 "[ . 1 . 2]" 1
1265 1 39 MET H 1 56 HIS HD2 5.000 . 6.000 5.732 5.693 5.810 . 0 0 "[ . 1 . 2]" 1
1266 1 39 MET H 1 57 VAL HA 5.000 . 6.000 4.712 4.625 4.805 . 0 0 "[ . 1 . 2]" 1
1267 1 39 MET H 1 57 VAL MG2 5.000 . 6.000 5.175 5.108 5.397 . 0 0 "[ . 1 . 2]" 1
1268 1 39 MET ME 1 57 VAL MG1 5.000 . 6.000 3.784 3.695 3.822 . 0 0 "[ . 1 . 2]" 1
1269 1 39 MET ME 1 57 VAL MG2 5.000 . 6.000 6.003 5.891 6.019 0.019 3 0 "[ . 1 . 2]" 1
1270 1 39 MET QG 1 57 VAL MG1 4.000 . 4.750 2.709 2.506 2.861 . 0 0 "[ . 1 . 2]" 1
1271 1 39 MET QG 1 57 VAL MG2 5.000 . 6.000 5.026 4.828 5.225 . 0 0 "[ . 1 . 2]" 1
1272 1 39 MET H 1 60 HIS HD2 4.000 . 4.750 4.503 4.464 4.523 . 0 0 "[ . 1 . 2]" 1
1273 1 39 MET HA 1 60 HIS HD2 5.000 . 6.000 5.984 5.898 6.020 0.020 19 0 "[ . 1 . 2]" 1
1274 1 39 MET HB3 1 60 HIS HB3 5.000 . 6.000 1.944 1.911 1.986 . 0 0 "[ . 1 . 2]" 1
1275 1 39 MET HB3 1 60 HIS HB2 5.000 . 6.000 3.034 2.965 3.112 . 0 0 "[ . 1 . 2]" 1
1276 1 39 MET HB3 1 60 HIS HD2 4.000 . 4.750 4.292 4.226 4.374 . 0 0 "[ . 1 . 2]" 1
1277 1 39 MET HB3 1 60 HIS HE1 4.000 . 4.750 4.759 4.747 4.769 0.019 17 0 "[ . 1 . 2]" 1
1278 1 39 MET HB2 1 60 HIS HB3 4.000 . 4.750 2.650 2.584 2.740 . 0 0 "[ . 1 . 2]" 1
1279 1 39 MET HB2 1 60 HIS HB2 5.000 . 6.000 2.657 2.600 2.750 . 0 0 "[ . 1 . 2]" 1
1280 1 39 MET HB2 1 60 HIS HD2 3.000 . 3.500 2.974 2.891 3.009 . 0 0 "[ . 1 . 2]" 1
1281 1 39 MET HB2 1 60 HIS HE1 4.000 . 4.750 4.525 4.318 4.700 . 0 0 "[ . 1 . 2]" 1
1282 1 39 MET ME 1 60 HIS H 5.000 . 6.000 5.839 5.468 6.006 0.006 20 0 "[ . 1 . 2]" 1
1283 1 39 MET ME 1 60 HIS HB3 5.000 . 6.000 4.242 3.970 4.463 . 0 0 "[ . 1 . 2]" 1
1284 1 39 MET ME 1 60 HIS HB2 5.000 . 6.000 4.159 3.882 4.357 . 0 0 "[ . 1 . 2]" 1
1285 1 39 MET ME 1 60 HIS HD2 5.000 . 6.000 5.865 5.711 5.968 . 0 0 "[ . 1 . 2]" 1
1286 1 39 MET QG 1 60 HIS H 5.000 . 6.000 4.103 4.049 4.161 . 0 0 "[ . 1 . 2]" 1
1287 1 39 MET QG 1 60 HIS HB3 4.000 . 4.750 2.293 2.047 2.688 . 0 0 "[ . 1 . 2]" 1
1288 1 39 MET QG 1 60 HIS HB2 4.000 . 4.750 1.921 1.903 1.949 . 0 0 "[ . 1 . 2]" 1
1289 1 39 MET QG 1 60 HIS HD2 4.000 . 4.750 3.680 3.368 3.867 . 0 0 "[ . 1 . 2]" 1
1290 1 39 MET ME 1 61 PHE H 5.000 . 6.000 4.835 4.317 5.520 . 0 0 "[ . 1 . 2]" 1
1291 1 39 MET ME 1 61 PHE QD 4.000 . 4.750 2.385 1.958 3.644 . 0 0 "[ . 1 . 2]" 1
1292 1 39 MET ME 1 61 PHE QE 5.000 . 6.000 1.962 1.847 2.637 . 0 0 "[ . 1 . 2]" 1
1293 1 39 MET QG 1 61 PHE QD 4.000 . 4.750 2.813 2.423 3.798 . 0 0 "[ . 1 . 2]" 1
1294 1 39 MET QG 1 61 PHE QE 5.000 . 6.000 2.125 1.879 3.038 . 0 0 "[ . 1 . 2]" 1
1295 1 40 CYS H 1 56 HIS HD2 5.000 . 6.000 5.906 5.855 5.951 . 0 0 "[ . 1 . 2]" 1
1296 1 40 CYS H 1 60 HIS HD2 4.000 . 4.750 4.794 4.781 4.809 0.059 6 0 "[ . 1 . 2]" 1
1297 1 40 CYS HA 1 60 HIS HE1 4.000 . 4.750 4.606 4.536 4.696 . 0 0 "[ . 1 . 2]" 1
1298 1 40 CYS HB3 1 60 HIS HE1 3.000 . 3.500 2.262 2.216 2.328 . 0 0 "[ . 1 . 2]" 1
1299 1 40 CYS HB2 1 60 HIS HE1 3.000 . 3.500 3.474 3.411 3.512 0.012 3 0 "[ . 1 . 2]" 1
1300 1 42 GLU QB 1 53 PHE QD 4.000 . 4.750 4.783 4.763 4.792 0.042 14 0 "[ . 1 . 2]" 1
1301 1 42 GLU QB 1 53 PHE QE 4.000 . 4.750 4.433 4.257 4.628 . 0 0 "[ . 1 . 2]" 1
1302 1 42 GLU H 1 56 HIS HD2 5.000 . 6.000 5.425 5.169 5.553 . 0 0 "[ . 1 . 2]" 1
1303 1 42 GLU HA 1 56 HIS HE1 5.000 . 6.000 5.532 5.328 5.809 . 0 0 "[ . 1 . 2]" 1
1304 1 42 GLU QB 1 56 HIS HD2 5.000 . 6.000 4.080 3.926 4.271 . 0 0 "[ . 1 . 2]" 1
1305 1 42 GLU QB 1 56 HIS HE1 4.000 . 4.750 2.953 2.640 3.104 . 0 0 "[ . 1 . 2]" 1
1306 1 42 GLU QG 1 56 HIS HE1 4.000 . 4.750 2.952 2.215 4.114 . 0 0 "[ . 1 . 2]" 1
1307 1 43 GLN HA 1 53 PHE QE 5.000 . 6.000 5.738 4.869 5.963 . 0 0 "[ . 1 . 2]" 1
1308 1 44 PHE QD 1 52 VAL MG2 5.000 . 6.000 5.815 5.526 5.943 . 0 0 "[ . 1 . 2]" 1
1309 1 44 PHE QE 1 52 VAL MG1 4.000 . 4.750 3.603 3.306 3.827 . 0 0 "[ . 1 . 2]" 1
1310 1 44 PHE QE 1 52 VAL MG2 5.000 . 6.000 5.875 5.689 6.005 0.005 4 0 "[ . 1 . 2]" 1
1311 1 44 PHE H 1 53 PHE QD 5.000 . 6.000 5.563 4.928 5.715 . 0 0 "[ . 1 . 2]" 1
1312 1 44 PHE H 1 53 PHE QE 5.000 . 6.000 5.429 4.940 5.643 . 0 0 "[ . 1 . 2]" 1
1313 1 44 PHE HA 1 53 PHE QD 5.000 . 6.000 5.819 5.701 6.009 0.009 15 0 "[ . 1 . 2]" 1
1314 1 44 PHE HB2 1 53 PHE QE 5.000 . 6.000 4.626 4.485 5.019 . 0 0 "[ . 1 . 2]" 1
1315 1 44 PHE HZ 1 53 PHE HA 5.000 . 6.000 3.931 3.802 4.045 . 0 0 "[ . 1 . 2]" 1
1316 1 44 PHE HZ 1 53 PHE QD 4.000 . 4.750 3.292 3.163 3.522 . 0 0 "[ . 1 . 2]" 1
1317 1 44 PHE HZ 1 53 PHE QE 5.000 . 6.000 4.369 4.198 4.642 . 0 0 "[ . 1 . 2]" 1
1318 1 44 PHE QD 1 53 PHE HA 5.000 . 6.000 3.985 3.845 4.133 . 0 0 "[ . 1 . 2]" 1
1319 1 44 PHE QD 1 53 PHE HB2 5.000 . 6.000 3.569 3.385 3.747 . 0 0 "[ . 1 . 2]" 1
1320 1 44 PHE QD 1 53 PHE HZ 5.000 . 6.000 4.512 4.435 4.886 . 0 0 "[ . 1 . 2]" 1
1321 1 44 PHE QD 1 53 PHE QE 3.000 . 3.500 3.043 2.942 3.339 . 0 0 "[ . 1 . 2]" 1
1322 1 44 PHE QE 1 53 PHE HA 4.000 . 4.750 3.488 3.242 3.724 . 0 0 "[ . 1 . 2]" 1
1323 1 44 PHE QE 1 53 PHE HZ 5.000 . 6.000 4.852 4.772 5.056 . 0 0 "[ . 1 . 2]" 1
1324 1 44 PHE QE 1 53 PHE QE 3.000 . 3.500 2.522 2.452 2.721 . 0 0 "[ . 1 . 2]" 1
1325 1 44 PHE HZ 1 56 HIS H 5.000 . 6.000 5.351 5.179 5.504 . 0 0 "[ . 1 . 2]" 1
1326 1 44 PHE HZ 1 56 HIS HA 5.000 . 6.000 5.186 5.099 5.248 . 0 0 "[ . 1 . 2]" 1
1327 1 44 PHE HZ 1 56 HIS HB3 4.000 . 4.750 3.139 2.973 3.275 . 0 0 "[ . 1 . 2]" 1
1328 1 44 PHE HZ 1 56 HIS HB2 4.000 . 4.750 3.366 3.248 3.455 . 0 0 "[ . 1 . 2]" 1
1329 1 44 PHE HZ 1 56 HIS HD2 4.000 . 4.750 3.049 2.918 3.197 . 0 0 "[ . 1 . 2]" 1
1330 1 44 PHE HZ 1 56 HIS HE1 4.000 . 4.750 3.570 3.438 3.763 . 0 0 "[ . 1 . 2]" 1
1331 1 44 PHE QD 1 56 HIS HB3 5.000 . 6.000 5.162 5.114 5.217 . 0 0 "[ . 1 . 2]" 1
1332 1 44 PHE QD 1 56 HIS HD2 5.000 . 6.000 4.901 4.814 5.013 . 0 0 "[ . 1 . 2]" 1
1333 1 44 PHE QE 1 56 HIS H 5.000 . 6.000 5.361 5.184 5.507 . 0 0 "[ . 1 . 2]" 1
1334 1 44 PHE QE 1 56 HIS HB3 4.000 . 4.750 3.684 3.560 3.787 . 0 0 "[ . 1 . 2]" 1
1335 1 44 PHE QE 1 56 HIS HB2 4.000 . 4.750 3.768 3.694 3.874 . 0 0 "[ . 1 . 2]" 1
1336 1 44 PHE QE 1 56 HIS HD2 3.000 . 3.500 2.958 2.831 3.085 . 0 0 "[ . 1 . 2]" 1
1337 1 44 PHE QE 1 56 HIS HE1 4.000 . 4.750 4.425 4.335 4.513 . 0 0 "[ . 1 . 2]" 1
1338 1 44 PHE HZ 1 57 VAL H 5.000 . 6.000 5.097 4.939 5.244 . 0 0 "[ . 1 . 2]" 1
1339 1 44 PHE HZ 1 57 VAL MG1 5.000 . 6.000 6.023 6.012 6.029 0.029 16 0 "[ . 1 . 2]" 1
1340 1 44 PHE HZ 1 57 VAL MG2 5.000 . 6.000 4.346 4.200 4.581 . 0 0 "[ . 1 . 2]" 1
1341 1 44 PHE QD 1 57 VAL MG1 5.000 . 6.000 5.955 5.775 6.016 0.016 15 0 "[ . 1 . 2]" 1
1342 1 44 PHE QD 1 57 VAL MG2 5.000 . 6.000 4.601 4.526 4.767 . 0 0 "[ . 1 . 2]" 1
1343 1 44 PHE QE 1 57 VAL MG2 4.000 . 4.750 3.737 3.634 3.894 . 0 0 "[ . 1 . 2]" 1
1344 1 48 TYR QD 1 53 PHE H 4.000 . 4.750 3.234 3.040 3.452 . 0 0 "[ . 1 . 2]" 1
1345 1 48 TYR QD 1 53 PHE HA 4.000 . 4.750 4.003 3.798 4.298 . 0 0 "[ . 1 . 2]" 1
1346 1 48 TYR QD 1 53 PHE HB2 4.000 . 4.750 2.802 2.621 3.097 . 0 0 "[ . 1 . 2]" 1
1347 1 48 TYR QD 1 54 GLU H 5.000 . 6.000 5.645 5.472 5.861 . 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 12
_Distance_constraint_stats_list.Viol_count 152
_Distance_constraint_stats_list.Viol_total 95.998
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0203
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0200
_Distance_constraint_stats_list.Viol_average_violations_only 0.0316
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 CYS 1.408 0.081 19 0 "[ . 1 . 2]"
1 13 CYS 2.363 0.081 19 0 "[ . 1 . 2]"
1 29 HIS 0.818 0.053 19 0 "[ . 1 . 2]"
1 33 HIS 0.645 0.044 8 0 "[ . 1 . 2]"
1 37 CYS 1.541 0.060 9 0 "[ . 1 . 2]"
1 40 CYS 1.443 0.060 9 0 "[ . 1 . 2]"
1 56 HIS 0.650 0.048 14 0 "[ . 1 . 2]"
1 60 HIS 0.733 0.054 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 CYS SG 1 13 CYS SG 3.750 3.550 3.950 4.008 3.994 4.031 0.081 19 0 "[ . 1 . 2]" 2
2 1 10 CYS SG 1 29 HIS NE2 3.450 3.250 3.650 3.254 3.229 3.360 0.021 7 0 "[ . 1 . 2]" 2
3 1 10 CYS SG 1 33 HIS NE2 3.450 3.250 3.650 3.638 3.600 3.665 0.015 4 0 "[ . 1 . 2]" 2
4 1 13 CYS SG 1 29 HIS NE2 3.450 3.250 3.650 3.218 3.197 3.237 0.053 19 0 "[ . 1 . 2]" 2
5 1 13 CYS SG 1 33 HIS NE2 3.450 3.250 3.650 3.679 3.664 3.694 0.044 8 0 "[ . 1 . 2]" 2
6 1 29 HIS NE2 1 33 HIS NE2 3.150 2.950 3.350 3.184 3.037 3.286 . 0 0 "[ . 1 . 2]" 2
7 1 37 CYS SG 1 40 CYS SG 3.750 3.550 3.950 3.990 3.975 4.010 0.060 9 0 "[ . 1 . 2]" 2
8 1 37 CYS SG 1 56 HIS NE2 3.450 3.250 3.650 3.280 3.247 3.397 0.003 12 0 "[ . 1 . 2]" 2
9 1 37 CYS SG 1 60 HIS NE2 3.450 3.250 3.650 3.686 3.670 3.704 0.054 10 0 "[ . 1 . 2]" 2
10 1 40 CYS SG 1 56 HIS NE2 3.450 3.250 3.650 3.218 3.202 3.231 0.048 14 0 "[ . 1 . 2]" 2
11 1 40 CYS SG 1 60 HIS NE2 3.450 3.250 3.650 3.470 3.433 3.497 . 0 0 "[ . 1 . 2]" 2
12 1 56 HIS NE2 1 60 HIS NE2 3.150 2.950 3.350 3.293 3.233 3.352 0.002 6 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 219
_Distance_constraint_stats_list.Viol_total 84.968
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0194
_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 8 LYS 0.053 0.010 7 0 "[ . 1 . 2]"
1 17 PHE 0.053 0.010 7 0 "[ . 1 . 2]"
1 23 GLN 0.106 0.016 17 0 "[ . 1 . 2]"
1 24 SER 0.747 0.043 1 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PHE 0.683 0.047 15 0 "[ . 1 . 2]"
1 27 GLU 0.125 0.016 17 0 "[ . 1 . 2]"
1 28 GLU 0.800 0.043 1 0 "[ . 1 . 2]"
1 29 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.683 0.047 15 0 "[ . 1 . 2]"
1 31 GLU 0.019 0.009 13 0 "[ . 1 . 2]"
1 32 SER 0.053 0.011 7 0 "[ . 1 . 2]"
1 35 LYS 1.621 0.067 15 0 "[ . 1 . 2]"
1 37 CYS 0.095 0.055 15 0 "[ . 1 . 2]"
1 42 GLU 0.095 0.055 15 0 "[ . 1 . 2]"
1 44 PHE 1.621 0.067 15 0 "[ . 1 . 2]"
1 51 GLN 0.327 0.026 4 0 "[ . 1 . 2]"
1 52 VAL 0.198 0.030 15 0 "[ . 1 . 2]"
1 53 PHE 0.027 0.013 18 0 "[ . 1 . 2]"
1 54 GLU 0.152 0.028 7 0 "[ . 1 . 2]"
1 55 ARG 0.494 0.026 4 0 "[ . 1 . 2]"
1 56 HIS 0.198 0.030 15 0 "[ . 1 . 2]"
1 57 VAL 0.027 0.013 18 0 "[ . 1 . 2]"
1 58 GLN 0.152 0.028 7 0 "[ . 1 . 2]"
1 59 THR 0.167 0.023 19 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 8 LYS O 1 17 PHE H 1.950 . 2.100 2.095 2.052 2.110 0.010 7 0 "[ . 1 . 2]" 3
2 1 8 LYS O 1 17 PHE N 2.900 2.700 3.100 2.953 2.850 2.996 . 0 0 "[ . 1 . 2]" 3
3 1 23 GLN O 1 27 GLU H 1.950 . 2.100 1.806 1.790 1.898 0.010 10 0 "[ . 1 . 2]" 3
4 1 23 GLN O 1 27 GLU N 2.900 2.700 3.100 2.705 2.684 2.794 0.016 17 0 "[ . 1 . 2]" 3
5 1 24 SER O 1 28 GLU H 1.950 . 2.100 2.137 2.129 2.143 0.043 1 0 "[ . 1 . 2]" 3
6 1 24 SER O 1 28 GLU N 2.900 2.700 3.100 3.057 3.029 3.084 . 0 0 "[ . 1 . 2]" 3
7 1 25 LYS O 1 29 HIS H 1.950 . 2.100 1.974 1.903 2.094 . 0 0 "[ . 1 . 2]" 3
8 1 25 LYS O 1 29 HIS N 2.900 2.700 3.100 2.881 2.817 2.984 . 0 0 "[ . 1 . 2]" 3
9 1 26 PHE O 1 30 VAL H 1.950 . 2.100 1.766 1.753 1.784 0.047 15 0 "[ . 1 . 2]" 3
10 1 26 PHE O 1 30 VAL N 2.900 2.700 3.100 2.731 2.710 2.753 . 0 0 "[ . 1 . 2]" 3
11 1 27 GLU O 1 31 GLU H 1.950 . 2.100 1.926 1.791 2.078 0.009 13 0 "[ . 1 . 2]" 3
12 1 27 GLU O 1 31 GLU N 2.900 2.700 3.100 2.819 2.697 2.932 0.003 17 0 "[ . 1 . 2]" 3
13 1 28 GLU O 1 32 SER H 1.950 . 2.100 2.015 1.969 2.097 . 0 0 "[ . 1 . 2]" 3
14 1 28 GLU O 1 32 SER N 2.900 2.700 3.100 2.721 2.689 2.825 0.011 7 0 "[ . 1 . 2]" 3
15 1 35 LYS H 1 44 PHE O 1.950 . 2.100 2.131 2.110 2.167 0.067 15 0 "[ . 1 . 2]" 3
16 1 35 LYS N 1 44 PHE O 2.900 2.700 3.100 2.965 2.932 2.999 . 0 0 "[ . 1 . 2]" 3
17 1 37 CYS H 1 42 GLU O 1.950 . 2.100 2.053 1.745 2.114 0.055 15 0 "[ . 1 . 2]" 3
18 1 37 CYS N 1 42 GLU O 2.900 2.700 3.100 2.941 2.698 3.002 0.002 15 0 "[ . 1 . 2]" 3
19 1 35 LYS O 1 44 PHE H 1.950 . 2.100 1.856 1.775 1.884 0.025 15 0 "[ . 1 . 2]" 3
20 1 35 LYS O 1 44 PHE N 2.900 2.700 3.100 2.651 2.639 2.707 0.061 10 0 "[ . 1 . 2]" 3
21 1 51 GLN O 1 55 ARG H 1.950 . 2.100 2.116 2.107 2.126 0.026 4 0 "[ . 1 . 2]" 3
22 1 51 GLN O 1 55 ARG N 2.900 2.700 3.100 3.024 2.972 3.055 . 0 0 "[ . 1 . 2]" 3
23 1 52 VAL O 1 56 HIS H 1.950 . 2.100 2.106 2.074 2.130 0.030 15 0 "[ . 1 . 2]" 3
24 1 52 VAL O 1 56 HIS N 2.900 2.700 3.100 2.981 2.949 3.029 . 0 0 "[ . 1 . 2]" 3
25 1 53 PHE O 1 57 VAL H 1.950 . 2.100 1.817 1.787 1.870 0.013 18 0 "[ . 1 . 2]" 3
26 1 53 PHE O 1 57 VAL N 2.900 2.700 3.100 2.783 2.751 2.839 . 0 0 "[ . 1 . 2]" 3
27 1 54 GLU O 1 58 GLN H 1.950 . 2.100 1.839 1.772 1.938 0.028 7 0 "[ . 1 . 2]" 3
28 1 54 GLU O 1 58 GLN N 2.900 2.700 3.100 2.718 2.694 2.772 0.006 7 0 "[ . 1 . 2]" 3
29 1 55 ARG O 1 59 THR H 1.950 . 2.100 2.076 1.959 2.123 0.023 19 0 "[ . 1 . 2]" 3
30 1 55 ARG O 1 59 THR N 2.900 2.700 3.100 2.840 2.695 2.943 0.005 5 0 "[ . 1 . 2]" 3
stop_
save_
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