NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369742 |
1bfy   |
4182 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bfy
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 6
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 8.659
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0228
_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 6 CYS 0.207 0.049 18 0 "[ . 1 . 2]"
1 9 CYS 0.238 0.067 17 0 "[ . 1 . 2]"
1 39 CYS 0.225 0.067 17 0 "[ . 1 . 2]"
1 42 CYS 0.195 0.049 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 CYS SG 1 9 CYS SG . . 4.000 3.593 3.273 4.023 0.023 10 0 "[ . 1 . 2]" 1
2 1 6 CYS SG 1 39 CYS SG . . 4.000 3.451 3.289 3.837 . 0 0 "[ . 1 . 2]" 1
3 1 6 CYS SG 1 42 CYS SG . . 4.000 3.967 3.853 4.049 0.049 18 0 "[ . 1 . 2]" 1
4 1 9 CYS SG 1 39 CYS SG . . 4.000 3.888 3.708 4.067 0.067 17 0 "[ . 1 . 2]" 1
5 1 9 CYS SG 1 42 CYS SG . . 4.000 3.618 3.469 3.839 . 0 0 "[ . 1 . 2]" 1
6 1 39 CYS SG 1 42 CYS SG . . 4.000 3.806 3.412 4.008 0.008 7 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 1075
_Distance_constraint_stats_list.Viol_count 2417
_Distance_constraint_stats_list.Viol_total 2617.268
_Distance_constraint_stats_list.Viol_max 0.666
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0541
_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 1 MET 4.524 0.200 12 0 "[ . 1 . 2]"
1 2 LYS 3.110 0.200 12 0 "[ . 1 . 2]"
1 3 LYS 5.588 0.175 17 0 "[ . 1 . 2]"
1 4 TYR 5.131 0.118 16 0 "[ . 1 . 2]"
1 5 THR 2.070 0.112 20 0 "[ . 1 . 2]"
1 11 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 4.670 0.094 6 0 "[ . 1 . 2]"
1 14 ASN 3.808 0.113 16 0 "[ . 1 . 2]"
1 15 PRO 18.497 0.340 6 0 "[ . 1 . 2]"
1 16 GLU 4.073 0.146 6 0 "[ . 1 . 2]"
1 17 ASP 7.740 0.146 6 0 "[ . 1 . 2]"
1 18 GLY 3.799 0.076 10 0 "[ . 1 . 2]"
1 19 ASP 0.890 0.036 10 0 "[ . 1 . 2]"
1 20 PRO 5.372 0.237 6 0 "[ . 1 . 2]"
1 21 ASP 1.592 0.071 10 0 "[ . 1 . 2]"
1 22 ASN 4.759 0.666 2 1 "[ + . 1 . 2]"
1 23 GLY 2.106 0.058 20 0 "[ . 1 . 2]"
1 24 VAL 2.012 0.066 19 0 "[ . 1 . 2]"
1 25 ASN 3.528 0.066 19 0 "[ . 1 . 2]"
1 26 PRO 3.699 0.082 16 0 "[ . 1 . 2]"
1 27 GLY 2.616 0.072 9 0 "[ . 1 . 2]"
1 28 THR 6.710 0.097 2 0 "[ . 1 . 2]"
1 29 ASP 6.139 0.170 20 0 "[ . 1 . 2]"
1 30 PHE 8.089 0.224 14 0 "[ . 1 . 2]"
1 31 LYS 6.888 0.170 20 0 "[ . 1 . 2]"
1 32 ASP 0.009 0.004 1 0 "[ . 1 . 2]"
1 33 ILE 11.058 0.165 19 0 "[ . 1 . 2]"
1 34 PRO 27.501 0.445 18 0 "[ . 1 . 2]"
1 35 ASP 3.716 0.171 4 0 "[ . 1 . 2]"
1 36 ASP 4.662 0.141 12 0 "[ . 1 . 2]"
1 37 TRP 4.092 0.116 10 0 "[ . 1 . 2]"
1 38 VAL 0.921 0.087 20 0 "[ . 1 . 2]"
1 40 PRO 2.615 0.666 2 1 "[ + . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.078 0.062 8 0 "[ . 1 . 2]"
1 46 LYS 2.805 0.161 19 0 "[ . 1 . 2]"
1 47 ASP 0.340 0.120 19 0 "[ . 1 . 2]"
1 48 GLN 0.340 0.120 19 0 "[ . 1 . 2]"
1 49 PHE 2.643 0.224 14 0 "[ . 1 . 2]"
1 50 GLU 2.687 0.112 20 0 "[ . 1 . 2]"
1 51 GLU 4.319 0.161 18 0 "[ . 1 . 2]"
1 52 VAL 3.324 0.118 16 0 "[ . 1 . 2]"
1 53 GLU 5.369 0.116 16 0 "[ . 1 . 2]"
1 54 GLU 3.582 0.116 16 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 1 MET HA 1 1 MET HB3 . . 3.000 2.983 2.584 3.035 0.035 8 0 "[ . 1 . 2]" 2
2 1 1 MET HA 1 1 MET HG2 . . 2.900 2.688 2.256 3.024 0.124 19 0 "[ . 1 . 2]" 2
3 1 1 MET HA 1 1 MET HG3 . . 3.700 2.690 2.166 3.547 . 0 0 "[ . 1 . 2]" 2
4 1 1 MET HA 1 2 LYS H . . 3.500 2.614 2.451 2.919 . 0 0 "[ . 1 . 2]" 2
5 1 1 MET HA 1 2 LYS HG2 . . 5.400 4.429 3.588 4.724 . 0 0 "[ . 1 . 2]" 2
6 1 1 MET HA 1 2 LYS HG3 . . 4.800 3.857 3.327 4.871 0.071 15 0 "[ . 1 . 2]" 2
7 1 1 MET HB2 1 1 MET HG3 . . 2.800 2.413 2.249 2.666 . 0 0 "[ . 1 . 2]" 2
8 1 1 MET HB2 1 2 LYS H . . 4.200 2.573 1.926 4.098 . 0 0 "[ . 1 . 2]" 2
9 1 1 MET HB2 1 2 LYS HA . . 6.000 4.474 3.819 6.037 0.037 2 0 "[ . 1 . 2]" 2
10 1 1 MET HB2 1 15 PRO HB2 . . 3.200 3.094 2.270 3.263 0.063 20 0 "[ . 1 . 2]" 2
11 1 1 MET HB2 1 15 PRO HB3 . . 4.000 3.777 3.296 4.090 0.090 15 0 "[ . 1 . 2]" 2
12 1 1 MET HB2 1 16 GLU H . . 6.000 5.086 3.858 5.825 . 0 0 "[ . 1 . 2]" 2
13 1 1 MET HB2 1 16 GLU HG2 . . 6.000 4.719 2.803 5.305 . 0 0 "[ . 1 . 2]" 2
14 1 1 MET HB2 1 16 GLU HG3 . . 6.000 4.773 3.493 5.501 . 0 0 "[ . 1 . 2]" 2
15 1 1 MET HB2 1 29 ASP HA . . 4.800 4.003 3.611 4.541 . 0 0 "[ . 1 . 2]" 2
16 1 1 MET HB2 1 30 PHE H . . 6.000 5.155 4.621 6.005 0.005 3 0 "[ . 1 . 2]" 2
17 1 1 MET HB3 1 1 MET HG2 . . 2.800 2.543 2.175 2.915 0.115 20 0 "[ . 1 . 2]" 2
18 1 1 MET HB3 1 2 LYS H . . 3.300 3.185 2.394 3.386 0.086 4 0 "[ . 1 . 2]" 2
19 1 1 MET HB3 1 15 PRO HB2 . . 3.500 2.941 2.433 3.411 . 0 0 "[ . 1 . 2]" 2
20 1 1 MET HB3 1 15 PRO HB3 . . 3.600 2.934 2.569 3.610 0.010 6 0 "[ . 1 . 2]" 2
21 1 1 MET HB3 1 15 PRO HD3 . . 5.000 4.638 4.408 4.822 . 0 0 "[ . 1 . 2]" 2
22 1 1 MET HB3 1 29 ASP HA . . 4.100 2.699 2.164 3.558 . 0 0 "[ . 1 . 2]" 2
23 1 1 MET HB3 1 30 PHE H . . 4.700 3.670 2.924 4.769 0.069 3 0 "[ . 1 . 2]" 2
24 1 1 MET HG2 1 2 LYS H . . 4.300 3.997 2.456 4.500 0.200 12 0 "[ . 1 . 2]" 2
25 1 1 MET HG3 1 2 LYS H . . 4.900 3.772 3.334 4.900 . 0 0 "[ . 1 . 2]" 2
26 1 1 MET HG3 1 15 PRO HB2 . . 5.400 4.583 3.989 5.002 . 0 0 "[ . 1 . 2]" 2
27 1 1 MET HG3 1 15 PRO HG2 . . 5.600 4.828 4.346 5.294 . 0 0 "[ . 1 . 2]" 2
28 1 1 MET HG3 1 15 PRO HG3 . . 5.000 4.807 4.247 5.090 0.090 19 0 "[ . 1 . 2]" 2
29 1 2 LYS H 1 2 LYS QB . . 3.800 3.111 2.336 3.442 . 0 0 "[ . 1 . 2]" 2
30 1 2 LYS H 1 2 LYS HG2 . . 3.300 3.066 2.752 3.331 0.031 9 0 "[ . 1 . 2]" 2
31 1 2 LYS H 1 2 LYS HG3 . . 3.300 3.051 2.713 3.320 0.020 6 0 "[ . 1 . 2]" 2
32 1 2 LYS H 1 2 LYS QD . . 5.100 4.552 4.205 4.674 . 0 0 "[ . 1 . 2]" 2
33 1 2 LYS H 1 2 LYS QE . . 6.300 5.089 4.766 5.320 . 0 0 "[ . 1 . 2]" 2
34 1 2 LYS H 1 3 LYS H . . 4.600 4.522 4.421 4.585 . 0 0 "[ . 1 . 2]" 2
35 1 2 LYS H 1 4 TYR QD . . 8.000 5.712 4.977 6.082 . 0 0 "[ . 1 . 2]" 2
36 1 2 LYS H 1 4 TYR QE . . 7.000 4.706 3.567 5.242 . 0 0 "[ . 1 . 2]" 2
37 1 2 LYS H 1 15 PRO HG3 . . 4.600 3.385 3.017 4.161 . 0 0 "[ . 1 . 2]" 2
38 1 2 LYS HA 1 2 LYS HG2 . . 3.000 2.543 2.334 2.725 . 0 0 "[ . 1 . 2]" 2
39 1 2 LYS HA 1 2 LYS HG3 . . 3.600 3.433 3.237 3.628 0.028 6 0 "[ . 1 . 2]" 2
40 1 2 LYS HA 1 2 LYS QD . . 4.500 3.584 2.589 3.932 . 0 0 "[ . 1 . 2]" 2
41 1 2 LYS HA 1 2 LYS QE . . 6.000 4.999 4.189 5.237 . 0 0 "[ . 1 . 2]" 2
42 1 2 LYS HA 1 3 LYS H . . 2.500 2.397 2.145 2.529 0.029 8 0 "[ . 1 . 2]" 2
43 1 2 LYS QB 1 3 LYS H . . 4.500 2.337 2.058 2.820 . 0 0 "[ . 1 . 2]" 2
44 1 2 LYS QB 1 4 TYR QD . . 7.700 4.290 3.809 4.801 . 0 0 "[ . 1 . 2]" 2
45 1 2 LYS QB 1 4 TYR QE . . 6.500 3.360 2.489 4.241 . 0 0 "[ . 1 . 2]" 2
46 1 2 LYS QB 1 51 GLU HA . . 5.700 4.372 4.086 4.591 . 0 0 "[ . 1 . 2]" 2
47 1 2 LYS QB 1 52 VAL H . . 4.800 3.654 3.323 3.853 . 0 0 "[ . 1 . 2]" 2
48 1 2 LYS HG2 1 3 LYS H . . 4.300 4.279 4.177 4.386 0.086 6 0 "[ . 1 . 2]" 2
49 1 2 LYS HG2 1 4 TYR QE . . 7.500 6.001 5.360 6.513 . 0 0 "[ . 1 . 2]" 2
50 1 2 LYS HG2 1 53 GLU HA . . 6.000 5.093 4.486 5.794 . 0 0 "[ . 1 . 2]" 2
51 1 2 LYS HG3 1 4 TYR QD . . 8.000 6.478 5.994 7.037 . 0 0 "[ . 1 . 2]" 2
52 1 2 LYS HG3 1 4 TYR QE . . 7.300 5.010 4.462 5.530 . 0 0 "[ . 1 . 2]" 2
53 1 2 LYS QD 1 3 LYS H . . 4.600 3.986 3.395 4.194 . 0 0 "[ . 1 . 2]" 2
54 1 2 LYS QD 1 4 TYR QE . . 8.500 5.138 4.118 6.218 . 0 0 "[ . 1 . 2]" 2
55 1 2 LYS QD 1 53 GLU HA . . 7.000 2.793 2.064 3.354 . 0 0 "[ . 1 . 2]" 2
56 1 2 LYS QE 1 4 TYR QD . . 9.000 7.153 6.823 7.234 . 0 0 "[ . 1 . 2]" 2
57 1 2 LYS QE 1 4 TYR QE . . 8.700 5.850 5.407 6.258 . 0 0 "[ . 1 . 2]" 2
58 1 2 LYS QE 1 53 GLU HA . . 7.000 3.957 2.496 5.007 . 0 0 "[ . 1 . 2]" 2
59 1 3 LYS H 1 3 LYS HB2 . . 2.900 2.372 2.271 2.426 . 0 0 "[ . 1 . 2]" 2
60 1 3 LYS H 1 3 LYS HB3 . . 3.500 3.550 3.508 3.577 0.077 12 0 "[ . 1 . 2]" 2
61 1 3 LYS H 1 3 LYS HG2 . . 3.500 3.447 3.333 3.532 0.032 14 0 "[ . 1 . 2]" 2
62 1 3 LYS H 1 3 LYS HG3 . . 2.700 2.223 2.108 2.320 . 0 0 "[ . 1 . 2]" 2
63 1 3 LYS H 1 3 LYS QD . . 4.600 3.671 3.363 3.915 . 0 0 "[ . 1 . 2]" 2
64 1 3 LYS H 1 3 LYS QE . . 6.200 4.356 3.846 4.881 . 0 0 "[ . 1 . 2]" 2
65 1 3 LYS H 1 4 TYR HA . . 6.000 5.302 5.206 5.425 . 0 0 "[ . 1 . 2]" 2
66 1 3 LYS H 1 4 TYR QD . . 7.700 4.746 4.520 4.985 . 0 0 "[ . 1 . 2]" 2
67 1 3 LYS H 1 4 TYR QE . . 7.700 5.257 4.962 5.565 . 0 0 "[ . 1 . 2]" 2
68 1 3 LYS H 1 15 PRO HD2 . . 4.800 4.190 3.909 4.343 . 0 0 "[ . 1 . 2]" 2
69 1 3 LYS H 1 15 PRO HD3 . . 4.400 4.358 4.186 4.467 0.067 2 0 "[ . 1 . 2]" 2
70 1 3 LYS H 1 52 VAL H . . 4.000 3.868 3.749 4.028 0.028 18 0 "[ . 1 . 2]" 2
71 1 3 LYS H 1 52 VAL HB . . 3.700 3.626 3.391 3.713 0.013 7 0 "[ . 1 . 2]" 2
72 1 3 LYS HA 1 3 LYS HB3 . . 3.100 2.454 2.430 2.505 . 0 0 "[ . 1 . 2]" 2
73 1 3 LYS HA 1 3 LYS HG2 . . 2.700 2.431 2.350 2.497 . 0 0 "[ . 1 . 2]" 2
74 1 3 LYS HA 1 3 LYS HG3 . . 3.100 2.990 2.878 3.069 . 0 0 "[ . 1 . 2]" 2
75 1 3 LYS HA 1 3 LYS QD . . 4.700 4.041 3.909 4.185 . 0 0 "[ . 1 . 2]" 2
76 1 3 LYS HA 1 3 LYS QE . . 5.800 4.397 3.934 4.676 . 0 0 "[ . 1 . 2]" 2
77 1 3 LYS HA 1 4 TYR H . . 3.000 2.406 2.307 2.521 . 0 0 "[ . 1 . 2]" 2
78 1 3 LYS HA 1 4 TYR HB2 . . 5.600 4.304 4.067 4.797 . 0 0 "[ . 1 . 2]" 2
79 1 3 LYS HA 1 4 TYR QD . . 6.100 3.223 2.994 3.422 . 0 0 "[ . 1 . 2]" 2
80 1 3 LYS HA 1 4 TYR QE . . 7.400 4.882 4.526 5.221 . 0 0 "[ . 1 . 2]" 2
81 1 3 LYS HA 1 12 ILE MG . . 6.000 3.926 3.725 4.122 . 0 0 "[ . 1 . 2]" 2
82 1 3 LYS HA 1 15 PRO HG2 . . 5.000 4.423 4.245 4.563 . 0 0 "[ . 1 . 2]" 2
83 1 3 LYS HA 1 15 PRO HG3 . . 4.300 3.729 3.526 3.844 . 0 0 "[ . 1 . 2]" 2
84 1 3 LYS HA 1 15 PRO HD2 . . 3.400 2.871 2.760 2.980 . 0 0 "[ . 1 . 2]" 2
85 1 3 LYS HA 1 15 PRO HD3 . . 3.100 2.095 2.028 2.147 . 0 0 "[ . 1 . 2]" 2
86 1 3 LYS HA 1 52 VAL HB . . 5.000 4.027 3.957 4.089 . 0 0 "[ . 1 . 2]" 2
87 1 3 LYS HA 1 52 VAL MG2 . . 6.700 4.921 4.779 5.040 . 0 0 "[ . 1 . 2]" 2
88 1 3 LYS HB2 1 3 LYS HG2 . . 3.100 3.049 3.033 3.061 . 0 0 "[ . 1 . 2]" 2
89 1 3 LYS HB2 1 3 LYS HG3 . . 2.600 2.509 2.468 2.604 0.004 2 0 "[ . 1 . 2]" 2
90 1 3 LYS HB2 1 3 LYS QD . . 3.600 2.369 2.206 2.530 . 0 0 "[ . 1 . 2]" 2
91 1 3 LYS HB2 1 3 LYS QE . . 4.500 3.599 3.025 4.024 . 0 0 "[ . 1 . 2]" 2
92 1 3 LYS HB2 1 4 TYR H . . 3.800 3.553 3.466 3.665 . 0 0 "[ . 1 . 2]" 2
93 1 3 LYS HB2 1 12 ILE MG . . 4.500 3.377 3.097 3.644 . 0 0 "[ . 1 . 2]" 2
94 1 3 LYS HB2 1 14 ASN HA . . 5.200 4.653 4.581 4.742 . 0 0 "[ . 1 . 2]" 2
95 1 3 LYS HB2 1 15 PRO HD2 . . 5.700 4.930 4.772 5.116 . 0 0 "[ . 1 . 2]" 2
96 1 3 LYS HB2 1 52 VAL H . . 3.700 3.718 3.620 3.778 0.078 2 0 "[ . 1 . 2]" 2
97 1 3 LYS HB2 1 52 VAL HB . . 2.800 2.116 2.080 2.162 . 0 0 "[ . 1 . 2]" 2
98 1 3 LYS HB2 1 52 VAL MG1 . . 4.000 2.239 2.176 2.405 . 0 0 "[ . 1 . 2]" 2
99 1 3 LYS HB2 1 52 VAL MG2 . . 4.200 3.541 3.408 3.568 . 0 0 "[ . 1 . 2]" 2
100 1 3 LYS HB3 1 3 LYS HG2 . . 2.600 2.477 2.418 2.498 . 0 0 "[ . 1 . 2]" 2
101 1 3 LYS HB3 1 3 LYS HG3 . . 3.100 3.051 3.038 3.068 . 0 0 "[ . 1 . 2]" 2
102 1 3 LYS HB3 1 3 LYS QD . . 3.900 2.678 2.456 3.044 . 0 0 "[ . 1 . 2]" 2
103 1 3 LYS HB3 1 4 TYR H . . 3.400 2.414 2.304 2.508 . 0 0 "[ . 1 . 2]" 2
104 1 3 LYS HB3 1 12 ILE MG . . 3.500 2.264 2.088 2.453 . 0 0 "[ . 1 . 2]" 2
105 1 3 LYS HB3 1 12 ILE MD . . 6.200 4.381 4.069 4.731 . 0 0 "[ . 1 . 2]" 2
106 1 3 LYS HB3 1 14 ASN HA . . 3.600 3.423 3.300 3.601 0.001 18 0 "[ . 1 . 2]" 2
107 1 3 LYS HB3 1 15 PRO HD2 . . 4.800 4.466 4.302 4.704 . 0 0 "[ . 1 . 2]" 2
108 1 3 LYS HB3 1 15 PRO HD3 . . 4.800 4.238 4.130 4.368 . 0 0 "[ . 1 . 2]" 2
109 1 3 LYS HB3 1 52 VAL H . . 4.700 4.576 4.432 4.666 . 0 0 "[ . 1 . 2]" 2
110 1 3 LYS HB3 1 52 VAL HB . . 3.500 2.841 2.622 2.994 . 0 0 "[ . 1 . 2]" 2
111 1 3 LYS HB3 1 52 VAL MG1 . . 6.300 3.101 2.909 3.345 . 0 0 "[ . 1 . 2]" 2
112 1 3 LYS HB3 1 52 VAL MG2 . . 4.400 3.521 3.259 3.643 . 0 0 "[ . 1 . 2]" 2
113 1 3 LYS HG2 1 4 TYR H . . 4.500 4.056 3.919 4.133 . 0 0 "[ . 1 . 2]" 2
114 1 3 LYS HG2 1 12 ILE MG . . 5.000 3.781 3.606 3.968 . 0 0 "[ . 1 . 2]" 2
115 1 3 LYS HG2 1 14 ASN HA . . 2.500 2.101 1.997 2.147 . 0 0 "[ . 1 . 2]" 2
116 1 3 LYS HG2 1 14 ASN HB2 . . 4.100 3.245 3.049 3.390 . 0 0 "[ . 1 . 2]" 2
117 1 3 LYS HG2 1 14 ASN HD21 . . 5.700 4.732 4.487 4.946 . 0 0 "[ . 1 . 2]" 2
118 1 3 LYS HG2 1 14 ASN HD22 . . 5.800 4.326 4.076 4.831 . 0 0 "[ . 1 . 2]" 2
119 1 3 LYS HG2 1 15 PRO HG3 . . 5.300 4.770 4.556 5.063 . 0 0 "[ . 1 . 2]" 2
120 1 3 LYS HG2 1 15 PRO HD2 . . 2.800 2.417 2.209 2.721 . 0 0 "[ . 1 . 2]" 2
121 1 3 LYS HG2 1 15 PRO HD3 . . 3.000 3.102 3.046 3.175 0.175 17 0 "[ . 1 . 2]" 2
122 1 3 LYS HG2 1 52 VAL HB . . 4.900 4.908 4.786 4.961 0.061 2 0 "[ . 1 . 2]" 2
123 1 3 LYS HG3 1 4 TYR H . . 4.800 4.817 4.722 4.861 0.061 13 0 "[ . 1 . 2]" 2
124 1 3 LYS HG3 1 14 ASN HA . . 3.800 3.750 3.517 3.821 0.021 4 0 "[ . 1 . 2]" 2
125 1 3 LYS HG3 1 15 PRO HD2 . . 3.300 3.144 2.819 3.325 0.025 17 0 "[ . 1 . 2]" 2
126 1 3 LYS HG3 1 15 PRO HD3 . . 4.000 3.998 3.779 4.066 0.066 3 0 "[ . 1 . 2]" 2
127 1 3 LYS QD 1 4 TYR H . . 5.800 4.774 4.410 5.172 . 0 0 "[ . 1 . 2]" 2
128 1 3 LYS QD 1 12 ILE MG . . 5.300 3.085 2.549 3.802 . 0 0 "[ . 1 . 2]" 2
129 1 3 LYS QD 1 12 ILE QG . . 7.700 5.517 4.978 6.142 . 0 0 "[ . 1 . 2]" 2
130 1 3 LYS QD 1 14 ASN HA . . 5.300 3.849 3.488 4.232 . 0 0 "[ . 1 . 2]" 2
131 1 3 LYS QD 1 14 ASN HB2 . . 5.200 3.482 2.759 4.299 . 0 0 "[ . 1 . 2]" 2
132 1 3 LYS QD 1 14 ASN HD21 . . 6.200 4.363 3.751 4.722 . 0 0 "[ . 1 . 2]" 2
133 1 3 LYS QD 1 14 ASN HD22 . . 6.200 3.947 3.020 4.977 . 0 0 "[ . 1 . 2]" 2
134 1 3 LYS QD 1 15 PRO HD2 . . 5.600 4.346 3.992 4.737 . 0 0 "[ . 1 . 2]" 2
135 1 3 LYS QD 1 15 PRO HD3 . . 6.400 5.068 4.955 5.192 . 0 0 "[ . 1 . 2]" 2
136 1 3 LYS QD 1 52 VAL HB . . 4.900 4.063 3.883 4.313 . 0 0 "[ . 1 . 2]" 2
137 1 3 LYS QE 1 12 ILE MG . . 6.700 3.499 2.019 4.710 . 0 0 "[ . 1 . 2]" 2
138 1 3 LYS QE 1 14 ASN HB2 . . 5.000 3.121 2.136 3.957 . 0 0 "[ . 1 . 2]" 2
139 1 3 LYS QE 1 14 ASN HD21 . . 5.100 3.460 3.047 3.874 . 0 0 "[ . 1 . 2]" 2
140 1 4 TYR H 1 4 TYR HB2 . . 3.100 2.834 2.679 3.111 0.011 16 0 "[ . 1 . 2]" 2
141 1 4 TYR H 1 4 TYR QE . . 6.200 5.489 5.260 5.589 . 0 0 "[ . 1 . 2]" 2
142 1 4 TYR H 1 12 ILE MG . . 5.700 2.630 2.319 2.972 . 0 0 "[ . 1 . 2]" 2
143 1 4 TYR H 1 13 TYR H . . 3.200 3.163 3.035 3.213 0.013 13 0 "[ . 1 . 2]" 2
144 1 4 TYR H 1 13 TYR QB . . 4.600 3.137 2.986 3.398 . 0 0 "[ . 1 . 2]" 2
145 1 4 TYR H 1 13 TYR QD . . 7.000 3.550 3.289 4.381 . 0 0 "[ . 1 . 2]" 2
146 1 4 TYR H 1 14 ASN HA . . 3.900 3.905 3.809 3.942 0.042 3 0 "[ . 1 . 2]" 2
147 1 4 TYR H 1 15 PRO HD2 . . 6.000 5.053 4.969 5.165 . 0 0 "[ . 1 . 2]" 2
148 1 4 TYR H 1 15 PRO HD3 . . 3.900 3.941 3.878 3.979 0.079 7 0 "[ . 1 . 2]" 2
149 1 4 TYR H 1 30 PHE QD . . 8.000 4.539 4.220 5.710 . 0 0 "[ . 1 . 2]" 2
150 1 4 TYR H 1 52 VAL H . . 6.000 4.237 4.154 4.323 . 0 0 "[ . 1 . 2]" 2
151 1 4 TYR H 1 52 VAL HB . . 3.300 3.384 3.336 3.418 0.118 16 0 "[ . 1 . 2]" 2
152 1 4 TYR H 1 52 VAL MG1 . . 5.900 4.436 4.343 4.533 . 0 0 "[ . 1 . 2]" 2
153 1 4 TYR H 1 52 VAL MG2 . . 4.600 3.581 3.449 3.703 . 0 0 "[ . 1 . 2]" 2
154 1 4 TYR HA 1 4 TYR HB2 . . 3.100 3.036 3.005 3.073 . 0 0 "[ . 1 . 2]" 2
155 1 4 TYR HA 1 4 TYR HB3 . . 2.900 2.585 2.428 2.691 . 0 0 "[ . 1 . 2]" 2
156 1 4 TYR HA 1 4 TYR QE . . 6.000 4.547 4.399 4.709 . 0 0 "[ . 1 . 2]" 2
157 1 4 TYR HA 1 5 THR H . . 2.600 2.263 2.196 2.332 . 0 0 "[ . 1 . 2]" 2
158 1 4 TYR HA 1 50 GLU H . . 6.000 4.705 4.271 5.049 . 0 0 "[ . 1 . 2]" 2
159 1 4 TYR HA 1 51 GLU H . . 6.000 4.706 4.597 4.755 . 0 0 "[ . 1 . 2]" 2
160 1 4 TYR HA 1 51 GLU HA . . 2.400 2.433 2.405 2.465 0.065 8 0 "[ . 1 . 2]" 2
161 1 4 TYR HA 1 51 GLU QB . . 6.500 4.501 4.465 4.538 . 0 0 "[ . 1 . 2]" 2
162 1 4 TYR HA 1 51 GLU HG2 . . 6.000 5.233 5.060 5.387 . 0 0 "[ . 1 . 2]" 2
163 1 4 TYR HA 1 51 GLU HG3 . . 6.000 4.382 4.213 4.593 . 0 0 "[ . 1 . 2]" 2
164 1 4 TYR HA 1 52 VAL H . . 2.600 2.566 2.384 2.635 0.035 12 0 "[ . 1 . 2]" 2
165 1 4 TYR HA 1 52 VAL HA . . 6.000 4.591 4.269 4.732 . 0 0 "[ . 1 . 2]" 2
166 1 4 TYR HA 1 52 VAL HB . . 4.900 3.136 2.960 3.246 . 0 0 "[ . 1 . 2]" 2
167 1 4 TYR HA 1 52 VAL MG1 . . 6.800 4.609 4.519 4.697 . 0 0 "[ . 1 . 2]" 2
168 1 4 TYR HA 1 52 VAL MG2 . . 3.700 2.587 2.457 2.729 . 0 0 "[ . 1 . 2]" 2
169 1 4 TYR HB2 1 13 TYR QB . . 3.800 2.432 2.194 2.816 . 0 0 "[ . 1 . 2]" 2
170 1 4 TYR HB2 1 13 TYR QD . . 6.400 3.103 2.821 3.577 . 0 0 "[ . 1 . 2]" 2
171 1 4 TYR HB2 1 13 TYR QE . . 8.000 5.182 4.917 5.592 . 0 0 "[ . 1 . 2]" 2
172 1 4 TYR HB2 1 30 PHE QD . . 6.000 2.523 2.191 3.790 . 0 0 "[ . 1 . 2]" 2
173 1 4 TYR HB2 1 30 PHE QE . . 7.400 2.829 2.325 3.491 . 0 0 "[ . 1 . 2]" 2
174 1 4 TYR HB2 1 49 PHE HB2 . . 3.900 3.950 3.868 4.011 0.111 16 0 "[ . 1 . 2]" 2
175 1 4 TYR HB2 1 49 PHE QD . . 8.000 4.383 2.687 5.220 . 0 0 "[ . 1 . 2]" 2
176 1 4 TYR HB3 1 5 THR H . . 3.700 2.989 2.798 3.213 . 0 0 "[ . 1 . 2]" 2
177 1 4 TYR HB3 1 13 TYR QB . . 4.600 3.676 3.410 4.041 . 0 0 "[ . 1 . 2]" 2
178 1 4 TYR HB3 1 13 TYR QD . . 6.400 4.741 4.505 5.169 . 0 0 "[ . 1 . 2]" 2
179 1 4 TYR HB3 1 30 PHE QD . . 5.500 3.717 3.209 4.552 . 0 0 "[ . 1 . 2]" 2
180 1 4 TYR HB3 1 49 PHE QD . . 6.900 3.666 2.778 4.357 . 0 0 "[ . 1 . 2]" 2
181 1 4 TYR QD 1 5 THR H . . 8.000 3.863 3.522 4.380 . 0 0 "[ . 1 . 2]" 2
182 1 4 TYR QD 1 13 TYR QB . . 8.100 4.079 3.523 4.503 . 0 0 "[ . 1 . 2]" 2
183 1 4 TYR QD 1 13 TYR QD . . 7.200 3.146 2.418 3.724 . 0 0 "[ . 1 . 2]" 2
184 1 4 TYR QD 1 13 TYR QE . . 8.200 4.418 3.864 5.023 . 0 0 "[ . 1 . 2]" 2
185 1 4 TYR QD 1 15 PRO HD3 . . 8.000 3.677 3.247 4.058 . 0 0 "[ . 1 . 2]" 2
186 1 4 TYR QD 1 30 PHE H . . 6.900 4.288 3.798 4.784 . 0 0 "[ . 1 . 2]" 2
187 1 4 TYR QD 1 30 PHE HB2 . . 4.800 2.811 2.507 3.445 . 0 0 "[ . 1 . 2]" 2
188 1 4 TYR QD 1 30 PHE HB3 . . 5.600 3.778 3.520 4.339 . 0 0 "[ . 1 . 2]" 2
189 1 4 TYR QD 1 30 PHE QD . . 8.500 2.897 2.458 3.451 . 0 0 "[ . 1 . 2]" 2
190 1 4 TYR QD 1 30 PHE QE . . 7.400 4.028 2.809 4.412 . 0 0 "[ . 1 . 2]" 2
191 1 4 TYR QD 1 30 PHE HZ . . 5.800 5.061 4.175 5.330 . 0 0 "[ . 1 . 2]" 2
192 1 4 TYR QD 1 49 PHE HB2 . . 5.400 2.651 2.132 3.923 . 0 0 "[ . 1 . 2]" 2
193 1 4 TYR QD 1 50 GLU H . . 7.300 3.693 3.153 4.292 . 0 0 "[ . 1 . 2]" 2
194 1 4 TYR QD 1 50 GLU HA . . 5.900 3.786 3.177 4.139 . 0 0 "[ . 1 . 2]" 2
195 1 4 TYR QD 1 51 GLU H . . 6.300 4.040 3.426 4.372 . 0 0 "[ . 1 . 2]" 2
196 1 4 TYR QD 1 51 GLU HA . . 5.400 3.092 2.870 3.306 . 0 0 "[ . 1 . 2]" 2
197 1 4 TYR QD 1 51 GLU QB . . 7.700 3.875 3.528 4.114 . 0 0 "[ . 1 . 2]" 2
198 1 4 TYR QD 1 51 GLU HG2 . . 7.800 5.624 5.513 5.804 . 0 0 "[ . 1 . 2]" 2
199 1 4 TYR QD 1 51 GLU HG3 . . 6.700 4.387 4.116 4.613 . 0 0 "[ . 1 . 2]" 2
200 1 4 TYR QD 1 52 VAL H . . 6.100 4.247 4.105 4.383 . 0 0 "[ . 1 . 2]" 2
201 1 4 TYR QE 1 13 TYR QE . . 10.000 5.542 4.306 6.513 . 0 0 "[ . 1 . 2]" 2
202 1 4 TYR QE 1 30 PHE H . . 6.200 3.938 2.792 5.100 . 0 0 "[ . 1 . 2]" 2
203 1 4 TYR QE 1 30 PHE HA . . 7.600 5.579 4.874 6.462 . 0 0 "[ . 1 . 2]" 2
204 1 4 TYR QE 1 30 PHE HB2 . . 5.800 3.238 2.655 4.169 . 0 0 "[ . 1 . 2]" 2
205 1 4 TYR QE 1 30 PHE HB3 . . 5.100 3.453 3.162 4.191 . 0 0 "[ . 1 . 2]" 2
206 1 4 TYR QE 1 30 PHE QD . . 8.300 4.080 3.388 4.652 . 0 0 "[ . 1 . 2]" 2
207 1 4 TYR QE 1 30 PHE QE . . 7.500 5.335 3.767 5.828 . 0 0 "[ . 1 . 2]" 2
208 1 4 TYR QE 1 31 LYS H . . 6.700 5.133 4.604 5.981 . 0 0 "[ . 1 . 2]" 2
209 1 4 TYR QE 1 50 GLU HA . . 5.900 4.180 3.741 4.814 . 0 0 "[ . 1 . 2]" 2
210 1 4 TYR QE 1 51 GLU H . . 5.900 3.753 3.455 4.181 . 0 0 "[ . 1 . 2]" 2
211 1 4 TYR QE 1 51 GLU HA . . 6.000 3.347 3.153 3.542 . 0 0 "[ . 1 . 2]" 2
212 1 4 TYR QE 1 51 GLU QB . . 6.900 2.667 2.405 3.039 . 0 0 "[ . 1 . 2]" 2
213 1 4 TYR QE 1 51 GLU HG2 . . 5.600 4.968 4.688 5.070 . 0 0 "[ . 1 . 2]" 2
214 1 4 TYR QE 1 51 GLU HG3 . . 5.600 3.704 3.210 4.009 . 0 0 "[ . 1 . 2]" 2
215 1 4 TYR QE 1 52 VAL H . . 8.000 4.782 4.501 4.971 . 0 0 "[ . 1 . 2]" 2
216 1 5 THR H 1 5 THR MG . . 4.700 3.053 2.106 3.852 . 0 0 "[ . 1 . 2]" 2
217 1 5 THR H 1 12 ILE MD . . 7.000 5.119 4.760 5.464 . 0 0 "[ . 1 . 2]" 2
218 1 5 THR H 1 13 TYR H . . 5.000 4.950 4.872 4.995 . 0 0 "[ . 1 . 2]" 2
219 1 5 THR H 1 49 PHE QD . . 8.000 5.406 4.112 6.134 . 0 0 "[ . 1 . 2]" 2
220 1 5 THR H 1 50 GLU H . . 3.100 3.131 2.909 3.212 0.112 20 0 "[ . 1 . 2]" 2
221 1 5 THR H 1 50 GLU HB3 . . 4.300 4.355 4.239 4.406 0.106 6 0 "[ . 1 . 2]" 2
222 1 5 THR H 1 51 GLU HA . . 4.100 3.854 3.731 3.941 . 0 0 "[ . 1 . 2]" 2
223 1 5 THR H 1 52 VAL H . . 5.600 4.211 3.945 4.489 . 0 0 "[ . 1 . 2]" 2
224 1 5 THR H 1 52 VAL MG2 . . 4.200 2.412 2.153 2.672 . 0 0 "[ . 1 . 2]" 2
225 1 11 TYR QB 1 41 LEU HG . . 7.000 6.127 4.759 6.279 . 0 0 "[ . 1 . 2]" 2
226 1 11 TYR QD 1 41 LEU HG . . 8.000 5.172 4.285 6.536 . 0 0 "[ . 1 . 2]" 2
227 1 11 TYR QD 1 41 LEU MD1 . . 9.000 4.676 3.441 6.562 . 0 0 "[ . 1 . 2]" 2
228 1 11 TYR QD 1 41 LEU MD2 . . 7.600 5.571 3.757 6.548 . 0 0 "[ . 1 . 2]" 2
229 1 12 ILE MG 1 13 TYR H . . 4.300 2.845 2.686 3.086 . 0 0 "[ . 1 . 2]" 2
230 1 12 ILE MG 1 13 TYR HA . . 7.000 3.969 3.862 4.122 . 0 0 "[ . 1 . 2]" 2
231 1 12 ILE MG 1 13 TYR QB . . 8.000 4.013 3.826 4.224 . 0 0 "[ . 1 . 2]" 2
232 1 12 ILE MG 1 14 ASN H . . 5.300 4.259 4.087 4.416 . 0 0 "[ . 1 . 2]" 2
233 1 12 ILE MG 1 14 ASN HA . . 5.800 3.857 3.667 4.015 . 0 0 "[ . 1 . 2]" 2
234 1 12 ILE MG 1 14 ASN HB2 . . 4.400 3.266 3.030 3.395 . 0 0 "[ . 1 . 2]" 2
235 1 12 ILE MG 1 14 ASN HB3 . . 6.000 4.635 4.325 4.776 . 0 0 "[ . 1 . 2]" 2
236 1 12 ILE MG 1 14 ASN HD21 . . 6.500 5.338 4.877 5.438 . 0 0 "[ . 1 . 2]" 2
237 1 12 ILE MG 1 14 ASN HD22 . . 7.000 5.892 5.867 5.944 . 0 0 "[ . 1 . 2]" 2
238 1 12 ILE MG 1 52 VAL MG2 . . 4.500 2.632 2.447 2.883 . 0 0 "[ . 1 . 2]" 2
239 1 12 ILE MD 1 13 TYR H . . 7.000 5.077 4.933 5.268 . 0 0 "[ . 1 . 2]" 2
240 1 12 ILE MD 1 52 VAL MG2 . . 5.200 2.464 2.199 2.802 . 0 0 "[ . 1 . 2]" 2
241 1 13 TYR HA 1 14 ASN H . . 3.400 2.226 2.191 2.260 . 0 0 "[ . 1 . 2]" 2
242 1 13 TYR HA 1 14 ASN HB3 . . 6.000 4.635 4.454 4.706 . 0 0 "[ . 1 . 2]" 2
243 1 13 TYR QB 1 30 PHE QD . . 7.600 2.888 2.510 3.590 . 0 0 "[ . 1 . 2]" 2
244 1 13 TYR QB 1 37 TRP HH2 . . 6.300 3.030 2.483 3.415 . 0 0 "[ . 1 . 2]" 2
245 1 13 TYR QD 1 14 ASN H . . 7.600 3.539 2.918 3.751 . 0 0 "[ . 1 . 2]" 2
246 1 13 TYR QD 1 19 ASP QB . . 9.000 3.500 2.796 4.764 . 0 0 "[ . 1 . 2]" 2
247 1 13 TYR QD 1 30 PHE H . . 8.000 4.586 4.196 4.887 . 0 0 "[ . 1 . 2]" 2
248 1 13 TYR QD 1 30 PHE HB2 . . 5.400 3.498 2.964 3.848 . 0 0 "[ . 1 . 2]" 2
249 1 13 TYR QD 1 30 PHE HB3 . . 7.700 5.097 4.485 5.378 . 0 0 "[ . 1 . 2]" 2
250 1 13 TYR QD 1 30 PHE QD . . 8.200 2.283 2.031 2.405 . 0 0 "[ . 1 . 2]" 2
251 1 13 TYR QD 1 30 PHE QE . . 8.300 3.272 2.830 3.437 . 0 0 "[ . 1 . 2]" 2
252 1 13 TYR QD 1 30 PHE HZ . . 5.300 4.866 4.822 4.924 . 0 0 "[ . 1 . 2]" 2
253 1 13 TYR QE 1 15 PRO HA . . 5.000 2.450 2.296 3.007 . 0 0 "[ . 1 . 2]" 2
254 1 13 TYR QE 1 15 PRO HB2 . . 6.800 3.867 3.732 4.371 . 0 0 "[ . 1 . 2]" 2
255 1 13 TYR QE 1 15 PRO HB3 . . 5.300 2.260 2.132 2.687 . 0 0 "[ . 1 . 2]" 2
256 1 13 TYR QE 1 15 PRO HG3 . . 5.700 3.600 3.399 3.852 . 0 0 "[ . 1 . 2]" 2
257 1 13 TYR QE 1 18 GLY H . . 8.000 4.472 4.031 4.577 . 0 0 "[ . 1 . 2]" 2
258 1 13 TYR QE 1 18 GLY HA2 . . 5.100 3.211 2.555 3.540 . 0 0 "[ . 1 . 2]" 2
259 1 13 TYR QE 1 18 GLY HA3 . . 6.100 4.423 3.858 4.710 . 0 0 "[ . 1 . 2]" 2
260 1 13 TYR QE 1 19 ASP H . . 7.800 3.595 3.174 3.948 . 0 0 "[ . 1 . 2]" 2
261 1 13 TYR QE 1 19 ASP QB . . 7.400 2.434 2.183 4.138 . 0 0 "[ . 1 . 2]" 2
262 1 13 TYR QE 1 24 VAL MG1 . . 6.500 2.249 2.114 2.527 . 0 0 "[ . 1 . 2]" 2
263 1 13 TYR QE 1 28 THR HB . . 6.600 4.230 4.165 4.278 . 0 0 "[ . 1 . 2]" 2
264 1 13 TYR QE 1 30 PHE H . . 5.900 3.366 2.879 3.544 . 0 0 "[ . 1 . 2]" 2
265 1 13 TYR QE 1 30 PHE HA . . 6.500 3.597 3.125 3.791 . 0 0 "[ . 1 . 2]" 2
266 1 13 TYR QE 1 30 PHE HB2 . . 6.800 3.524 2.937 3.710 . 0 0 "[ . 1 . 2]" 2
267 1 13 TYR QE 1 30 PHE QD . . 9.400 3.421 2.792 4.029 . 0 0 "[ . 1 . 2]" 2
268 1 13 TYR QE 1 33 ILE HG13 . . 8.000 4.228 3.912 4.308 . 0 0 "[ . 1 . 2]" 2
269 1 13 TYR QE 1 33 ILE MD . . 7.600 2.517 2.388 2.632 . 0 0 "[ . 1 . 2]" 2
270 1 13 TYR HH 1 15 PRO HA . . 2.500 2.362 2.225 2.466 . 0 0 "[ . 1 . 2]" 2
271 1 13 TYR HH 1 15 PRO HB2 . . 4.700 4.131 3.912 4.265 . 0 0 "[ . 1 . 2]" 2
272 1 13 TYR HH 1 15 PRO HB3 . . 3.400 3.109 2.929 3.238 . 0 0 "[ . 1 . 2]" 2
273 1 13 TYR HH 1 18 GLY H . . 4.400 4.411 4.381 4.433 0.033 19 0 "[ . 1 . 2]" 2
274 1 13 TYR HH 1 18 GLY HA2 . . 3.200 3.040 2.877 3.164 . 0 0 "[ . 1 . 2]" 2
275 1 13 TYR HH 1 18 GLY HA3 . . 4.400 4.434 4.411 4.467 0.067 14 0 "[ . 1 . 2]" 2
276 1 13 TYR HH 1 19 ASP H . . 6.000 5.076 4.983 5.331 . 0 0 "[ . 1 . 2]" 2
277 1 13 TYR HH 1 24 VAL MG1 . . 4.000 2.827 2.780 2.882 . 0 0 "[ . 1 . 2]" 2
278 1 13 TYR HH 1 26 PRO HA . . 5.500 5.198 5.153 5.263 . 0 0 "[ . 1 . 2]" 2
279 1 13 TYR HH 1 27 GLY H . . 5.700 4.989 4.904 5.049 . 0 0 "[ . 1 . 2]" 2
280 1 13 TYR HH 1 28 THR H . . 3.100 3.164 3.138 3.194 0.094 6 0 "[ . 1 . 2]" 2
281 1 13 TYR HH 1 28 THR HA . . 4.500 4.470 4.437 4.498 . 0 0 "[ . 1 . 2]" 2
282 1 13 TYR HH 1 28 THR HB . . 2.400 2.442 2.424 2.466 0.066 20 0 "[ . 1 . 2]" 2
283 1 13 TYR HH 1 28 THR MG . . 4.600 3.231 3.152 3.299 . 0 0 "[ . 1 . 2]" 2
284 1 13 TYR HH 1 28 THR HG1 . . 4.700 4.440 4.397 4.503 . 0 0 "[ . 1 . 2]" 2
285 1 13 TYR HH 1 29 ASP H . . 4.800 4.827 4.808 4.844 0.044 9 0 "[ . 1 . 2]" 2
286 1 13 TYR HH 1 29 ASP HA . . 4.500 4.345 4.193 4.472 . 0 0 "[ . 1 . 2]" 2
287 1 13 TYR HH 1 30 PHE H . . 4.500 4.485 4.310 4.541 0.041 16 0 "[ . 1 . 2]" 2
288 1 13 TYR HH 1 30 PHE HA . . 4.400 4.278 4.029 4.367 . 0 0 "[ . 1 . 2]" 2
289 1 13 TYR HH 1 30 PHE HB2 . . 6.000 5.322 4.972 5.477 . 0 0 "[ . 1 . 2]" 2
290 1 13 TYR HH 1 30 PHE QD . . 6.700 5.233 4.399 5.998 . 0 0 "[ . 1 . 2]" 2
291 1 13 TYR HH 1 33 ILE MG . . 6.700 5.253 5.157 5.403 . 0 0 "[ . 1 . 2]" 2
292 1 13 TYR HH 1 33 ILE HG12 . . 4.800 3.754 3.652 3.898 . 0 0 "[ . 1 . 2]" 2
293 1 13 TYR HH 1 33 ILE HG13 . . 3.900 3.939 3.924 3.957 0.057 14 0 "[ . 1 . 2]" 2
294 1 13 TYR HH 1 33 ILE MD . . 4.800 3.005 2.863 3.163 . 0 0 "[ . 1 . 2]" 2
295 1 14 ASN H 1 14 ASN HB2 . . 3.200 3.095 3.040 3.166 . 0 0 "[ . 1 . 2]" 2
296 1 14 ASN H 1 14 ASN HB3 . . 2.700 2.673 2.587 2.720 0.020 18 0 "[ . 1 . 2]" 2
297 1 14 ASN H 1 14 ASN HD21 . . 5.600 5.111 5.007 5.227 . 0 0 "[ . 1 . 2]" 2
298 1 14 ASN H 1 15 PRO HD2 . . 5.100 4.954 4.900 4.988 . 0 0 "[ . 1 . 2]" 2
299 1 14 ASN H 1 15 PRO HD3 . . 4.500 4.410 4.347 4.476 . 0 0 "[ . 1 . 2]" 2
300 1 14 ASN H 1 17 ASP H . . 5.300 4.813 4.687 4.924 . 0 0 "[ . 1 . 2]" 2
301 1 14 ASN H 1 17 ASP HB2 . . 5.900 3.982 3.746 4.383 . 0 0 "[ . 1 . 2]" 2
302 1 14 ASN H 1 18 GLY H . . 5.100 4.381 4.293 4.489 . 0 0 "[ . 1 . 2]" 2
303 1 14 ASN HA 1 14 ASN HB2 . . 3.000 2.498 2.409 2.531 . 0 0 "[ . 1 . 2]" 2
304 1 14 ASN HA 1 14 ASN HD21 . . 4.500 4.460 4.412 4.495 . 0 0 "[ . 1 . 2]" 2
305 1 14 ASN HA 1 14 ASN HD22 . . 5.300 4.621 4.572 4.736 . 0 0 "[ . 1 . 2]" 2
306 1 14 ASN HA 1 15 PRO HA . . 4.600 4.432 4.402 4.472 . 0 0 "[ . 1 . 2]" 2
307 1 14 ASN HA 1 15 PRO HG2 . . 4.500 4.414 4.339 4.466 . 0 0 "[ . 1 . 2]" 2
308 1 14 ASN HA 1 15 PRO HG3 . . 4.400 4.466 4.427 4.489 0.089 3 0 "[ . 1 . 2]" 2
309 1 14 ASN HA 1 15 PRO HD2 . . 2.300 2.297 2.247 2.340 0.040 17 0 "[ . 1 . 2]" 2
310 1 14 ASN HA 1 15 PRO HD3 . . 2.400 2.282 2.192 2.342 . 0 0 "[ . 1 . 2]" 2
311 1 14 ASN HA 1 16 GLU H . . 4.200 3.947 3.823 4.027 . 0 0 "[ . 1 . 2]" 2
312 1 14 ASN HA 1 17 ASP H . . 4.400 4.456 4.436 4.481 0.081 9 0 "[ . 1 . 2]" 2
313 1 14 ASN HA 1 18 GLY H . . 5.900 5.024 4.934 5.084 . 0 0 "[ . 1 . 2]" 2
314 1 14 ASN HB2 1 14 ASN HD21 . . 2.700 2.717 2.600 2.767 0.067 20 0 "[ . 1 . 2]" 2
315 1 14 ASN HB2 1 14 ASN HD22 . . 3.700 3.633 3.603 3.690 . 0 0 "[ . 1 . 2]" 2
316 1 14 ASN HB2 1 15 PRO HD2 . . 4.600 4.361 4.203 4.430 . 0 0 "[ . 1 . 2]" 2
317 1 14 ASN HB2 1 15 PRO HD3 . . 5.600 4.776 4.688 4.862 . 0 0 "[ . 1 . 2]" 2
318 1 14 ASN HB2 1 16 GLU H . . 6.000 5.157 5.061 5.235 . 0 0 "[ . 1 . 2]" 2
319 1 14 ASN HB2 1 17 ASP H . . 4.700 4.611 4.483 4.709 0.009 9 0 "[ . 1 . 2]" 2
320 1 14 ASN HB2 1 17 ASP HB2 . . 4.200 3.936 3.768 4.013 . 0 0 "[ . 1 . 2]" 2
321 1 14 ASN HB3 1 14 ASN HD21 . . 2.900 2.494 2.402 2.611 . 0 0 "[ . 1 . 2]" 2
322 1 14 ASN HB3 1 14 ASN HD22 . . 3.900 3.660 3.450 3.751 . 0 0 "[ . 1 . 2]" 2
323 1 14 ASN HB3 1 15 PRO HD2 . . 4.800 4.594 4.563 4.630 . 0 0 "[ . 1 . 2]" 2
324 1 14 ASN HB3 1 15 PRO HD3 . . 5.600 5.037 4.959 5.090 . 0 0 "[ . 1 . 2]" 2
325 1 14 ASN HB3 1 16 GLU H . . 4.800 4.561 4.428 4.765 . 0 0 "[ . 1 . 2]" 2
326 1 14 ASN HB3 1 17 ASP H . . 3.500 3.251 3.131 3.487 . 0 0 "[ . 1 . 2]" 2
327 1 14 ASN HB3 1 17 ASP HB2 . . 2.600 2.218 2.097 2.388 . 0 0 "[ . 1 . 2]" 2
328 1 14 ASN HB3 1 17 ASP HB3 . . 6.000 3.791 3.690 3.935 . 0 0 "[ . 1 . 2]" 2
329 1 14 ASN HB3 1 18 GLY H . . 5.800 3.973 3.734 4.133 . 0 0 "[ . 1 . 2]" 2
330 1 14 ASN HD21 1 16 GLU H . . 6.000 4.951 4.830 5.187 . 0 0 "[ . 1 . 2]" 2
331 1 14 ASN HD21 1 16 GLU HB2 . . 4.400 4.159 3.935 4.415 0.015 16 0 "[ . 1 . 2]" 2
332 1 14 ASN HD21 1 16 GLU HB3 . . 5.700 5.628 5.408 5.813 0.113 16 0 "[ . 1 . 2]" 2
333 1 14 ASN HD21 1 17 ASP HB2 . . 4.300 3.273 2.918 3.432 . 0 0 "[ . 1 . 2]" 2
334 1 14 ASN HD21 1 17 ASP HB3 . . 5.300 4.315 4.150 4.558 . 0 0 "[ . 1 . 2]" 2
335 1 14 ASN HD22 1 15 PRO HD2 . . 5.000 4.779 4.676 4.933 . 0 0 "[ . 1 . 2]" 2
336 1 14 ASN HD22 1 16 GLU H . . 4.300 4.238 4.071 4.324 0.024 6 0 "[ . 1 . 2]" 2
337 1 14 ASN HD22 1 16 GLU HB2 . . 3.300 3.014 2.795 3.188 . 0 0 "[ . 1 . 2]" 2
338 1 14 ASN HD22 1 16 GLU HB3 . . 4.700 4.538 4.161 4.710 0.010 1 0 "[ . 1 . 2]" 2
339 1 14 ASN HD22 1 16 GLU HG3 . . 5.500 4.547 4.383 4.755 . 0 0 "[ . 1 . 2]" 2
340 1 15 PRO HA 1 15 PRO HB3 . . 2.700 2.342 2.306 2.417 . 0 0 "[ . 1 . 2]" 2
341 1 15 PRO HA 1 15 PRO HG2 . . 3.800 3.963 3.906 4.013 0.213 10 0 "[ . 1 . 2]" 2
342 1 15 PRO HA 1 15 PRO HG3 . . 3.700 3.956 3.875 4.040 0.340 6 0 "[ . 1 . 2]" 2
343 1 15 PRO HA 1 16 GLU H . . 3.900 3.561 3.524 3.601 . 0 0 "[ . 1 . 2]" 2
344 1 15 PRO HA 1 16 GLU HA . . 6.000 4.762 4.709 4.807 . 0 0 "[ . 1 . 2]" 2
345 1 15 PRO HA 1 17 ASP H . . 3.800 3.895 3.865 3.941 0.141 15 0 "[ . 1 . 2]" 2
346 1 15 PRO HA 1 18 GLY H . . 3.400 2.886 2.832 3.001 . 0 0 "[ . 1 . 2]" 2
347 1 15 PRO HA 1 18 GLY HA2 . . 3.300 2.917 2.783 3.086 . 0 0 "[ . 1 . 2]" 2
348 1 15 PRO HA 1 18 GLY HA3 . . 4.600 4.399 4.309 4.521 . 0 0 "[ . 1 . 2]" 2
349 1 15 PRO HA 1 27 GLY H . . 4.100 4.023 3.956 4.059 . 0 0 "[ . 1 . 2]" 2
350 1 15 PRO HA 1 27 GLY HA2 . . 5.100 4.768 4.644 4.911 . 0 0 "[ . 1 . 2]" 2
351 1 15 PRO HA 1 28 THR H . . 3.900 3.572 3.454 3.654 . 0 0 "[ . 1 . 2]" 2
352 1 15 PRO HA 1 28 THR HB . . 4.600 4.277 4.158 4.373 . 0 0 "[ . 1 . 2]" 2
353 1 15 PRO HB2 1 15 PRO HG2 . . 2.400 2.336 2.296 2.394 . 0 0 "[ . 1 . 2]" 2
354 1 15 PRO HB2 1 15 PRO HG3 . . 3.000 2.748 2.709 2.780 . 0 0 "[ . 1 . 2]" 2
355 1 15 PRO HB2 1 15 PRO HD2 . . 3.900 3.958 3.895 4.025 0.125 9 0 "[ . 1 . 2]" 2
356 1 15 PRO HB2 1 15 PRO HD3 . . 4.200 4.087 4.037 4.127 . 0 0 "[ . 1 . 2]" 2
357 1 15 PRO HB2 1 16 GLU H . . 3.400 3.316 3.153 3.402 0.002 14 0 "[ . 1 . 2]" 2
358 1 15 PRO HB2 1 16 GLU HA . . 4.600 4.010 3.812 4.103 . 0 0 "[ . 1 . 2]" 2
359 1 15 PRO HB2 1 27 GLY H . . 4.500 4.190 4.011 4.390 . 0 0 "[ . 1 . 2]" 2
360 1 15 PRO HB2 1 27 GLY HA2 . . 4.100 3.449 3.277 3.661 . 0 0 "[ . 1 . 2]" 2
361 1 15 PRO HB2 1 28 THR H . . 4.500 4.045 3.643 4.298 . 0 0 "[ . 1 . 2]" 2
362 1 15 PRO HB2 1 29 ASP H . . 6.000 4.915 4.596 5.174 . 0 0 "[ . 1 . 2]" 2
363 1 15 PRO HB2 1 29 ASP HA . . 3.900 3.550 3.286 3.726 . 0 0 "[ . 1 . 2]" 2
364 1 15 PRO HB2 1 30 PHE H . . 4.900 4.772 4.543 4.918 0.018 10 0 "[ . 1 . 2]" 2
365 1 15 PRO HB3 1 15 PRO HD2 . . 4.200 3.956 3.907 3.989 . 0 0 "[ . 1 . 2]" 2
366 1 15 PRO HB3 1 15 PRO HD3 . . 3.500 3.302 3.160 3.408 . 0 0 "[ . 1 . 2]" 2
367 1 15 PRO HB3 1 16 GLU H . . 4.500 4.221 4.114 4.288 . 0 0 "[ . 1 . 2]" 2
368 1 15 PRO HB3 1 27 GLY H . . 5.200 5.228 5.182 5.272 0.072 9 0 "[ . 1 . 2]" 2
369 1 15 PRO HB3 1 27 GLY HA2 . . 6.000 4.899 4.736 5.096 . 0 0 "[ . 1 . 2]" 2
370 1 15 PRO HB3 1 28 THR H . . 4.400 4.353 4.175 4.421 0.021 13 0 "[ . 1 . 2]" 2
371 1 15 PRO HB3 1 29 ASP H . . 5.000 4.726 4.425 4.856 . 0 0 "[ . 1 . 2]" 2
372 1 15 PRO HB3 1 29 ASP HA . . 2.900 2.789 2.554 2.909 0.009 9 0 "[ . 1 . 2]" 2
373 1 15 PRO HB3 1 30 PHE H . . 3.700 3.312 3.212 3.452 . 0 0 "[ . 1 . 2]" 2
374 1 15 PRO HD2 1 15 PRO HG2 . . 2.700 2.233 2.196 2.258 . 0 0 "[ . 1 . 2]" 2
375 1 15 PRO HD3 1 15 PRO HG2 . . 3.000 2.975 2.948 3.005 0.005 14 0 "[ . 1 . 2]" 2
376 1 15 PRO HG2 1 16 GLU H . . 3.200 2.667 2.462 2.910 . 0 0 "[ . 1 . 2]" 2
377 1 15 PRO HG2 1 16 GLU HA . . 4.900 4.544 4.284 4.802 . 0 0 "[ . 1 . 2]" 2
378 1 15 PRO HD2 1 15 PRO HG3 . . 3.100 2.765 2.705 2.833 . 0 0 "[ . 1 . 2]" 2
379 1 15 PRO HD3 1 15 PRO HG3 . . 2.700 2.338 2.288 2.369 . 0 0 "[ . 1 . 2]" 2
380 1 15 PRO HG3 1 16 GLU H . . 4.800 4.089 3.949 4.255 . 0 0 "[ . 1 . 2]" 2
381 1 15 PRO HG3 1 29 ASP HA . . 4.400 3.924 3.643 4.162 . 0 0 "[ . 1 . 2]" 2
382 1 15 PRO HG3 1 30 PHE H . . 4.000 4.024 4.002 4.070 0.070 3 0 "[ . 1 . 2]" 2
383 1 15 PRO HD2 1 16 GLU H . . 3.000 2.602 2.466 2.760 . 0 0 "[ . 1 . 2]" 2
384 1 15 PRO HD3 1 16 GLU H . . 4.000 3.888 3.761 4.010 0.010 20 0 "[ . 1 . 2]" 2
385 1 16 GLU H 1 16 GLU HA . . 3.000 2.839 2.821 2.856 . 0 0 "[ . 1 . 2]" 2
386 1 16 GLU H 1 16 GLU HB2 . . 2.800 2.422 2.352 2.477 . 0 0 "[ . 1 . 2]" 2
387 1 16 GLU H 1 16 GLU HB3 . . 3.500 3.513 3.474 3.535 0.035 14 0 "[ . 1 . 2]" 2
388 1 16 GLU H 1 16 GLU HG2 . . 3.400 2.972 2.650 3.119 . 0 0 "[ . 1 . 2]" 2
389 1 16 GLU H 1 16 GLU HG3 . . 3.200 2.241 2.064 2.636 . 0 0 "[ . 1 . 2]" 2
390 1 16 GLU H 1 17 ASP H . . 2.800 2.589 2.522 2.640 . 0 0 "[ . 1 . 2]" 2
391 1 16 GLU H 1 17 ASP HA . . 6.000 5.331 5.302 5.364 . 0 0 "[ . 1 . 2]" 2
392 1 16 GLU H 1 17 ASP HB2 . . 4.700 4.733 4.710 4.751 0.051 12 0 "[ . 1 . 2]" 2
393 1 16 GLU H 1 18 GLY H . . 4.100 3.846 3.717 3.937 . 0 0 "[ . 1 . 2]" 2
394 1 16 GLU H 1 27 GLY H . . 5.100 4.502 4.417 4.559 . 0 0 "[ . 1 . 2]" 2
395 1 16 GLU HA 1 16 GLU HB2 . . 3.000 3.040 3.037 3.045 0.045 9 0 "[ . 1 . 2]" 2
396 1 16 GLU HA 1 16 GLU HB3 . . 2.900 2.443 2.394 2.521 . 0 0 "[ . 1 . 2]" 2
397 1 16 GLU HA 1 16 GLU HG2 . . 2.900 2.312 2.204 2.381 . 0 0 "[ . 1 . 2]" 2
398 1 16 GLU HA 1 16 GLU HG3 . . 3.700 3.312 3.226 3.507 . 0 0 "[ . 1 . 2]" 2
399 1 16 GLU HA 1 17 ASP H . . 3.500 3.474 3.434 3.505 0.005 9 0 "[ . 1 . 2]" 2
400 1 16 GLU HA 1 18 GLY H . . 4.900 4.386 4.282 4.467 . 0 0 "[ . 1 . 2]" 2
401 1 16 GLU HA 1 26 PRO HA . . 6.000 4.536 4.377 4.670 . 0 0 "[ . 1 . 2]" 2
402 1 16 GLU HA 1 27 GLY H . . 3.000 2.848 2.695 2.975 . 0 0 "[ . 1 . 2]" 2
403 1 16 GLU HA 1 27 GLY HA2 . . 3.000 2.982 2.884 3.028 0.028 12 0 "[ . 1 . 2]" 2
404 1 16 GLU HA 1 27 GLY HA3 . . 4.500 4.267 4.186 4.358 . 0 0 "[ . 1 . 2]" 2
405 1 16 GLU HB2 1 17 ASP H . . 3.300 2.960 2.894 3.003 . 0 0 "[ . 1 . 2]" 2
406 1 16 GLU HB2 1 17 ASP HA . . 4.900 4.676 4.614 4.775 . 0 0 "[ . 1 . 2]" 2
407 1 16 GLU HB3 1 16 GLU HG2 . . 2.800 2.673 2.599 2.813 0.013 18 0 "[ . 1 . 2]" 2
408 1 16 GLU HB3 1 17 ASP H . . 3.800 3.885 3.814 3.946 0.146 6 0 "[ . 1 . 2]" 2
409 1 16 GLU HB3 1 17 ASP HA . . 5.400 4.725 4.592 4.939 . 0 0 "[ . 1 . 2]" 2
410 1 16 GLU HG2 1 17 ASP H . . 4.900 4.830 4.622 4.917 0.017 7 0 "[ . 1 . 2]" 2
411 1 16 GLU HG3 1 17 ASP H . . 5.200 4.431 4.266 4.679 . 0 0 "[ . 1 . 2]" 2
412 1 17 ASP H 1 17 ASP HA . . 3.100 2.992 2.985 3.002 . 0 0 "[ . 1 . 2]" 2
413 1 17 ASP H 1 17 ASP HB2 . . 2.800 2.378 2.334 2.433 . 0 0 "[ . 1 . 2]" 2
414 1 17 ASP H 1 17 ASP HB3 . . 3.600 3.626 3.605 3.650 0.050 15 0 "[ . 1 . 2]" 2
415 1 17 ASP H 1 18 GLY H . . 2.500 2.134 2.097 2.156 . 0 0 "[ . 1 . 2]" 2
416 1 17 ASP H 1 18 GLY HA2 . . 4.300 4.331 4.298 4.352 0.052 10 0 "[ . 1 . 2]" 2
417 1 17 ASP H 1 18 GLY HA3 . . 4.900 4.848 4.809 4.868 . 0 0 "[ . 1 . 2]" 2
418 1 17 ASP H 1 26 PRO HA . . 5.000 4.458 4.414 4.497 . 0 0 "[ . 1 . 2]" 2
419 1 17 ASP H 1 26 PRO HB3 . . 4.800 4.737 4.675 4.783 . 0 0 "[ . 1 . 2]" 2
420 1 17 ASP HA 1 17 ASP HB2 . . 3.000 3.027 3.016 3.036 0.036 6 0 "[ . 1 . 2]" 2
421 1 17 ASP HA 1 17 ASP HB3 . . 2.700 2.509 2.482 2.568 . 0 0 "[ . 1 . 2]" 2
422 1 17 ASP HA 1 18 GLY H . . 4.800 3.545 3.513 3.563 . 0 0 "[ . 1 . 2]" 2
423 1 17 ASP HA 1 26 PRO HA . . 5.000 4.118 3.987 4.203 . 0 0 "[ . 1 . 2]" 2
424 1 17 ASP HA 1 26 PRO HB3 . . 3.200 2.967 2.803 3.022 . 0 0 "[ . 1 . 2]" 2
425 1 17 ASP HA 1 26 PRO HG3 . . 4.800 4.821 4.651 4.844 0.044 12 0 "[ . 1 . 2]" 2
426 1 17 ASP HB2 1 18 GLY H . . 3.200 2.845 2.746 3.121 . 0 0 "[ . 1 . 2]" 2
427 1 17 ASP HB3 1 18 GLY H . . 4.000 3.800 3.716 3.933 . 0 0 "[ . 1 . 2]" 2
428 1 17 ASP HB3 1 26 PRO HA . . 6.000 5.504 5.371 5.578 . 0 0 "[ . 1 . 2]" 2
429 1 18 GLY H 1 18 GLY HA2 . . 2.700 2.219 2.199 2.267 . 0 0 "[ . 1 . 2]" 2
430 1 18 GLY H 1 18 GLY HA3 . . 2.900 2.865 2.846 2.910 0.010 6 0 "[ . 1 . 2]" 2
431 1 18 GLY H 1 19 ASP H . . 4.700 4.568 4.536 4.590 . 0 0 "[ . 1 . 2]" 2
432 1 18 GLY H 1 20 PRO HD3 . . 5.200 4.970 4.801 5.126 . 0 0 "[ . 1 . 2]" 2
433 1 18 GLY H 1 24 VAL MG1 . . 6.800 4.600 4.451 4.709 . 0 0 "[ . 1 . 2]" 2
434 1 18 GLY H 1 26 PRO HA . . 3.200 3.182 3.144 3.217 0.017 6 0 "[ . 1 . 2]" 2
435 1 18 GLY H 1 27 GLY H . . 3.700 3.600 3.554 3.671 . 0 0 "[ . 1 . 2]" 2
436 1 18 GLY H 1 28 THR H . . 4.400 4.463 4.447 4.476 0.076 10 0 "[ . 1 . 2]" 2
437 1 18 GLY HA2 1 19 ASP H . . 3.100 2.857 2.809 2.924 . 0 0 "[ . 1 . 2]" 2
438 1 18 GLY HA2 1 19 ASP QB . . 5.500 4.189 4.049 4.958 . 0 0 "[ . 1 . 2]" 2
439 1 18 GLY HA2 1 20 PRO HD3 . . 4.700 4.308 4.201 4.446 . 0 0 "[ . 1 . 2]" 2
440 1 18 GLY HA2 1 24 VAL HB . . 4.600 4.392 4.266 4.648 0.048 6 0 "[ . 1 . 2]" 2
441 1 18 GLY HA2 1 24 VAL MG1 . . 3.900 2.653 2.523 2.751 . 0 0 "[ . 1 . 2]" 2
442 1 18 GLY HA2 1 26 PRO HA . . 3.400 3.287 3.130 3.411 0.011 10 0 "[ . 1 . 2]" 2
443 1 18 GLY HA2 1 27 GLY H . . 4.200 4.178 3.981 4.252 0.052 10 0 "[ . 1 . 2]" 2
444 1 18 GLY HA2 1 28 THR H . . 4.300 3.690 3.440 3.881 . 0 0 "[ . 1 . 2]" 2
445 1 18 GLY HA2 1 28 THR HB . . 4.000 3.774 3.571 3.932 . 0 0 "[ . 1 . 2]" 2
446 1 18 GLY HA3 1 19 ASP H . . 2.400 2.297 2.247 2.326 . 0 0 "[ . 1 . 2]" 2
447 1 18 GLY HA3 1 19 ASP HA . . 4.500 4.370 4.304 4.403 . 0 0 "[ . 1 . 2]" 2
448 1 18 GLY HA3 1 19 ASP QB . . 7.000 4.562 4.394 5.120 . 0 0 "[ . 1 . 2]" 2
449 1 18 GLY HA3 1 20 PRO HA . . 5.800 5.180 4.969 5.329 . 0 0 "[ . 1 . 2]" 2
450 1 18 GLY HA3 1 20 PRO QG . . 5.800 4.662 4.552 4.822 . 0 0 "[ . 1 . 2]" 2
451 1 18 GLY HA3 1 20 PRO HD2 . . 4.800 4.261 4.181 4.409 . 0 0 "[ . 1 . 2]" 2
452 1 18 GLY HA3 1 20 PRO HD3 . . 3.200 2.874 2.776 3.000 . 0 0 "[ . 1 . 2]" 2
453 1 18 GLY HA3 1 24 VAL HB . . 4.600 4.390 4.270 4.536 . 0 0 "[ . 1 . 2]" 2
454 1 18 GLY HA3 1 24 VAL MG1 . . 3.900 2.909 2.676 3.046 . 0 0 "[ . 1 . 2]" 2
455 1 18 GLY HA3 1 26 PRO HA . . 2.600 2.284 2.241 2.325 . 0 0 "[ . 1 . 2]" 2
456 1 18 GLY HA3 1 26 PRO HB3 . . 4.100 3.819 3.754 3.911 . 0 0 "[ . 1 . 2]" 2
457 1 18 GLY HA3 1 26 PRO HG3 . . 5.200 5.224 5.172 5.243 0.043 20 0 "[ . 1 . 2]" 2
458 1 18 GLY HA3 1 27 GLY H . . 4.000 4.006 3.923 4.031 0.031 18 0 "[ . 1 . 2]" 2
459 1 18 GLY HA3 1 28 THR H . . 4.200 3.933 3.891 4.002 . 0 0 "[ . 1 . 2]" 2
460 1 18 GLY HA3 1 28 THR HB . . 4.600 4.252 4.147 4.307 . 0 0 "[ . 1 . 2]" 2
461 1 19 ASP H 1 20 PRO HA . . 4.300 3.796 3.650 3.965 . 0 0 "[ . 1 . 2]" 2
462 1 19 ASP H 1 20 PRO HB3 . . 6.000 4.576 4.360 4.875 . 0 0 "[ . 1 . 2]" 2
463 1 19 ASP H 1 20 PRO QG . . 5.300 4.544 4.492 4.683 . 0 0 "[ . 1 . 2]" 2
464 1 19 ASP H 1 20 PRO HD2 . . 4.000 3.576 3.531 3.615 . 0 0 "[ . 1 . 2]" 2
465 1 19 ASP H 1 20 PRO HD3 . . 2.800 2.638 2.585 2.794 . 0 0 "[ . 1 . 2]" 2
466 1 19 ASP H 1 24 VAL H . . 3.700 3.505 3.425 3.728 0.028 6 0 "[ . 1 . 2]" 2
467 1 19 ASP H 1 24 VAL HA . . 4.300 4.298 4.245 4.318 0.018 4 0 "[ . 1 . 2]" 2
468 1 19 ASP H 1 24 VAL HB . . 2.500 2.387 2.285 2.515 0.015 6 0 "[ . 1 . 2]" 2
469 1 19 ASP H 1 24 VAL MG1 . . 3.800 2.339 2.105 2.456 . 0 0 "[ . 1 . 2]" 2
470 1 19 ASP H 1 24 VAL MG2 . . 5.300 4.059 3.985 4.131 . 0 0 "[ . 1 . 2]" 2
471 1 19 ASP H 1 25 ASN H . . 4.700 4.657 4.619 4.680 . 0 0 "[ . 1 . 2]" 2
472 1 19 ASP H 1 25 ASN HA . . 4.300 4.309 4.262 4.326 0.026 18 0 "[ . 1 . 2]" 2
473 1 19 ASP H 1 26 PRO HA . . 4.800 4.513 4.420 4.582 . 0 0 "[ . 1 . 2]" 2
474 1 19 ASP H 1 26 PRO QD . . 7.000 4.580 4.448 4.668 . 0 0 "[ . 1 . 2]" 2
475 1 19 ASP HA 1 20 PRO HA . . 5.400 4.676 4.655 4.687 . 0 0 "[ . 1 . 2]" 2
476 1 19 ASP HA 1 20 PRO QG . . 6.900 4.080 3.980 4.108 . 0 0 "[ . 1 . 2]" 2
477 1 19 ASP HA 1 20 PRO HD2 . . 3.000 2.279 2.198 2.307 . 0 0 "[ . 1 . 2]" 2
478 1 19 ASP HA 1 20 PRO HD3 . . 3.100 3.115 3.027 3.130 0.030 5 0 "[ . 1 . 2]" 2
479 1 19 ASP HA 1 21 ASP H . . 4.200 3.615 3.374 3.826 . 0 0 "[ . 1 . 2]" 2
480 1 19 ASP HA 1 22 ASN H . . 6.000 4.107 4.009 4.371 . 0 0 "[ . 1 . 2]" 2
481 1 19 ASP HA 1 24 VAL HB . . 4.200 4.175 4.060 4.236 0.036 10 0 "[ . 1 . 2]" 2
482 1 19 ASP QB 1 20 PRO HA . . 7.000 4.714 4.680 4.940 . 0 0 "[ . 1 . 2]" 2
483 1 19 ASP QB 1 20 PRO HD2 . . 6.600 4.334 4.032 4.368 . 0 0 "[ . 1 . 2]" 2
484 1 19 ASP QB 1 20 PRO HD3 . . 6.300 4.518 4.456 4.619 . 0 0 "[ . 1 . 2]" 2
485 1 19 ASP QB 1 21 ASP H . . 7.000 4.515 3.953 4.914 . 0 0 "[ . 1 . 2]" 2
486 1 19 ASP QB 1 22 ASN H . . 6.600 3.312 2.849 4.284 . 0 0 "[ . 1 . 2]" 2
487 1 19 ASP QB 1 22 ASN HB2 . . 5.600 2.325 2.172 3.594 . 0 0 "[ . 1 . 2]" 2
488 1 19 ASP QB 1 22 ASN QD . . 7.000 2.105 1.796 3.683 . 0 0 "[ . 1 . 2]" 2
489 1 19 ASP QB 1 24 VAL H . . 5.000 3.354 3.259 3.805 . 0 0 "[ . 1 . 2]" 2
490 1 19 ASP QB 1 24 VAL HA . . 6.100 4.969 4.882 5.497 . 0 0 "[ . 1 . 2]" 2
491 1 19 ASP QB 1 24 VAL HB . . 3.600 2.295 2.102 2.954 . 0 0 "[ . 1 . 2]" 2
492 1 19 ASP QB 1 24 VAL MG1 . . 5.900 3.104 2.611 4.106 . 0 0 "[ . 1 . 2]" 2
493 1 19 ASP QB 1 24 VAL MG2 . . 5.400 3.134 2.960 3.751 . 0 0 "[ . 1 . 2]" 2
494 1 19 ASP QB 1 37 TRP HD1 . . 6.200 4.506 4.181 4.718 . 0 0 "[ . 1 . 2]" 2
495 1 19 ASP QB 1 37 TRP HE1 . . 3.900 2.505 2.033 2.822 . 0 0 "[ . 1 . 2]" 2
496 1 20 PRO HA 1 20 PRO HB3 . . 2.700 2.271 2.265 2.281 . 0 0 "[ . 1 . 2]" 2
497 1 20 PRO HA 1 20 PRO HD2 . . 4.200 4.074 4.066 4.082 . 0 0 "[ . 1 . 2]" 2
498 1 20 PRO HA 1 20 PRO HD3 . . 3.800 3.398 3.371 3.426 . 0 0 "[ . 1 . 2]" 2
499 1 20 PRO HA 1 21 ASP H . . 3.900 3.596 3.562 3.612 . 0 0 "[ . 1 . 2]" 2
500 1 20 PRO HA 1 22 ASN H . . 4.100 3.824 3.756 3.898 . 0 0 "[ . 1 . 2]" 2
501 1 20 PRO HA 1 23 GLY H . . 3.600 2.964 2.912 3.163 . 0 0 "[ . 1 . 2]" 2
502 1 20 PRO HA 1 24 VAL H . . 2.900 2.660 2.507 2.853 . 0 0 "[ . 1 . 2]" 2
503 1 20 PRO HA 1 24 VAL HB . . 5.600 4.250 3.908 4.397 . 0 0 "[ . 1 . 2]" 2
504 1 20 PRO HA 1 25 ASN H . . 4.400 4.401 4.338 4.430 0.030 2 0 "[ . 1 . 2]" 2
505 1 20 PRO HA 1 25 ASN HA . . 3.500 3.375 3.223 3.501 0.001 6 0 "[ . 1 . 2]" 2
506 1 20 PRO HA 1 26 PRO QD . . 6.000 4.313 4.167 4.445 . 0 0 "[ . 1 . 2]" 2
507 1 20 PRO HB2 1 20 PRO HD2 . . 3.900 4.119 4.103 4.137 0.237 6 0 "[ . 1 . 2]" 2
508 1 20 PRO HB2 1 20 PRO HD3 . . 4.300 3.908 3.880 3.931 . 0 0 "[ . 1 . 2]" 2
509 1 20 PRO HB2 1 21 ASP H . . 3.700 3.453 3.298 3.635 . 0 0 "[ . 1 . 2]" 2
510 1 20 PRO HB2 1 21 ASP HA . . 4.200 4.222 4.212 4.231 0.031 5 0 "[ . 1 . 2]" 2
511 1 20 PRO HB2 1 23 GLY H . . 5.900 5.004 4.743 5.112 . 0 0 "[ . 1 . 2]" 2
512 1 20 PRO HB2 1 26 PRO QD . . 5.000 4.131 3.960 4.296 . 0 0 "[ . 1 . 2]" 2
513 1 20 PRO HB3 1 20 PRO HD2 . . 4.300 3.883 3.848 3.902 . 0 0 "[ . 1 . 2]" 2
514 1 20 PRO HB3 1 20 PRO HD3 . . 3.500 2.908 2.834 2.961 . 0 0 "[ . 1 . 2]" 2
515 1 20 PRO HB3 1 21 ASP H . . 4.500 4.289 4.199 4.386 . 0 0 "[ . 1 . 2]" 2
516 1 20 PRO HB3 1 24 VAL H . . 5.000 4.814 4.658 5.010 0.010 17 0 "[ . 1 . 2]" 2
517 1 20 PRO HB3 1 25 ASN HA . . 3.300 2.665 2.566 2.824 . 0 0 "[ . 1 . 2]" 2
518 1 20 PRO HB3 1 26 PRO HG3 . . 6.000 4.809 4.622 4.974 . 0 0 "[ . 1 . 2]" 2
519 1 20 PRO HB3 1 26 PRO QD . . 5.100 2.701 2.519 2.833 . 0 0 "[ . 1 . 2]" 2
520 1 20 PRO QG 1 21 ASP H . . 5.000 2.553 2.394 2.711 . 0 0 "[ . 1 . 2]" 2
521 1 20 PRO QG 1 26 PRO QD . . 6.900 2.803 2.655 3.147 . 0 0 "[ . 1 . 2]" 2
522 1 20 PRO HD2 1 21 ASP H . . 3.000 2.965 2.912 3.015 0.015 20 0 "[ . 1 . 2]" 2
523 1 20 PRO HD3 1 21 ASP H . . 4.200 4.038 3.989 4.076 . 0 0 "[ . 1 . 2]" 2
524 1 20 PRO HD3 1 24 VAL HB . . 4.900 4.763 4.676 4.834 . 0 0 "[ . 1 . 2]" 2
525 1 20 PRO HD3 1 25 ASN HA . . 6.000 3.830 3.566 4.064 . 0 0 "[ . 1 . 2]" 2
526 1 20 PRO HD3 1 26 PRO QD . . 4.400 3.033 2.751 3.180 . 0 0 "[ . 1 . 2]" 2
527 1 21 ASP H 1 21 ASP HA . . 3.100 2.774 2.722 2.835 . 0 0 "[ . 1 . 2]" 2
528 1 21 ASP H 1 21 ASP HB2 . . 2.800 2.384 2.286 2.478 . 0 0 "[ . 1 . 2]" 2
529 1 21 ASP H 1 21 ASP HB3 . . 3.400 3.453 3.444 3.471 0.071 10 0 "[ . 1 . 2]" 2
530 1 21 ASP H 1 22 ASN H . . 2.900 2.648 2.478 2.762 . 0 0 "[ . 1 . 2]" 2
531 1 21 ASP H 1 22 ASN HA . . 5.400 5.336 5.201 5.412 0.012 18 0 "[ . 1 . 2]" 2
532 1 21 ASP H 1 22 ASN HB2 . . 5.600 4.957 4.740 5.177 . 0 0 "[ . 1 . 2]" 2
533 1 21 ASP H 1 22 ASN QD . . 3.400 3.385 3.349 3.429 0.029 6 0 "[ . 1 . 2]" 2
534 1 21 ASP H 1 23 GLY H . . 4.400 3.934 3.795 4.014 . 0 0 "[ . 1 . 2]" 2
535 1 21 ASP H 1 24 VAL H . . 5.400 4.780 4.589 4.972 . 0 0 "[ . 1 . 2]" 2
536 1 21 ASP HA 1 21 ASP HB3 . . 2.900 2.499 2.457 2.548 . 0 0 "[ . 1 . 2]" 2
537 1 21 ASP HA 1 22 ASN H . . 3.900 3.491 3.469 3.569 . 0 0 "[ . 1 . 2]" 2
538 1 21 ASP HA 1 22 ASN HA . . 5.500 4.743 4.697 4.762 . 0 0 "[ . 1 . 2]" 2
539 1 21 ASP HA 1 23 GLY H . . 4.700 4.427 3.835 4.560 . 0 0 "[ . 1 . 2]" 2
540 1 21 ASP HB2 1 22 ASN H . . 3.400 2.865 2.811 2.987 . 0 0 "[ . 1 . 2]" 2
541 1 21 ASP HB2 1 22 ASN HA . . 5.100 4.564 4.458 4.750 . 0 0 "[ . 1 . 2]" 2
542 1 21 ASP HB2 1 22 ASN QD . . 3.600 2.651 2.437 2.898 . 0 0 "[ . 1 . 2]" 2
543 1 21 ASP HB3 1 22 ASN H . . 4.000 3.869 3.801 3.989 . 0 0 "[ . 1 . 2]" 2
544 1 21 ASP HB3 1 22 ASN HA . . 5.100 4.693 4.575 4.898 . 0 0 "[ . 1 . 2]" 2
545 1 21 ASP HB3 1 22 ASN QD . . 4.600 3.920 3.561 4.150 . 0 0 "[ . 1 . 2]" 2
546 1 22 ASN H 1 22 ASN HB2 . . 3.000 2.533 2.455 2.641 . 0 0 "[ . 1 . 2]" 2
547 1 22 ASN H 1 22 ASN HB3 . . 3.700 3.655 3.629 3.707 0.007 20 0 "[ . 1 . 2]" 2
548 1 22 ASN H 1 22 ASN QD . . 4.000 2.136 1.943 2.295 . 0 0 "[ . 1 . 2]" 2
549 1 22 ASN H 1 23 GLY H . . 2.800 2.076 1.990 2.414 . 0 0 "[ . 1 . 2]" 2
550 1 22 ASN H 1 23 GLY HA2 . . 4.700 4.395 4.262 4.653 . 0 0 "[ . 1 . 2]" 2
551 1 22 ASN H 1 23 GLY HA3 . . 5.600 4.898 4.822 4.953 . 0 0 "[ . 1 . 2]" 2
552 1 22 ASN H 1 24 VAL H . . 3.600 3.416 3.219 3.503 . 0 0 "[ . 1 . 2]" 2
553 1 22 ASN H 1 24 VAL HB . . 6.000 4.816 4.386 4.945 . 0 0 "[ . 1 . 2]" 2
554 1 22 ASN H 1 24 VAL MG2 . . 6.900 5.036 4.639 5.293 . 0 0 "[ . 1 . 2]" 2
555 1 22 ASN H 1 37 TRP HE1 . . 4.700 4.480 4.288 4.816 0.116 10 0 "[ . 1 . 2]" 2
556 1 22 ASN HA 1 22 ASN HB2 . . 3.100 3.033 3.017 3.044 . 0 0 "[ . 1 . 2]" 2
557 1 22 ASN HA 1 22 ASN HB3 . . 2.700 2.430 2.402 2.456 . 0 0 "[ . 1 . 2]" 2
558 1 22 ASN HA 1 22 ASN QD . . 4.600 3.752 3.652 3.825 . 0 0 "[ . 1 . 2]" 2
559 1 22 ASN HA 1 23 GLY H . . 3.400 3.431 3.163 3.458 0.058 20 0 "[ . 1 . 2]" 2
560 1 22 ASN HA 1 23 GLY HA2 . . 4.800 4.829 4.803 4.845 0.045 16 0 "[ . 1 . 2]" 2
561 1 22 ASN HA 1 23 GLY HA3 . . 4.600 4.609 4.409 4.631 0.031 17 0 "[ . 1 . 2]" 2
562 1 22 ASN HA 1 24 VAL H . . 5.200 5.116 4.829 5.204 0.004 20 0 "[ . 1 . 2]" 2
563 1 22 ASN HB2 1 22 ASN QD . . 2.800 2.309 2.258 2.357 . 0 0 "[ . 1 . 2]" 2
564 1 22 ASN HB2 1 23 GLY H . . 4.800 2.938 2.715 3.895 . 0 0 "[ . 1 . 2]" 2
565 1 22 ASN HB2 1 24 VAL H . . 4.700 3.414 3.156 3.721 . 0 0 "[ . 1 . 2]" 2
566 1 22 ASN HB2 1 37 TRP HD1 . . 4.000 3.536 3.026 3.794 . 0 0 "[ . 1 . 2]" 2
567 1 22 ASN HB2 1 37 TRP HE1 . . 2.900 2.090 1.964 2.587 . 0 0 "[ . 1 . 2]" 2
568 1 22 ASN HB3 1 23 GLY H . . 4.900 4.012 3.865 4.535 . 0 0 "[ . 1 . 2]" 2
569 1 22 ASN HB3 1 24 VAL H . . 6.000 4.841 4.589 4.981 . 0 0 "[ . 1 . 2]" 2
570 1 22 ASN HB3 1 37 TRP HD1 . . 3.600 3.457 2.923 3.620 0.020 1 0 "[ . 1 . 2]" 2
571 1 22 ASN HB3 1 37 TRP HE1 . . 4.100 2.742 2.244 3.499 . 0 0 "[ . 1 . 2]" 2
572 1 22 ASN QD 1 24 VAL MG1 . . 7.000 5.587 5.425 5.736 . 0 0 "[ . 1 . 2]" 2
573 1 22 ASN QD 1 37 TRP HE1 . . 5.800 3.662 3.236 4.007 . 0 0 "[ . 1 . 2]" 2
574 1 22 ASN QD 1 40 PRO HB2 . . 4.000 3.679 2.893 4.334 0.334 16 0 "[ . 1 . 2]" 2
575 1 22 ASN QD 1 40 PRO HB3 . . 4.400 2.643 2.115 3.641 . 0 0 "[ . 1 . 2]" 2
576 1 22 ASN QD 1 40 PRO HG3 . . 4.400 3.567 2.267 5.066 0.666 2 1 "[ + . 1 . 2]" 2
577 1 23 GLY H 1 23 GLY HA2 . . 2.500 2.477 2.283 2.511 0.011 9 0 "[ . 1 . 2]" 2
578 1 23 GLY H 1 23 GLY HA3 . . 3.000 3.001 2.935 3.009 0.009 5 0 "[ . 1 . 2]" 2
579 1 23 GLY H 1 24 VAL H . . 3.100 2.023 1.968 2.611 . 0 0 "[ . 1 . 2]" 2
580 1 23 GLY H 1 24 VAL HB . . 5.400 4.127 4.005 4.732 . 0 0 "[ . 1 . 2]" 2
581 1 23 GLY H 1 24 VAL MG1 . . 7.000 5.352 5.275 5.818 . 0 0 "[ . 1 . 2]" 2
582 1 23 GLY H 1 24 VAL MG2 . . 5.500 3.985 3.825 4.403 . 0 0 "[ . 1 . 2]" 2
583 1 23 GLY HA2 1 24 VAL H . . 3.300 3.241 3.154 3.332 0.032 18 0 "[ . 1 . 2]" 2
584 1 23 GLY HA2 1 24 VAL HA . . 4.700 4.693 4.676 4.724 0.024 17 0 "[ . 1 . 2]" 2
585 1 23 GLY HA2 1 24 VAL MG2 . . 6.500 4.576 4.493 4.655 . 0 0 "[ . 1 . 2]" 2
586 1 23 GLY HA3 1 24 VAL H . . 3.500 3.462 3.357 3.511 0.011 16 0 "[ . 1 . 2]" 2
587 1 23 GLY HA3 1 24 VAL HA . . 4.800 4.571 4.465 4.633 . 0 0 "[ . 1 . 2]" 2
588 1 23 GLY HA3 1 24 VAL MG2 . . 5.000 3.792 3.726 3.882 . 0 0 "[ . 1 . 2]" 2
589 1 24 VAL H 1 24 VAL HB . . 2.800 2.336 2.270 2.376 . 0 0 "[ . 1 . 2]" 2
590 1 24 VAL H 1 24 VAL MG1 . . 4.800 3.722 3.680 3.754 . 0 0 "[ . 1 . 2]" 2
591 1 24 VAL H 1 24 VAL MG2 . . 3.700 2.718 2.508 2.858 . 0 0 "[ . 1 . 2]" 2
592 1 24 VAL H 1 25 ASN H . . 4.500 4.296 4.229 4.360 . 0 0 "[ . 1 . 2]" 2
593 1 24 VAL H 1 37 TRP HE1 . . 5.400 4.015 3.529 4.540 . 0 0 "[ . 1 . 2]" 2
594 1 24 VAL HA 1 24 VAL MG1 . . 3.300 2.453 2.405 2.538 . 0 0 "[ . 1 . 2]" 2
595 1 24 VAL HA 1 24 VAL MG2 . . 3.300 2.312 2.263 2.343 . 0 0 "[ . 1 . 2]" 2
596 1 24 VAL HA 1 25 ASN H . . 2.400 2.161 2.141 2.180 . 0 0 "[ . 1 . 2]" 2
597 1 24 VAL HA 1 25 ASN HA . . 4.700 4.431 4.417 4.455 . 0 0 "[ . 1 . 2]" 2
598 1 24 VAL HA 1 25 ASN HB2 . . 4.500 4.373 4.348 4.394 . 0 0 "[ . 1 . 2]" 2
599 1 24 VAL HA 1 28 THR HB . . 4.700 4.540 4.404 4.640 . 0 0 "[ . 1 . 2]" 2
600 1 24 VAL HA 1 28 THR MG . . 5.100 3.803 3.577 3.917 . 0 0 "[ . 1 . 2]" 2
601 1 24 VAL HA 1 28 THR HG1 . . 4.400 4.419 4.413 4.435 0.035 2 0 "[ . 1 . 2]" 2
602 1 24 VAL HB 1 25 ASN H . . 4.400 4.454 4.443 4.466 0.066 19 0 "[ . 1 . 2]" 2
603 1 24 VAL HB 1 33 ILE MG . . 6.400 4.459 4.379 4.586 . 0 0 "[ . 1 . 2]" 2
604 1 24 VAL HB 1 33 ILE MD . . 6.000 4.245 3.979 4.466 . 0 0 "[ . 1 . 2]" 2
605 1 24 VAL HB 1 37 TRP HD1 . . 5.300 4.497 4.158 4.705 . 0 0 "[ . 1 . 2]" 2
606 1 24 VAL HB 1 37 TRP HE1 . . 4.000 3.536 3.115 3.793 . 0 0 "[ . 1 . 2]" 2
607 1 24 VAL MG1 1 25 ASN H . . 4.200 3.154 3.063 3.300 . 0 0 "[ . 1 . 2]" 2
608 1 24 VAL MG1 1 25 ASN HB2 . . 6.100 4.507 4.416 4.684 . 0 0 "[ . 1 . 2]" 2
609 1 24 VAL MG1 1 27 GLY H . . 7.000 5.273 5.088 5.376 . 0 0 "[ . 1 . 2]" 2
610 1 24 VAL MG1 1 28 THR H . . 4.700 3.717 3.639 3.902 . 0 0 "[ . 1 . 2]" 2
611 1 24 VAL MG1 1 28 THR HB . . 3.300 2.153 2.104 2.280 . 0 0 "[ . 1 . 2]" 2
612 1 24 VAL MG1 1 28 THR MG . . 4.600 2.240 2.167 2.399 . 0 0 "[ . 1 . 2]" 2
613 1 24 VAL MG1 1 28 THR HG1 . . 4.300 3.063 2.946 3.236 . 0 0 "[ . 1 . 2]" 2
614 1 24 VAL MG1 1 30 PHE QD . . 9.000 5.669 4.789 5.938 . 0 0 "[ . 1 . 2]" 2
615 1 24 VAL MG1 1 33 ILE HA . . 4.800 3.608 3.380 3.771 . 0 0 "[ . 1 . 2]" 2
616 1 24 VAL MG1 1 33 ILE MG . . 5.200 3.092 2.988 3.251 . 0 0 "[ . 1 . 2]" 2
617 1 24 VAL MG1 1 33 ILE HG12 . . 3.500 2.403 2.318 2.561 . 0 0 "[ . 1 . 2]" 2
618 1 24 VAL MG1 1 33 ILE HG13 . . 4.600 3.655 3.577 3.835 . 0 0 "[ . 1 . 2]" 2
619 1 24 VAL MG1 1 33 ILE MD . . 5.000 2.454 2.306 2.559 . 0 0 "[ . 1 . 2]" 2
620 1 24 VAL MG1 1 34 PRO HD2 . . 5.600 4.250 4.012 4.456 . 0 0 "[ . 1 . 2]" 2
621 1 24 VAL MG1 1 34 PRO HD3 . . 5.900 4.194 3.873 4.448 . 0 0 "[ . 1 . 2]" 2
622 1 24 VAL MG1 1 37 TRP HD1 . . 6.600 5.015 4.684 5.167 . 0 0 "[ . 1 . 2]" 2
623 1 24 VAL MG2 1 25 ASN H . . 5.700 4.065 3.970 4.133 . 0 0 "[ . 1 . 2]" 2
624 1 24 VAL MG2 1 28 THR MG . . 5.600 3.386 3.200 3.530 . 0 0 "[ . 1 . 2]" 2
625 1 24 VAL MG2 1 33 ILE HA . . 4.800 3.315 3.131 3.409 . 0 0 "[ . 1 . 2]" 2
626 1 24 VAL MG2 1 33 ILE MG . . 4.500 2.149 2.057 2.225 . 0 0 "[ . 1 . 2]" 2
627 1 24 VAL MG2 1 33 ILE HG12 . . 4.100 3.021 2.786 3.179 . 0 0 "[ . 1 . 2]" 2
628 1 24 VAL MG2 1 33 ILE HG13 . . 6.000 4.407 4.177 4.578 . 0 0 "[ . 1 . 2]" 2
629 1 24 VAL MG2 1 33 ILE MD . . 5.300 2.743 2.430 2.940 . 0 0 "[ . 1 . 2]" 2
630 1 24 VAL MG2 1 34 PRO QG . . 6.900 3.491 3.376 3.719 . 0 0 "[ . 1 . 2]" 2
631 1 24 VAL MG2 1 34 PRO HD2 . . 3.800 2.632 2.484 2.801 . 0 0 "[ . 1 . 2]" 2
632 1 24 VAL MG2 1 34 PRO HD3 . . 4.400 3.145 3.045 3.367 . 0 0 "[ . 1 . 2]" 2
633 1 24 VAL MG2 1 37 TRP HB2 . . 6.000 3.154 2.982 3.282 . 0 0 "[ . 1 . 2]" 2
634 1 24 VAL MG2 1 37 TRP HB3 . . 6.900 3.769 3.640 3.982 . 0 0 "[ . 1 . 2]" 2
635 1 24 VAL MG2 1 37 TRP HD1 . . 3.900 2.379 2.164 2.508 . 0 0 "[ . 1 . 2]" 2
636 1 24 VAL MG2 1 37 TRP HE1 . . 4.200 2.778 2.520 2.991 . 0 0 "[ . 1 . 2]" 2
637 1 25 ASN H 1 25 ASN HB2 . . 2.700 2.252 2.242 2.261 . 0 0 "[ . 1 . 2]" 2
638 1 25 ASN H 1 25 ASN HB3 . . 3.500 3.530 3.526 3.533 0.033 6 0 "[ . 1 . 2]" 2
639 1 25 ASN H 1 25 ASN HD21 . . 3.800 2.140 2.116 2.175 . 0 0 "[ . 1 . 2]" 2
640 1 25 ASN H 1 25 ASN HD22 . . 3.800 3.824 3.811 3.834 0.034 20 0 "[ . 1 . 2]" 2
641 1 25 ASN H 1 26 PRO QD . . 5.700 4.488 4.472 4.498 . 0 0 "[ . 1 . 2]" 2
642 1 25 ASN H 1 28 THR HB . . 4.400 4.338 4.194 4.422 0.022 2 0 "[ . 1 . 2]" 2
643 1 25 ASN H 1 28 THR MG . . 5.500 4.013 3.851 4.093 . 0 0 "[ . 1 . 2]" 2
644 1 25 ASN H 1 28 THR HG1 . . 3.600 3.181 3.086 3.232 . 0 0 "[ . 1 . 2]" 2
645 1 25 ASN HA 1 25 ASN HB3 . . 2.800 2.648 2.630 2.661 . 0 0 "[ . 1 . 2]" 2
646 1 25 ASN HA 1 25 ASN HD21 . . 3.300 3.160 2.982 3.301 0.001 12 0 "[ . 1 . 2]" 2
647 1 25 ASN HA 1 26 PRO QD . . 4.200 2.193 2.169 2.209 . 0 0 "[ . 1 . 2]" 2
648 1 25 ASN HB2 1 25 ASN HD21 . . 2.700 2.638 2.560 2.704 0.004 17 0 "[ . 1 . 2]" 2
649 1 25 ASN HB2 1 25 ASN HD22 . . 3.700 3.685 3.659 3.705 0.005 20 0 "[ . 1 . 2]" 2
650 1 25 ASN HB2 1 26 PRO QD . . 4.500 3.809 3.776 3.851 . 0 0 "[ . 1 . 2]" 2
651 1 25 ASN HB2 1 28 THR MG . . 7.000 4.596 4.477 4.682 . 0 0 "[ . 1 . 2]" 2
652 1 25 ASN HB2 1 28 THR HG1 . . 3.400 2.918 2.756 3.029 . 0 0 "[ . 1 . 2]" 2
653 1 25 ASN HB3 1 25 ASN HD21 . . 3.600 3.646 3.634 3.662 0.062 6 0 "[ . 1 . 2]" 2
654 1 25 ASN HB3 1 25 ASN HD22 . . 4.200 4.130 4.125 4.134 . 0 0 "[ . 1 . 2]" 2
655 1 25 ASN HB3 1 26 PRO QD . . 3.700 2.402 2.355 2.458 . 0 0 "[ . 1 . 2]" 2
656 1 25 ASN HB3 1 28 THR HG1 . . 4.100 3.624 3.485 3.756 . 0 0 "[ . 1 . 2]" 2
657 1 25 ASN HD21 1 26 PRO QD . . 7.000 4.647 4.526 4.740 . 0 0 "[ . 1 . 2]" 2
658 1 26 PRO HA 1 26 PRO HB3 . . 2.600 2.252 2.242 2.261 . 0 0 "[ . 1 . 2]" 2
659 1 26 PRO HA 1 26 PRO HG2 . . 4.100 3.920 3.900 3.946 . 0 0 "[ . 1 . 2]" 2
660 1 26 PRO HA 1 26 PRO HG3 . . 3.900 3.956 3.922 3.982 0.082 16 0 "[ . 1 . 2]" 2
661 1 26 PRO HA 1 27 GLY H . . 2.400 2.166 2.138 2.182 . 0 0 "[ . 1 . 2]" 2
662 1 26 PRO HA 1 27 GLY HA2 . . 4.600 4.381 4.351 4.407 . 0 0 "[ . 1 . 2]" 2
663 1 26 PRO HA 1 27 GLY HA3 . . 4.600 4.525 4.517 4.534 . 0 0 "[ . 1 . 2]" 2
664 1 26 PRO HA 1 28 THR H . . 3.500 3.277 3.233 3.338 . 0 0 "[ . 1 . 2]" 2
665 1 26 PRO HB2 1 26 PRO HG2 . . 2.600 2.352 2.337 2.363 . 0 0 "[ . 1 . 2]" 2
666 1 26 PRO HB2 1 26 PRO HG3 . . 2.700 2.744 2.732 2.770 0.070 20 0 "[ . 1 . 2]" 2
667 1 26 PRO HB2 1 27 GLY H . . 3.900 3.107 3.049 3.201 . 0 0 "[ . 1 . 2]" 2
668 1 26 PRO HB2 1 27 GLY HA2 . . 6.000 4.640 4.577 4.683 . 0 0 "[ . 1 . 2]" 2
669 1 26 PRO HB2 1 27 GLY HA3 . . 6.000 4.247 4.209 4.273 . 0 0 "[ . 1 . 2]" 2
670 1 26 PRO HB3 1 26 PRO HG2 . . 3.100 3.004 2.994 3.013 . 0 0 "[ . 1 . 2]" 2
671 1 26 PRO HB3 1 27 GLY H . . 3.500 3.528 3.513 3.549 0.049 9 0 "[ . 1 . 2]" 2
672 1 26 PRO HB3 1 27 GLY HA2 . . 6.000 5.588 5.557 5.620 . 0 0 "[ . 1 . 2]" 2
673 1 26 PRO HG2 1 27 GLY H . . 5.500 4.891 4.831 5.005 . 0 0 "[ . 1 . 2]" 2
674 1 27 GLY H 1 27 GLY HA2 . . 2.500 2.282 2.266 2.302 . 0 0 "[ . 1 . 2]" 2
675 1 27 GLY H 1 27 GLY HA3 . . 3.100 2.911 2.893 2.922 . 0 0 "[ . 1 . 2]" 2
676 1 27 GLY H 1 28 THR H . . 2.900 2.640 2.588 2.699 . 0 0 "[ . 1 . 2]" 2
677 1 27 GLY H 1 28 THR HG1 . . 5.400 4.549 4.472 4.634 . 0 0 "[ . 1 . 2]" 2
678 1 27 GLY HA2 1 28 THR H . . 3.300 3.233 3.179 3.271 . 0 0 "[ . 1 . 2]" 2
679 1 27 GLY HA2 1 28 THR HA . . 4.600 4.623 4.603 4.636 0.036 19 0 "[ . 1 . 2]" 2
680 1 27 GLY HA3 1 28 THR H . . 3.700 3.619 3.605 3.636 . 0 0 "[ . 1 . 2]" 2
681 1 27 GLY HA3 1 28 THR HA . . 4.500 4.525 4.509 4.545 0.045 3 0 "[ . 1 . 2]" 2
682 1 28 THR H 1 28 THR HB . . 2.800 2.384 2.334 2.404 . 0 0 "[ . 1 . 2]" 2
683 1 28 THR H 1 28 THR MG . . 4.300 3.713 3.699 3.723 . 0 0 "[ . 1 . 2]" 2
684 1 28 THR H 1 28 THR HG1 . . 3.000 2.534 2.483 2.625 . 0 0 "[ . 1 . 2]" 2
685 1 28 THR H 1 29 ASP H . . 4.600 4.338 4.243 4.412 . 0 0 "[ . 1 . 2]" 2
686 1 28 THR HA 1 28 THR MG . . 3.300 2.333 2.312 2.384 . 0 0 "[ . 1 . 2]" 2
687 1 28 THR HA 1 28 THR HG1 . . 3.800 3.128 3.065 3.254 . 0 0 "[ . 1 . 2]" 2
688 1 28 THR HA 1 29 ASP H . . 2.400 2.103 2.060 2.146 . 0 0 "[ . 1 . 2]" 2
689 1 28 THR HA 1 29 ASP HA . . 5.800 4.440 4.415 4.474 . 0 0 "[ . 1 . 2]" 2
690 1 28 THR HA 1 29 ASP HB2 . . 4.300 4.375 4.350 4.397 0.097 2 0 "[ . 1 . 2]" 2
691 1 28 THR HA 1 29 ASP HB3 . . 5.200 4.623 4.451 4.766 . 0 0 "[ . 1 . 2]" 2
692 1 28 THR HA 1 32 ASP HB2 . . 5.000 3.763 3.559 3.961 . 0 0 "[ . 1 . 2]" 2
693 1 28 THR HB 1 28 THR HG1 . . 2.500 2.203 2.163 2.219 . 0 0 "[ . 1 . 2]" 2
694 1 28 THR HB 1 29 ASP H . . 4.300 4.319 4.300 4.337 0.037 2 0 "[ . 1 . 2]" 2
695 1 28 THR HB 1 33 ILE HG12 . . 3.800 3.537 3.410 3.642 . 0 0 "[ . 1 . 2]" 2
696 1 28 THR MG 1 29 ASP H . . 3.600 2.925 2.833 3.005 . 0 0 "[ . 1 . 2]" 2
697 1 28 THR MG 1 29 ASP HA . . 5.800 4.238 4.133 4.310 . 0 0 "[ . 1 . 2]" 2
698 1 28 THR MG 1 29 ASP HB2 . . 5.700 4.654 4.575 4.755 . 0 0 "[ . 1 . 2]" 2
699 1 28 THR MG 1 29 ASP HB3 . . 5.500 4.073 3.974 4.231 . 0 0 "[ . 1 . 2]" 2
700 1 28 THR MG 1 30 PHE HA . . 5.400 4.018 3.847 4.163 . 0 0 "[ . 1 . 2]" 2
701 1 28 THR MG 1 32 ASP H . . 4.900 3.783 3.680 3.896 . 0 0 "[ . 1 . 2]" 2
702 1 28 THR MG 1 32 ASP HB2 . . 3.300 2.485 2.213 2.651 . 0 0 "[ . 1 . 2]" 2
703 1 28 THR MG 1 32 ASP HB3 . . 3.700 3.054 2.838 3.127 . 0 0 "[ . 1 . 2]" 2
704 1 28 THR MG 1 33 ILE H . . 3.700 3.039 2.938 3.084 . 0 0 "[ . 1 . 2]" 2
705 1 28 THR MG 1 33 ILE HA . . 3.300 2.584 2.479 2.669 . 0 0 "[ . 1 . 2]" 2
706 1 28 THR MG 1 34 PRO HD2 . . 5.200 4.295 4.164 4.350 . 0 0 "[ . 1 . 2]" 2
707 1 28 THR MG 1 34 PRO HD3 . . 4.700 3.440 3.208 3.597 . 0 0 "[ . 1 . 2]" 2
708 1 28 THR HG1 1 29 ASP H . . 6.000 5.106 5.059 5.203 . 0 0 "[ . 1 . 2]" 2
709 1 29 ASP H 1 29 ASP HA . . 3.100 2.856 2.836 2.887 . 0 0 "[ . 1 . 2]" 2
710 1 29 ASP H 1 29 ASP HB2 . . 2.700 2.329 2.298 2.361 . 0 0 "[ . 1 . 2]" 2
711 1 29 ASP H 1 29 ASP HB3 . . 2.800 2.630 2.517 2.692 . 0 0 "[ . 1 . 2]" 2
712 1 29 ASP H 1 30 PHE H . . 4.700 4.556 4.534 4.574 . 0 0 "[ . 1 . 2]" 2
713 1 29 ASP H 1 31 LYS H . . 6.000 5.070 4.965 5.112 . 0 0 "[ . 1 . 2]" 2
714 1 29 ASP H 1 31 LYS HG2 . . 6.000 4.913 4.788 5.033 . 0 0 "[ . 1 . 2]" 2
715 1 29 ASP H 1 32 ASP H . . 4.500 4.106 3.929 4.259 . 0 0 "[ . 1 . 2]" 2
716 1 29 ASP H 1 32 ASP HB2 . . 3.500 2.868 2.712 3.102 . 0 0 "[ . 1 . 2]" 2
717 1 29 ASP H 1 32 ASP HB3 . . 4.800 4.292 4.120 4.553 . 0 0 "[ . 1 . 2]" 2
718 1 29 ASP HA 1 29 ASP HB2 . . 2.800 2.562 2.517 2.589 . 0 0 "[ . 1 . 2]" 2
719 1 29 ASP HA 1 29 ASP HB3 . . 3.000 3.030 3.022 3.037 0.037 7 0 "[ . 1 . 2]" 2
720 1 29 ASP HA 1 30 PHE H . . 2.600 2.166 2.150 2.191 . 0 0 "[ . 1 . 2]" 2
721 1 29 ASP HA 1 30 PHE HA . . 4.400 4.423 4.398 4.441 0.041 12 0 "[ . 1 . 2]" 2
722 1 29 ASP HA 1 31 LYS H . . 4.100 3.861 3.816 3.950 . 0 0 "[ . 1 . 2]" 2
723 1 29 ASP HB2 1 30 PHE H . . 4.400 4.229 4.130 4.299 . 0 0 "[ . 1 . 2]" 2
724 1 29 ASP HB2 1 31 LYS H . . 4.100 4.230 4.208 4.270 0.170 20 0 "[ . 1 . 2]" 2
725 1 29 ASP HB2 1 31 LYS HG2 . . 3.900 3.653 3.558 3.769 . 0 0 "[ . 1 . 2]" 2
726 1 29 ASP HB2 1 31 LYS HG3 . . 6.000 4.929 4.768 5.114 . 0 0 "[ . 1 . 2]" 2
727 1 29 ASP HB2 1 32 ASP H . . 4.900 4.063 3.916 4.205 . 0 0 "[ . 1 . 2]" 2
728 1 29 ASP HB3 1 30 PHE H . . 4.100 3.919 3.711 4.008 . 0 0 "[ . 1 . 2]" 2
729 1 29 ASP HB3 1 31 LYS H . . 3.500 3.004 2.834 3.103 . 0 0 "[ . 1 . 2]" 2
730 1 29 ASP HB3 1 31 LYS QB . . 7.000 4.388 4.233 4.518 . 0 0 "[ . 1 . 2]" 2
731 1 29 ASP HB3 1 31 LYS HG2 . . 3.200 2.305 2.166 2.441 . 0 0 "[ . 1 . 2]" 2
732 1 29 ASP HB3 1 31 LYS HG3 . . 4.500 3.471 3.267 3.660 . 0 0 "[ . 1 . 2]" 2
733 1 29 ASP HB3 1 31 LYS QE . . 5.400 3.005 2.807 3.327 . 0 0 "[ . 1 . 2]" 2
734 1 29 ASP HB3 1 32 ASP H . . 3.400 2.343 2.180 2.501 . 0 0 "[ . 1 . 2]" 2
735 1 30 PHE H 1 30 PHE HA . . 3.000 2.790 2.745 2.837 . 0 0 "[ . 1 . 2]" 2
736 1 30 PHE H 1 30 PHE HB2 . . 2.600 2.147 2.077 2.207 . 0 0 "[ . 1 . 2]" 2
737 1 30 PHE H 1 30 PHE HB3 . . 2.900 2.854 2.624 2.916 0.016 3 0 "[ . 1 . 2]" 2
738 1 30 PHE H 1 31 LYS H . . 3.300 2.885 2.797 2.985 . 0 0 "[ . 1 . 2]" 2
739 1 30 PHE H 1 31 LYS QB . . 7.000 5.044 4.902 5.156 . 0 0 "[ . 1 . 2]" 2
740 1 30 PHE H 1 31 LYS HG2 . . 5.800 4.528 4.390 4.651 . 0 0 "[ . 1 . 2]" 2
741 1 30 PHE H 1 32 ASP H . . 4.800 4.303 4.219 4.519 . 0 0 "[ . 1 . 2]" 2
742 1 30 PHE H 1 33 ILE HG13 . . 4.300 4.075 3.959 4.208 . 0 0 "[ . 1 . 2]" 2
743 1 30 PHE H 1 33 ILE MD . . 5.800 4.016 3.939 4.220 . 0 0 "[ . 1 . 2]" 2
744 1 30 PHE HA 1 30 PHE HB2 . . 2.600 2.623 2.584 2.651 0.051 14 0 "[ . 1 . 2]" 2
745 1 30 PHE HA 1 30 PHE HB3 . . 3.100 3.038 3.021 3.074 . 0 0 "[ . 1 . 2]" 2
746 1 30 PHE HA 1 30 PHE QD . . 3.900 2.897 2.203 3.116 . 0 0 "[ . 1 . 2]" 2
747 1 30 PHE HA 1 31 LYS H . . 3.900 3.613 3.554 3.652 . 0 0 "[ . 1 . 2]" 2
748 1 30 PHE HA 1 31 LYS HA . . 5.800 4.705 4.678 4.742 . 0 0 "[ . 1 . 2]" 2
749 1 30 PHE HA 1 32 ASP H . . 4.600 4.266 4.145 4.448 . 0 0 "[ . 1 . 2]" 2
750 1 30 PHE HA 1 33 ILE H . . 3.500 3.339 3.288 3.402 . 0 0 "[ . 1 . 2]" 2
751 1 30 PHE HA 1 33 ILE HB . . 3.400 3.333 3.193 3.409 0.009 20 0 "[ . 1 . 2]" 2
752 1 30 PHE HA 1 33 ILE MG . . 4.700 3.987 3.929 4.024 . 0 0 "[ . 1 . 2]" 2
753 1 30 PHE HA 1 33 ILE HG12 . . 3.400 3.532 3.513 3.565 0.165 19 0 "[ . 1 . 2]" 2
754 1 30 PHE HA 1 33 ILE HG13 . . 2.400 2.066 2.042 2.086 . 0 0 "[ . 1 . 2]" 2
755 1 30 PHE HA 1 33 ILE MD . . 3.300 2.036 2.005 2.124 . 0 0 "[ . 1 . 2]" 2
756 1 30 PHE HA 1 46 LYS HE3 . . 4.300 3.987 3.754 4.149 . 0 0 "[ . 1 . 2]" 2
757 1 30 PHE HB2 1 31 LYS H . . 3.900 3.847 3.747 3.952 0.052 20 0 "[ . 1 . 2]" 2
758 1 30 PHE HB2 1 33 ILE MD . . 5.200 3.727 3.615 3.834 . 0 0 "[ . 1 . 2]" 2
759 1 30 PHE HB3 1 31 LYS H . . 3.100 2.933 2.812 3.020 . 0 0 "[ . 1 . 2]" 2
760 1 30 PHE HB3 1 31 LYS HA . . 4.500 4.048 3.909 4.144 . 0 0 "[ . 1 . 2]" 2
761 1 30 PHE HB3 1 32 ASP H . . 5.700 5.056 4.926 5.258 . 0 0 "[ . 1 . 2]" 2
762 1 30 PHE HB3 1 33 ILE MD . . 6.200 4.348 4.290 4.487 . 0 0 "[ . 1 . 2]" 2
763 1 30 PHE QD 1 31 LYS H . . 6.000 4.293 4.156 4.532 . 0 0 "[ . 1 . 2]" 2
764 1 30 PHE QD 1 31 LYS HA . . 5.800 3.656 3.378 4.253 . 0 0 "[ . 1 . 2]" 2
765 1 30 PHE QD 1 31 LYS QB . . 9.000 4.667 4.468 5.090 . 0 0 "[ . 1 . 2]" 2
766 1 30 PHE QD 1 31 LYS HG2 . . 7.500 6.039 5.915 6.241 . 0 0 "[ . 1 . 2]" 2
767 1 30 PHE QD 1 31 LYS HG3 . . 8.000 6.783 6.604 7.144 . 0 0 "[ . 1 . 2]" 2
768 1 30 PHE QD 1 32 ASP H . . 8.000 5.567 5.318 5.977 . 0 0 "[ . 1 . 2]" 2
769 1 30 PHE QD 1 33 ILE HB . . 7.200 4.201 3.182 4.569 . 0 0 "[ . 1 . 2]" 2
770 1 30 PHE QD 1 33 ILE MG . . 9.000 4.536 3.863 4.823 . 0 0 "[ . 1 . 2]" 2
771 1 30 PHE QD 1 33 ILE HG12 . . 7.400 5.379 4.558 5.646 . 0 0 "[ . 1 . 2]" 2
772 1 30 PHE QD 1 33 ILE HG13 . . 6.600 4.351 3.665 4.577 . 0 0 "[ . 1 . 2]" 2
773 1 30 PHE QD 1 33 ILE MD . . 6.000 2.935 2.000 3.214 . 0 0 "[ . 1 . 2]" 2
774 1 30 PHE QD 1 37 TRP HH2 . . 5.900 5.489 4.911 5.778 . 0 0 "[ . 1 . 2]" 2
775 1 30 PHE QD 1 46 LYS QB . . 9.000 4.300 3.828 5.010 . 0 0 "[ . 1 . 2]" 2
776 1 30 PHE QD 1 46 LYS HE2 . . 4.800 3.183 2.402 4.321 . 0 0 "[ . 1 . 2]" 2
777 1 30 PHE QD 1 46 LYS HE3 . . 6.900 3.269 2.252 4.123 . 0 0 "[ . 1 . 2]" 2
778 1 30 PHE QD 1 46 LYS QZ . . 6.900 3.258 2.825 4.109 . 0 0 "[ . 1 . 2]" 2
779 1 30 PHE QE 1 33 ILE MD . . 8.200 3.350 2.788 3.611 . 0 0 "[ . 1 . 2]" 2
780 1 30 PHE QE 1 37 TRP HZ3 . . 7.200 3.537 2.832 3.850 . 0 0 "[ . 1 . 2]" 2
781 1 30 PHE QE 1 37 TRP HH2 . . 8.000 3.701 3.069 4.466 . 0 0 "[ . 1 . 2]" 2
782 1 30 PHE QE 1 46 LYS QB . . 7.300 2.588 2.150 3.550 . 0 0 "[ . 1 . 2]" 2
783 1 30 PHE QE 1 46 LYS QG . . 8.300 3.517 2.216 4.955 . 0 0 "[ . 1 . 2]" 2
784 1 30 PHE QE 1 46 LYS HE2 . . 6.300 2.609 2.264 4.144 . 0 0 "[ . 1 . 2]" 2
785 1 30 PHE QE 1 46 LYS HE3 . . 8.000 3.053 2.592 4.097 . 0 0 "[ . 1 . 2]" 2
786 1 30 PHE QE 1 49 PHE HB3 . . 6.000 3.304 2.455 3.787 . 0 0 "[ . 1 . 2]" 2
787 1 30 PHE HZ 1 46 LYS HA . . 3.500 3.316 2.785 3.554 0.054 12 0 "[ . 1 . 2]" 2
788 1 30 PHE HZ 1 46 LYS QB . . 4.400 3.417 2.813 3.958 . 0 0 "[ . 1 . 2]" 2
789 1 30 PHE HZ 1 46 LYS QG . . 5.700 4.513 3.185 5.125 . 0 0 "[ . 1 . 2]" 2
790 1 30 PHE HZ 1 46 LYS HE2 . . 4.500 4.588 4.551 4.661 0.161 19 0 "[ . 1 . 2]" 2
791 1 30 PHE HZ 1 49 PHE HB3 . . 2.900 2.962 2.726 3.124 0.224 14 0 "[ . 1 . 2]" 2
792 1 31 LYS H 1 31 LYS HA . . 3.000 2.919 2.909 2.930 . 0 0 "[ . 1 . 2]" 2
793 1 31 LYS H 1 31 LYS HG2 . . 2.800 2.110 2.066 2.153 . 0 0 "[ . 1 . 2]" 2
794 1 31 LYS H 1 31 LYS HG3 . . 3.400 3.479 3.418 3.513 0.113 20 0 "[ . 1 . 2]" 2
795 1 31 LYS H 1 31 LYS QD . . 4.200 3.521 3.299 3.723 . 0 0 "[ . 1 . 2]" 2
796 1 31 LYS H 1 31 LYS QE . . 6.800 4.176 4.000 4.563 . 0 0 "[ . 1 . 2]" 2
797 1 31 LYS H 1 32 ASP H . . 3.100 2.455 2.384 2.519 . 0 0 "[ . 1 . 2]" 2
798 1 31 LYS H 1 32 ASP HB2 . . 6.000 4.549 4.426 4.725 . 0 0 "[ . 1 . 2]" 2
799 1 31 LYS H 1 33 ILE H . . 4.500 3.938 3.889 3.985 . 0 0 "[ . 1 . 2]" 2
800 1 31 LYS H 1 33 ILE HG13 . . 4.700 4.409 4.362 4.487 . 0 0 "[ . 1 . 2]" 2
801 1 31 LYS HA 1 31 LYS HG2 . . 3.600 3.632 3.611 3.659 0.059 17 0 "[ . 1 . 2]" 2
802 1 31 LYS HA 1 31 LYS HG3 . . 4.000 3.660 3.603 3.730 . 0 0 "[ . 1 . 2]" 2
803 1 31 LYS HA 1 31 LYS QD . . 4.600 4.179 4.152 4.192 . 0 0 "[ . 1 . 2]" 2
804 1 31 LYS HA 1 32 ASP H . . 3.700 3.525 3.503 3.566 . 0 0 "[ . 1 . 2]" 2
805 1 31 LYS HA 1 32 ASP HA . . 5.800 4.799 4.766 4.848 . 0 0 "[ . 1 . 2]" 2
806 1 31 LYS HA 1 33 ILE H . . 4.000 4.062 4.024 4.088 0.088 10 0 "[ . 1 . 2]" 2
807 1 31 LYS HA 1 46 LYS HE2 . . 4.600 4.533 4.391 4.625 0.025 6 0 "[ . 1 . 2]" 2
808 1 31 LYS HA 1 46 LYS HE3 . . 5.000 4.718 4.456 4.887 . 0 0 "[ . 1 . 2]" 2
809 1 31 LYS HA 1 46 LYS QZ . . 4.600 2.625 2.417 2.841 . 0 0 "[ . 1 . 2]" 2
810 1 31 LYS QB 1 32 ASP H . . 5.800 3.576 3.494 3.625 . 0 0 "[ . 1 . 2]" 2
811 1 31 LYS HG2 1 32 ASP H . . 3.600 2.297 2.092 2.536 . 0 0 "[ . 1 . 2]" 2
812 1 31 LYS HG2 1 32 ASP HB2 . . 6.000 4.044 3.752 4.481 . 0 0 "[ . 1 . 2]" 2
813 1 31 LYS HG2 1 32 ASP HB3 . . 6.000 5.125 4.905 5.343 . 0 0 "[ . 1 . 2]" 2
814 1 31 LYS HG3 1 32 ASP H . . 3.900 2.734 2.588 2.834 . 0 0 "[ . 1 . 2]" 2
815 1 31 LYS HG3 1 33 ILE H . . 4.900 4.935 4.897 4.995 0.095 19 0 "[ . 1 . 2]" 2
816 1 31 LYS QE 1 32 ASP H . . 7.000 4.072 3.739 4.463 . 0 0 "[ . 1 . 2]" 2
817 1 32 ASP H 1 32 ASP HB2 . . 2.800 2.377 2.313 2.493 . 0 0 "[ . 1 . 2]" 2
818 1 32 ASP H 1 32 ASP HB3 . . 3.600 3.560 3.528 3.593 . 0 0 "[ . 1 . 2]" 2
819 1 32 ASP H 1 33 ILE H . . 2.700 2.523 2.425 2.676 . 0 0 "[ . 1 . 2]" 2
820 1 32 ASP H 1 33 ILE HA . . 5.100 4.966 4.883 5.103 0.003 1 0 "[ . 1 . 2]" 2
821 1 32 ASP H 1 33 ILE HB . . 4.900 4.684 4.531 4.890 . 0 0 "[ . 1 . 2]" 2
822 1 32 ASP H 1 33 ILE MG . . 7.000 5.693 5.609 5.832 . 0 0 "[ . 1 . 2]" 2
823 1 32 ASP H 1 33 ILE HG12 . . 5.300 5.131 5.037 5.304 0.004 1 0 "[ . 1 . 2]" 2
824 1 32 ASP H 1 33 ILE HG13 . . 4.000 3.808 3.692 3.975 . 0 0 "[ . 1 . 2]" 2
825 1 32 ASP H 1 33 ILE MD . . 6.700 5.096 4.992 5.255 . 0 0 "[ . 1 . 2]" 2
826 1 32 ASP HA 1 32 ASP HB3 . . 2.700 2.505 2.435 2.544 . 0 0 "[ . 1 . 2]" 2
827 1 32 ASP HA 1 33 ILE H . . 3.600 3.541 3.500 3.583 . 0 0 "[ . 1 . 2]" 2
828 1 32 ASP HB2 1 33 ILE H . . 3.900 3.316 3.187 3.487 . 0 0 "[ . 1 . 2]" 2
829 1 32 ASP HB2 1 33 ILE HA . . 5.200 4.530 4.246 4.688 . 0 0 "[ . 1 . 2]" 2
830 1 32 ASP HB3 1 33 ILE H . . 4.400 4.156 4.028 4.245 . 0 0 "[ . 1 . 2]" 2
831 1 32 ASP HB3 1 33 ILE HA . . 5.200 4.739 4.549 4.855 . 0 0 "[ . 1 . 2]" 2
832 1 33 ILE H 1 33 ILE HA . . 3.000 2.738 2.715 2.765 . 0 0 "[ . 1 . 2]" 2
833 1 33 ILE H 1 33 ILE HB . . 2.700 2.360 2.264 2.456 . 0 0 "[ . 1 . 2]" 2
834 1 33 ILE H 1 33 ILE MG . . 4.200 3.647 3.622 3.664 . 0 0 "[ . 1 . 2]" 2
835 1 33 ILE H 1 33 ILE HG12 . . 3.000 3.078 3.049 3.105 0.105 18 0 "[ . 1 . 2]" 2
836 1 33 ILE H 1 33 ILE HG13 . . 2.400 2.028 2.004 2.082 . 0 0 "[ . 1 . 2]" 2
837 1 33 ILE H 1 33 ILE MD . . 4.300 3.588 3.574 3.621 . 0 0 "[ . 1 . 2]" 2
838 1 33 ILE H 1 34 PRO HD2 . . 5.100 5.031 4.974 5.052 . 0 0 "[ . 1 . 2]" 2
839 1 33 ILE H 1 34 PRO HD3 . . 4.700 4.637 4.571 4.687 . 0 0 "[ . 1 . 2]" 2
840 1 33 ILE H 1 46 LYS HE3 . . 4.400 4.180 3.972 4.297 . 0 0 "[ . 1 . 2]" 2
841 1 33 ILE H 1 46 LYS QZ . . 3.700 2.971 2.795 3.130 . 0 0 "[ . 1 . 2]" 2
842 1 33 ILE HA 1 33 ILE HB . . 3.000 2.985 2.965 3.001 0.001 15 0 "[ . 1 . 2]" 2
843 1 33 ILE HA 1 33 ILE MG . . 3.300 2.519 2.473 2.556 . 0 0 "[ . 1 . 2]" 2
844 1 33 ILE HA 1 33 ILE HG12 . . 2.400 2.272 2.256 2.284 . 0 0 "[ . 1 . 2]" 2
845 1 33 ILE HA 1 33 ILE HG13 . . 4.100 3.012 2.985 3.049 . 0 0 "[ . 1 . 2]" 2
846 1 33 ILE HA 1 33 ILE MD . . 4.400 3.700 3.675 3.711 . 0 0 "[ . 1 . 2]" 2
847 1 33 ILE HA 1 34 PRO HA . . 5.800 4.532 4.483 4.572 . 0 0 "[ . 1 . 2]" 2
848 1 33 ILE HA 1 34 PRO QG . . 4.300 3.941 3.888 3.962 . 0 0 "[ . 1 . 2]" 2
849 1 33 ILE HA 1 34 PRO HD2 . . 2.600 2.586 2.510 2.610 0.010 17 0 "[ . 1 . 2]" 2
850 1 33 ILE HA 1 34 PRO HD3 . . 2.300 2.046 2.016 2.063 . 0 0 "[ . 1 . 2]" 2
851 1 33 ILE HA 1 46 LYS QZ . . 5.700 3.998 3.927 4.104 . 0 0 "[ . 1 . 2]" 2
852 1 33 ILE HB 1 33 ILE HG12 . . 3.000 3.018 3.005 3.033 0.033 15 0 "[ . 1 . 2]" 2
853 1 33 ILE HB 1 33 ILE HG13 . . 2.600 2.444 2.410 2.498 . 0 0 "[ . 1 . 2]" 2
854 1 33 ILE HB 1 33 ILE MD . . 3.300 2.509 2.490 2.540 . 0 0 "[ . 1 . 2]" 2
855 1 33 ILE HB 1 34 PRO HD2 . . 4.100 4.149 4.110 4.207 0.107 13 0 "[ . 1 . 2]" 2
856 1 33 ILE HB 1 34 PRO HD3 . . 4.600 4.639 4.622 4.664 0.064 20 0 "[ . 1 . 2]" 2
857 1 33 ILE HB 1 37 TRP HB2 . . 5.900 5.589 5.414 5.713 . 0 0 "[ . 1 . 2]" 2
858 1 33 ILE HB 1 37 TRP HB3 . . 5.200 4.697 4.563 4.785 . 0 0 "[ . 1 . 2]" 2
859 1 33 ILE HB 1 46 LYS QG . . 5.200 4.522 4.116 4.763 . 0 0 "[ . 1 . 2]" 2
860 1 33 ILE HB 1 46 LYS HD2 . . 3.300 3.143 2.923 3.345 0.045 19 0 "[ . 1 . 2]" 2
861 1 33 ILE HB 1 46 LYS HD3 . . 4.500 3.998 3.368 4.464 . 0 0 "[ . 1 . 2]" 2
862 1 33 ILE HB 1 46 LYS HE2 . . 4.300 3.655 3.541 3.733 . 0 0 "[ . 1 . 2]" 2
863 1 33 ILE HB 1 46 LYS HE3 . . 2.700 2.130 2.058 2.193 . 0 0 "[ . 1 . 2]" 2
864 1 33 ILE HB 1 46 LYS QZ . . 4.500 2.147 2.068 2.260 . 0 0 "[ . 1 . 2]" 2
865 1 33 ILE HG12 1 33 ILE MG . . 3.300 2.394 2.338 2.451 . 0 0 "[ . 1 . 2]" 2
866 1 33 ILE HG13 1 33 ILE MG . . 3.700 3.125 3.114 3.139 . 0 0 "[ . 1 . 2]" 2
867 1 33 ILE MG 1 34 PRO HA . . 6.200 4.205 4.151 4.266 . 0 0 "[ . 1 . 2]" 2
868 1 33 ILE MG 1 34 PRO HB2 . . 5.400 4.313 3.947 4.503 . 0 0 "[ . 1 . 2]" 2
869 1 33 ILE MG 1 34 PRO HB3 . . 7.000 5.001 4.957 5.061 . 0 0 "[ . 1 . 2]" 2
870 1 33 ILE MG 1 34 PRO QG . . 6.100 3.680 3.579 3.853 . 0 0 "[ . 1 . 2]" 2
871 1 33 ILE MG 1 34 PRO HD2 . . 3.300 2.089 2.038 2.156 . 0 0 "[ . 1 . 2]" 2
872 1 33 ILE MG 1 34 PRO HD3 . . 4.000 3.147 3.090 3.213 . 0 0 "[ . 1 . 2]" 2
873 1 33 ILE MG 1 35 ASP H . . 7.000 4.843 4.702 4.960 . 0 0 "[ . 1 . 2]" 2
874 1 33 ILE MG 1 36 ASP H . . 6.900 5.084 4.895 5.267 . 0 0 "[ . 1 . 2]" 2
875 1 33 ILE MG 1 37 TRP H . . 4.900 3.667 3.548 3.745 . 0 0 "[ . 1 . 2]" 2
876 1 33 ILE MG 1 37 TRP HA . . 6.600 4.600 4.481 4.675 . 0 0 "[ . 1 . 2]" 2
877 1 33 ILE MG 1 37 TRP HB2 . . 3.500 2.844 2.678 2.945 . 0 0 "[ . 1 . 2]" 2
878 1 33 ILE MG 1 37 TRP HB3 . . 3.500 2.232 2.171 2.323 . 0 0 "[ . 1 . 2]" 2
879 1 33 ILE MG 1 37 TRP HD1 . . 5.400 4.117 3.819 4.300 . 0 0 "[ . 1 . 2]" 2
880 1 33 ILE MG 1 37 TRP HE3 . . 4.400 2.607 2.304 3.019 . 0 0 "[ . 1 . 2]" 2
881 1 33 ILE MG 1 37 TRP HE1 . . 7.000 4.591 4.224 4.807 . 0 0 "[ . 1 . 2]" 2
882 1 33 ILE MG 1 46 LYS QG . . 6.200 3.563 2.850 3.998 . 0 0 "[ . 1 . 2]" 2
883 1 33 ILE MG 1 46 LYS HD2 . . 3.900 2.203 2.087 2.311 . 0 0 "[ . 1 . 2]" 2
884 1 33 ILE MG 1 46 LYS HD3 . . 4.800 3.478 2.741 3.800 . 0 0 "[ . 1 . 2]" 2
885 1 33 ILE MG 1 46 LYS HE2 . . 7.000 3.955 3.811 4.079 . 0 0 "[ . 1 . 2]" 2
886 1 33 ILE MG 1 46 LYS HE3 . . 5.300 2.579 2.406 2.841 . 0 0 "[ . 1 . 2]" 2
887 1 33 ILE MG 1 46 LYS QZ . . 8.000 2.943 2.737 3.087 . 0 0 "[ . 1 . 2]" 2
888 1 33 ILE HG12 1 34 PRO HD2 . . 3.900 3.927 3.865 3.950 0.050 6 0 "[ . 1 . 2]" 2
889 1 33 ILE HG12 1 34 PRO HD3 . . 3.900 3.968 3.949 3.997 0.097 12 0 "[ . 1 . 2]" 2
890 1 33 ILE HG12 1 46 LYS HE3 . . 5.300 4.831 4.716 4.936 . 0 0 "[ . 1 . 2]" 2
891 1 33 ILE HG13 1 46 LYS QZ . . 5.100 3.851 3.691 4.097 . 0 0 "[ . 1 . 2]" 2
892 1 33 ILE MD 1 34 PRO HD2 . . 5.700 4.371 4.282 4.431 . 0 0 "[ . 1 . 2]" 2
893 1 33 ILE MD 1 37 TRP HB2 . . 6.500 5.056 4.798 5.253 . 0 0 "[ . 1 . 2]" 2
894 1 33 ILE MD 1 37 TRP HB3 . . 6.400 4.469 4.295 4.575 . 0 0 "[ . 1 . 2]" 2
895 1 33 ILE MD 1 37 TRP HE3 . . 7.000 3.889 3.624 4.242 . 0 0 "[ . 1 . 2]" 2
896 1 33 ILE MD 1 46 LYS HD2 . . 6.700 4.071 3.544 4.280 . 0 0 "[ . 1 . 2]" 2
897 1 33 ILE MD 1 46 LYS HE2 . . 6.200 4.283 4.126 4.440 . 0 0 "[ . 1 . 2]" 2
898 1 33 ILE MD 1 46 LYS HE3 . . 5.000 2.855 2.757 2.966 . 0 0 "[ . 1 . 2]" 2
899 1 34 PRO HA 1 34 PRO HB3 . . 2.600 2.277 2.243 2.333 . 0 0 "[ . 1 . 2]" 2
900 1 34 PRO HA 1 34 PRO QG . . 3.200 3.380 3.052 3.508 0.308 20 0 "[ . 1 . 2]" 2
901 1 34 PRO HA 1 34 PRO HD2 . . 3.700 3.950 3.894 3.982 0.282 20 0 "[ . 1 . 2]" 2
902 1 34 PRO HA 1 34 PRO HD3 . . 3.600 3.803 3.739 3.861 0.261 6 0 "[ . 1 . 2]" 2
903 1 34 PRO HA 1 35 ASP H . . 2.500 2.298 2.258 2.365 . 0 0 "[ . 1 . 2]" 2
904 1 34 PRO HA 1 35 ASP HB2 . . 4.700 4.308 4.225 4.439 . 0 0 "[ . 1 . 2]" 2
905 1 34 PRO HA 1 35 ASP HB3 . . 6.000 5.587 5.481 5.694 . 0 0 "[ . 1 . 2]" 2
906 1 34 PRO HA 1 36 ASP H . . 4.200 3.758 3.653 3.851 . 0 0 "[ . 1 . 2]" 2
907 1 34 PRO HB2 1 34 PRO QG . . 2.500 2.215 2.182 2.281 . 0 0 "[ . 1 . 2]" 2
908 1 34 PRO HB2 1 34 PRO HD2 . . 3.800 3.484 3.073 3.706 . 0 0 "[ . 1 . 2]" 2
909 1 34 PRO HB2 1 34 PRO HD3 . . 3.800 4.074 3.923 4.141 0.341 11 0 "[ . 1 . 2]" 2
910 1 34 PRO HB2 1 35 ASP H . . 3.700 3.563 3.413 3.747 0.047 18 0 "[ . 1 . 2]" 2
911 1 34 PRO HB2 1 36 ASP H . . 3.200 2.511 2.303 2.964 . 0 0 "[ . 1 . 2]" 2
912 1 34 PRO HB2 1 37 TRP H . . 3.800 2.980 2.591 3.158 . 0 0 "[ . 1 . 2]" 2
913 1 34 PRO HB2 1 37 TRP HA . . 6.000 4.764 4.112 5.103 . 0 0 "[ . 1 . 2]" 2
914 1 34 PRO HB2 1 37 TRP HB2 . . 4.000 3.586 2.754 3.985 . 0 0 "[ . 1 . 2]" 2
915 1 34 PRO HB2 1 37 TRP HB3 . . 4.600 4.320 3.668 4.618 0.018 10 0 "[ . 1 . 2]" 2
916 1 34 PRO HB3 1 34 PRO HD2 . . 4.100 4.015 3.966 4.037 . 0 0 "[ . 1 . 2]" 2
917 1 34 PRO HB3 1 34 PRO HD3 . . 3.600 3.810 3.638 4.045 0.445 18 0 "[ . 1 . 2]" 2
918 1 34 PRO HB3 1 35 ASP H . . 3.700 3.707 3.544 3.764 0.064 6 0 "[ . 1 . 2]" 2
919 1 34 PRO HB3 1 36 ASP H . . 3.700 3.640 3.363 3.720 0.020 20 0 "[ . 1 . 2]" 2
920 1 34 PRO HB3 1 37 TRP H . . 4.800 4.632 4.192 4.811 0.011 19 0 "[ . 1 . 2]" 2
921 1 34 PRO HD2 1 34 PRO QG . . 2.500 2.243 2.193 2.336 . 0 0 "[ . 1 . 2]" 2
922 1 34 PRO HD3 1 34 PRO QG . . 2.600 2.200 2.180 2.216 . 0 0 "[ . 1 . 2]" 2
923 1 34 PRO QG 1 35 ASP H . . 5.600 4.890 4.820 4.959 . 0 0 "[ . 1 . 2]" 2
924 1 34 PRO QG 1 36 ASP H . . 5.400 4.345 4.033 4.851 . 0 0 "[ . 1 . 2]" 2
925 1 34 PRO HD2 1 36 ASP H . . 5.700 5.322 5.079 5.599 . 0 0 "[ . 1 . 2]" 2
926 1 34 PRO HD2 1 37 TRP H . . 5.000 4.133 3.975 4.291 . 0 0 "[ . 1 . 2]" 2
927 1 34 PRO HD2 1 37 TRP HB2 . . 3.000 2.617 2.506 2.747 . 0 0 "[ . 1 . 2]" 2
928 1 34 PRO HD2 1 37 TRP HB3 . . 3.500 3.263 3.009 3.591 0.091 17 0 "[ . 1 . 2]" 2
929 1 34 PRO HD2 1 37 TRP HD1 . . 4.900 4.565 4.432 4.677 . 0 0 "[ . 1 . 2]" 2
930 1 34 PRO HD3 1 37 TRP H . . 5.700 5.589 5.460 5.733 0.033 18 0 "[ . 1 . 2]" 2
931 1 34 PRO HD3 1 37 TRP HB2 . . 4.900 4.289 4.187 4.477 . 0 0 "[ . 1 . 2]" 2
932 1 34 PRO HD3 1 37 TRP HD1 . . 6.000 5.970 5.843 6.024 0.024 6 0 "[ . 1 . 2]" 2
933 1 35 ASP H 1 35 ASP HB2 . . 2.800 2.077 2.015 2.144 . 0 0 "[ . 1 . 2]" 2
934 1 35 ASP H 1 35 ASP HB3 . . 3.200 3.318 3.211 3.371 0.171 4 0 "[ . 1 . 2]" 2
935 1 35 ASP H 1 36 ASP H . . 3.400 2.660 2.520 2.750 . 0 0 "[ . 1 . 2]" 2
936 1 35 ASP H 1 37 TRP H . . 4.600 4.182 4.028 4.260 . 0 0 "[ . 1 . 2]" 2
937 1 35 ASP H 1 46 LYS HD2 . . 6.000 4.766 4.373 5.438 . 0 0 "[ . 1 . 2]" 2
938 1 35 ASP H 1 46 LYS HD3 . . 6.000 4.151 3.691 4.814 . 0 0 "[ . 1 . 2]" 2
939 1 35 ASP HA 1 35 ASP HB3 . . 2.900 2.698 2.533 2.897 . 0 0 "[ . 1 . 2]" 2
940 1 35 ASP HA 1 36 ASP H . . 3.700 3.402 3.299 3.491 . 0 0 "[ . 1 . 2]" 2
941 1 35 ASP HA 1 37 TRP H . . 5.100 3.391 3.192 3.603 . 0 0 "[ . 1 . 2]" 2
942 1 35 ASP HA 1 37 TRP HB2 . . 6.000 5.420 5.078 5.745 . 0 0 "[ . 1 . 2]" 2
943 1 35 ASP HA 1 37 TRP HB3 . . 5.200 4.281 3.982 4.638 . 0 0 "[ . 1 . 2]" 2
944 1 35 ASP HA 1 46 LYS QB . . 7.000 4.026 3.521 4.419 . 0 0 "[ . 1 . 2]" 2
945 1 35 ASP HA 1 46 LYS QG . . 6.900 2.786 2.335 3.576 . 0 0 "[ . 1 . 2]" 2
946 1 35 ASP HA 1 46 LYS HD2 . . 3.400 2.861 2.421 3.452 0.052 6 0 "[ . 1 . 2]" 2
947 1 35 ASP HA 1 46 LYS HD3 . . 2.700 2.136 2.061 2.222 . 0 0 "[ . 1 . 2]" 2
948 1 35 ASP HA 1 46 LYS HE2 . . 4.700 4.676 4.535 4.807 0.107 20 0 "[ . 1 . 2]" 2
949 1 35 ASP HA 1 46 LYS HE3 . . 5.100 4.829 4.545 5.049 . 0 0 "[ . 1 . 2]" 2
950 1 35 ASP HA 1 46 LYS QZ . . 5.500 3.500 2.951 3.833 . 0 0 "[ . 1 . 2]" 2
951 1 35 ASP HB2 1 36 ASP H . . 3.900 3.600 3.319 3.886 . 0 0 "[ . 1 . 2]" 2
952 1 35 ASP HB3 1 36 ASP H . . 4.000 3.857 3.485 4.059 0.059 6 0 "[ . 1 . 2]" 2
953 1 35 ASP HB3 1 46 LYS HD2 . . 5.900 5.508 5.041 5.903 0.003 1 0 "[ . 1 . 2]" 2
954 1 35 ASP HB3 1 46 LYS HD3 . . 6.000 4.376 3.964 4.814 . 0 0 "[ . 1 . 2]" 2
955 1 36 ASP H 1 36 ASP HB2 . . 3.500 2.801 2.017 3.580 0.080 1 0 "[ . 1 . 2]" 2
956 1 36 ASP H 1 36 ASP HB3 . . 3.200 2.959 2.600 3.249 0.049 12 0 "[ . 1 . 2]" 2
957 1 36 ASP H 1 37 TRP H . . 2.900 2.531 2.423 2.599 . 0 0 "[ . 1 . 2]" 2
958 1 36 ASP H 1 37 TRP HA . . 6.000 5.043 4.968 5.127 . 0 0 "[ . 1 . 2]" 2
959 1 36 ASP H 1 37 TRP HB2 . . 4.700 4.731 4.710 4.754 0.054 14 0 "[ . 1 . 2]" 2
960 1 36 ASP H 1 37 TRP HB3 . . 5.000 4.714 4.586 4.795 . 0 0 "[ . 1 . 2]" 2
961 1 36 ASP HA 1 36 ASP HB2 . . 2.700 2.645 2.372 2.841 0.141 12 0 "[ . 1 . 2]" 2
962 1 36 ASP HA 1 36 ASP HB3 . . 2.700 2.614 2.408 2.819 0.119 10 0 "[ . 1 . 2]" 2
963 1 36 ASP HA 1 37 TRP H . . 3.400 3.452 3.410 3.475 0.075 3 0 "[ . 1 . 2]" 2
964 1 36 ASP HB2 1 37 TRP H . . 4.800 3.950 3.579 4.313 . 0 0 "[ . 1 . 2]" 2
965 1 36 ASP HB3 1 37 TRP H . . 5.800 3.994 3.446 4.505 . 0 0 "[ . 1 . 2]" 2
966 1 37 TRP H 1 37 TRP HB2 . . 2.700 2.640 2.579 2.680 . 0 0 "[ . 1 . 2]" 2
967 1 37 TRP H 1 37 TRP HB3 . . 2.600 2.364 2.310 2.407 . 0 0 "[ . 1 . 2]" 2
968 1 37 TRP H 1 37 TRP HE3 . . 4.300 4.336 4.305 4.361 0.061 15 0 "[ . 1 . 2]" 2
969 1 37 TRP H 1 46 LYS HD2 . . 5.000 3.954 3.674 4.457 . 0 0 "[ . 1 . 2]" 2
970 1 37 TRP HA 1 37 TRP HB2 . . 3.100 2.445 2.415 2.468 . 0 0 "[ . 1 . 2]" 2
971 1 37 TRP HA 1 37 TRP HD1 . . 4.300 3.122 3.011 3.227 . 0 0 "[ . 1 . 2]" 2
972 1 37 TRP HA 1 38 VAL H . . 2.900 2.301 2.201 2.376 . 0 0 "[ . 1 . 2]" 2
973 1 37 TRP HB2 1 37 TRP HD1 . . 2.800 2.805 2.781 2.828 0.028 14 0 "[ . 1 . 2]" 2
974 1 37 TRP HB2 1 37 TRP HE3 . . 4.000 4.022 3.951 4.052 0.052 10 0 "[ . 1 . 2]" 2
975 1 37 TRP HB2 1 38 VAL H . . 6.000 3.870 3.770 3.968 . 0 0 "[ . 1 . 2]" 2
976 1 37 TRP HB2 1 46 LYS HD2 . . 5.100 4.554 4.276 4.768 . 0 0 "[ . 1 . 2]" 2
977 1 37 TRP HB3 1 37 TRP HD1 . . 4.000 3.850 3.842 3.857 . 0 0 "[ . 1 . 2]" 2
978 1 37 TRP HB3 1 37 TRP HE3 . . 2.700 2.437 2.377 2.473 . 0 0 "[ . 1 . 2]" 2
979 1 37 TRP HB3 1 38 VAL H . . 5.600 3.786 3.697 3.857 . 0 0 "[ . 1 . 2]" 2
980 1 37 TRP HB3 1 46 LYS QG . . 7.000 3.933 3.171 4.563 . 0 0 "[ . 1 . 2]" 2
981 1 37 TRP HB3 1 46 LYS HD2 . . 3.900 3.023 2.789 3.280 . 0 0 "[ . 1 . 2]" 2
982 1 37 TRP HB3 1 46 LYS HD3 . . 5.600 4.424 3.632 4.775 . 0 0 "[ . 1 . 2]" 2
983 1 37 TRP HB3 1 46 LYS HE3 . . 5.800 4.831 4.419 5.085 . 0 0 "[ . 1 . 2]" 2
984 1 37 TRP HD1 1 38 VAL H . . 3.400 3.257 3.028 3.429 0.029 12 0 "[ . 1 . 2]" 2
985 1 37 TRP HE3 1 38 VAL H . . 4.100 4.117 4.009 4.165 0.065 17 0 "[ . 1 . 2]" 2
986 1 37 TRP HE3 1 46 LYS HA . . 5.800 4.234 3.732 4.530 . 0 0 "[ . 1 . 2]" 2
987 1 37 TRP HE3 1 46 LYS QB . . 4.400 2.809 2.034 4.072 . 0 0 "[ . 1 . 2]" 2
988 1 37 TRP HE3 1 46 LYS QG . . 4.600 3.040 1.957 3.925 . 0 0 "[ . 1 . 2]" 2
989 1 37 TRP HE3 1 46 LYS HD2 . . 5.800 2.887 2.279 3.336 . 0 0 "[ . 1 . 2]" 2
990 1 37 TRP HH2 1 37 TRP HZ3 . . 2.500 2.482 2.472 2.486 . 0 0 "[ . 1 . 2]" 2
991 1 37 TRP HZ3 1 46 LYS QG . . 5.500 3.830 2.275 4.747 . 0 0 "[ . 1 . 2]" 2
992 1 38 VAL H 1 38 VAL HB . . 3.600 3.107 2.518 3.687 0.087 20 0 "[ . 1 . 2]" 2
993 1 40 PRO HB2 1 40 PRO HG3 . . 3.100 2.708 2.688 2.722 . 0 0 "[ . 1 . 2]" 2
994 1 40 PRO HB3 1 40 PRO HG3 . . 2.500 2.380 2.296 2.417 . 0 0 "[ . 1 . 2]" 2
995 1 45 GLY HA2 1 46 LYS H . . 3.200 2.595 2.068 3.215 0.015 17 0 "[ . 1 . 2]" 2
996 1 45 GLY HA3 1 46 LYS H . . 3.200 2.647 2.126 3.262 0.062 8 0 "[ . 1 . 2]" 2
997 1 46 LYS H 1 46 LYS QB . . 3.600 2.707 2.357 3.307 . 0 0 "[ . 1 . 2]" 2
998 1 46 LYS QB 1 46 LYS HE2 . . 3.800 2.395 2.071 2.966 . 0 0 "[ . 1 . 2]" 2
999 1 46 LYS QB 1 46 LYS HE3 . . 3.900 2.794 2.251 3.322 . 0 0 "[ . 1 . 2]" 2
1000 1 46 LYS QB 1 47 ASP H . . 4.400 3.311 1.981 3.991 . 0 0 "[ . 1 . 2]" 2
1001 1 46 LYS HD2 1 46 LYS HE2 . . 3.100 3.018 2.886 3.065 . 0 0 "[ . 1 . 2]" 2
1002 1 46 LYS HD2 1 46 LYS HE3 . . 2.500 2.359 2.289 2.457 . 0 0 "[ . 1 . 2]" 2
1003 1 46 LYS HD3 1 46 LYS HE2 . . 3.000 2.687 2.507 2.922 . 0 0 "[ . 1 . 2]" 2
1004 1 46 LYS HD3 1 46 LYS HE3 . . 3.000 2.978 2.840 3.028 0.028 8 0 "[ . 1 . 2]" 2
1005 1 47 ASP H 1 47 ASP QB . . 3.800 2.870 2.180 3.388 . 0 0 "[ . 1 . 2]" 2
1006 1 47 ASP H 1 48 GLN H . . 4.100 3.459 2.304 4.220 0.120 19 0 "[ . 1 . 2]" 2
1007 1 49 PHE HA 1 50 GLU H . . 4.200 2.265 2.129 2.557 . 0 0 "[ . 1 . 2]" 2
1008 1 49 PHE HB2 1 50 GLU H . . 4.100 3.595 2.254 4.150 0.050 20 0 "[ . 1 . 2]" 2
1009 1 50 GLU H 1 50 GLU HB2 . . 3.900 2.390 2.248 2.773 . 0 0 "[ . 1 . 2]" 2
1010 1 50 GLU H 1 50 GLU HB3 . . 4.300 3.602 3.518 3.836 . 0 0 "[ . 1 . 2]" 2
1011 1 50 GLU H 1 50 GLU HG2 . . 4.100 3.976 3.692 4.132 0.032 4 0 "[ . 1 . 2]" 2
1012 1 50 GLU HA 1 50 GLU HB3 . . 2.800 2.548 2.459 2.609 . 0 0 "[ . 1 . 2]" 2
1013 1 50 GLU HA 1 50 GLU HG2 . . 4.000 2.527 2.294 3.469 . 0 0 "[ . 1 . 2]" 2
1014 1 50 GLU HA 1 50 GLU HG3 . . 4.300 2.953 2.391 3.243 . 0 0 "[ . 1 . 2]" 2
1015 1 50 GLU HA 1 51 GLU H . . 2.800 2.368 2.264 2.477 . 0 0 "[ . 1 . 2]" 2
1016 1 50 GLU HA 1 51 GLU HA . . 5.100 4.413 4.335 4.462 . 0 0 "[ . 1 . 2]" 2
1017 1 50 GLU HA 1 51 GLU QB . . 6.800 4.069 4.012 4.157 . 0 0 "[ . 1 . 2]" 2
1018 1 50 GLU HB2 1 50 GLU HG3 . . 2.900 2.521 2.410 2.966 0.066 20 0 "[ . 1 . 2]" 2
1019 1 50 GLU HB2 1 51 GLU H . . 4.100 4.092 3.802 4.157 0.057 2 0 "[ . 1 . 2]" 2
1020 1 50 GLU HB3 1 50 GLU HG2 . . 2.600 2.489 2.294 2.585 . 0 0 "[ . 1 . 2]" 2
1021 1 50 GLU HB3 1 51 GLU H . . 3.600 2.948 2.683 3.170 . 0 0 "[ . 1 . 2]" 2
1022 1 51 GLU H 1 51 GLU QB . . 3.700 2.146 2.111 2.190 . 0 0 "[ . 1 . 2]" 2
1023 1 51 GLU H 1 51 GLU HG2 . . 4.000 4.134 4.107 4.161 0.161 18 0 "[ . 1 . 2]" 2
1024 1 51 GLU H 1 51 GLU HG3 . . 4.500 4.447 4.395 4.493 . 0 0 "[ . 1 . 2]" 2
1025 1 51 GLU H 1 52 VAL H . . 4.800 4.575 4.521 4.633 . 0 0 "[ . 1 . 2]" 2
1026 1 51 GLU HA 1 51 GLU HG2 . . 3.600 3.283 3.136 3.367 . 0 0 "[ . 1 . 2]" 2
1027 1 51 GLU HA 1 51 GLU HG3 . . 3.400 2.553 2.450 2.673 . 0 0 "[ . 1 . 2]" 2
1028 1 51 GLU HA 1 52 VAL H . . 2.400 2.235 2.178 2.278 . 0 0 "[ . 1 . 2]" 2
1029 1 51 GLU HA 1 52 VAL HA . . 4.600 4.491 4.441 4.529 . 0 0 "[ . 1 . 2]" 2
1030 1 51 GLU HA 1 52 VAL HB . . 4.500 4.225 4.145 4.287 . 0 0 "[ . 1 . 2]" 2
1031 1 51 GLU HA 1 52 VAL MG2 . . 5.600 3.793 3.663 4.072 . 0 0 "[ . 1 . 2]" 2
1032 1 51 GLU QB 1 52 VAL H . . 5.600 3.715 3.658 3.778 . 0 0 "[ . 1 . 2]" 2
1033 1 51 GLU QB 1 52 VAL HA . . 7.000 4.901 4.857 4.984 . 0 0 "[ . 1 . 2]" 2
1034 1 51 GLU QB 1 53 GLU H . . 5.700 5.051 4.970 5.108 . 0 0 "[ . 1 . 2]" 2
1035 1 51 GLU HG2 1 52 VAL H . . 3.300 3.118 2.927 3.297 . 0 0 "[ . 1 . 2]" 2
1036 1 51 GLU HG2 1 52 VAL HA . . 4.200 4.187 3.997 4.265 0.065 1 0 "[ . 1 . 2]" 2
1037 1 51 GLU HG2 1 53 GLU HA . . 5.600 3.663 3.372 3.952 . 0 0 "[ . 1 . 2]" 2
1038 1 51 GLU HG3 1 52 VAL H . . 3.300 2.636 2.406 2.872 . 0 0 "[ . 1 . 2]" 2
1039 1 51 GLU HG3 1 52 VAL HA . . 5.700 4.881 4.699 5.159 . 0 0 "[ . 1 . 2]" 2
1040 1 51 GLU HG3 1 53 GLU HA . . 4.600 4.582 4.157 4.645 0.045 1 0 "[ . 1 . 2]" 2
1041 1 52 VAL H 1 52 VAL HB . . 3.000 2.246 2.193 2.301 . 0 0 "[ . 1 . 2]" 2
1042 1 52 VAL H 1 52 VAL MG1 . . 4.200 3.584 3.544 3.612 . 0 0 "[ . 1 . 2]" 2
1043 1 52 VAL H 1 52 VAL MG2 . . 3.900 2.856 2.765 3.016 . 0 0 "[ . 1 . 2]" 2
1044 1 52 VAL H 1 53 GLU H . . 4.300 4.128 4.016 4.218 . 0 0 "[ . 1 . 2]" 2
1045 1 52 VAL H 1 54 GLU H . . 5.300 4.752 4.488 5.317 0.017 8 0 "[ . 1 . 2]" 2
1046 1 52 VAL HA 1 52 VAL MG1 . . 3.300 2.549 2.485 2.671 . 0 0 "[ . 1 . 2]" 2
1047 1 52 VAL HA 1 52 VAL MG2 . . 3.600 2.320 2.209 2.367 . 0 0 "[ . 1 . 2]" 2
1048 1 52 VAL HA 1 53 GLU H . . 2.500 2.176 2.104 2.233 . 0 0 "[ . 1 . 2]" 2
1049 1 52 VAL HA 1 53 GLU HA . . 6.000 4.448 4.395 4.490 . 0 0 "[ . 1 . 2]" 2
1050 1 52 VAL HA 1 53 GLU HB2 . . 6.000 5.632 5.570 5.692 . 0 0 "[ . 1 . 2]" 2
1051 1 52 VAL HA 1 53 GLU HG3 . . 5.900 5.088 4.945 5.380 . 0 0 "[ . 1 . 2]" 2
1052 1 52 VAL HA 1 54 GLU HG2 . . 6.000 5.420 3.999 6.071 0.071 6 0 "[ . 1 . 2]" 2
1053 1 52 VAL HB 1 53 GLU H . . 4.600 4.578 4.530 4.622 0.022 16 0 "[ . 1 . 2]" 2
1054 1 52 VAL MG1 1 53 GLU H . . 4.100 3.347 3.195 3.427 . 0 0 "[ . 1 . 2]" 2
1055 1 52 VAL MG1 1 53 GLU HA . . 6.700 4.277 4.099 4.397 . 0 0 "[ . 1 . 2]" 2
1056 1 52 VAL MG1 1 54 GLU H . . 4.800 2.790 2.479 3.169 . 0 0 "[ . 1 . 2]" 2
1057 1 52 VAL MG2 1 53 GLU H . . 5.600 4.096 3.867 4.211 . 0 0 "[ . 1 . 2]" 2
1058 1 52 VAL MG2 1 54 GLU H . . 7.000 5.159 4.888 5.589 . 0 0 "[ . 1 . 2]" 2
1059 1 53 GLU H 1 53 GLU HB2 . . 3.400 3.486 3.467 3.514 0.114 8 0 "[ . 1 . 2]" 2
1060 1 53 GLU H 1 53 GLU HB3 . . 2.900 2.557 2.472 2.638 . 0 0 "[ . 1 . 2]" 2
1061 1 53 GLU H 1 53 GLU HG2 . . 3.800 1.955 1.938 1.981 . 0 0 "[ . 1 . 2]" 2
1062 1 53 GLU H 1 53 GLU HG3 . . 3.600 3.160 2.970 3.368 . 0 0 "[ . 1 . 2]" 2
1063 1 53 GLU H 1 54 GLU H . . 4.000 3.645 3.437 4.006 0.006 8 0 "[ . 1 . 2]" 2
1064 1 53 GLU HA 1 53 GLU HG2 . . 3.800 3.796 3.724 3.821 0.021 17 0 "[ . 1 . 2]" 2
1065 1 53 GLU HA 1 53 GLU HG3 . . 4.400 3.855 3.797 3.878 . 0 0 "[ . 1 . 2]" 2
1066 1 53 GLU HA 1 54 GLU H . . 2.700 2.424 2.162 2.537 . 0 0 "[ . 1 . 2]" 2
1067 1 53 GLU HB2 1 54 GLU H . . 4.200 4.244 4.022 4.296 0.096 12 0 "[ . 1 . 2]" 2
1068 1 53 GLU HB3 1 53 GLU HG2 . . 2.600 2.554 2.476 2.609 0.009 8 0 "[ . 1 . 2]" 2
1069 1 53 GLU HB3 1 54 GLU H . . 4.500 4.525 4.478 4.557 0.057 12 0 "[ . 1 . 2]" 2
1070 1 53 GLU HG2 1 54 GLU H . . 4.800 4.849 4.799 4.892 0.092 19 0 "[ . 1 . 2]" 2
1071 1 53 GLU HG3 1 54 GLU H . . 4.700 4.707 4.476 4.816 0.116 16 0 "[ . 1 . 2]" 2
1072 1 54 GLU H 1 54 GLU HG2 . . 3.500 2.940 2.043 3.582 0.082 17 0 "[ . 1 . 2]" 2
1073 1 54 GLU H 1 54 GLU HG3 . . 4.100 3.133 2.107 3.588 . 0 0 "[ . 1 . 2]" 2
1074 1 54 GLU HA 1 54 GLU HG2 . . 3.900 2.965 2.451 3.821 . 0 0 "[ . 1 . 2]" 2
1075 1 54 GLU HA 1 54 GLU HG3 . . 3.800 3.674 3.335 3.856 0.056 15 0 "[ . 1 . 2]" 2
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