NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573840 |
2m3w   |
17857 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3w
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 2966
_Distance_constraint_stats_list.Viol_count 847
_Distance_constraint_stats_list.Viol_total 258.454
_Distance_constraint_stats_list.Viol_max 0.205
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0153
_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 3 GLU 0.003 0.003 19 0 "[ . 1 . 2]"
1 4 LEU 0.008 0.008 5 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 THR 0.003 0.003 19 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 MET 0.094 0.023 11 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.039 0.035 19 0 "[ . 1 . 2]"
1 11 LEU 0.058 0.023 11 0 "[ . 1 . 2]"
1 12 ILE 0.017 0.008 1 0 "[ . 1 . 2]"
1 13 ASN 0.035 0.035 19 0 "[ . 1 . 2]"
1 14 VAL 0.034 0.012 20 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.016 0.009 8 0 "[ . 1 . 2]"
1 18 HIS 0.153 0.018 3 0 "[ . 1 . 2]"
1 19 SER 0.088 0.021 10 0 "[ . 1 . 2]"
1 20 GLY 0.033 0.015 12 0 "[ . 1 . 2]"
1 21 LYS 0.046 0.012 1 0 "[ . 1 . 2]"
1 22 GLU 0.044 0.012 1 0 "[ . 1 . 2]"
1 23 GLY 0.025 0.010 20 0 "[ . 1 . 2]"
1 24 ASP 0.011 0.011 13 0 "[ . 1 . 2]"
1 25 LYS 0.040 0.015 12 0 "[ . 1 . 2]"
1 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.097 0.024 17 0 "[ . 1 . 2]"
1 28 LEU 0.421 0.051 19 0 "[ . 1 . 2]"
1 29 SER 0.148 0.017 11 0 "[ . 1 . 2]"
1 30 LYS 0.028 0.012 7 0 "[ . 1 . 2]"
1 31 LYS 0.202 0.031 19 0 "[ . 1 . 2]"
1 32 GLN 0.210 0.031 19 0 "[ . 1 . 2]"
1 33 LEU 0.215 0.026 1 0 "[ . 1 . 2]"
1 34 LYS 0.884 0.071 17 0 "[ . 1 . 2]"
1 35 GLU 0.112 0.026 2 0 "[ . 1 . 2]"
1 36 LEU 0.316 0.041 14 0 "[ . 1 . 2]"
1 37 LEU 0.553 0.041 14 0 "[ . 1 . 2]"
1 38 GLN 0.641 0.125 2 0 "[ . 1 . 2]"
1 39 THR 0.146 0.031 20 0 "[ . 1 . 2]"
1 40 GLU 0.009 0.005 7 0 "[ . 1 . 2]"
1 41 LEU 0.065 0.023 7 0 "[ . 1 . 2]"
1 42 SER 0.017 0.008 5 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 0.035 0.017 7 0 "[ . 1 . 2]"
1 45 LEU 0.147 0.031 20 0 "[ . 1 . 2]"
1 46 ASP 0.030 0.010 12 0 "[ . 1 . 2]"
1 47 ALA 0.337 0.205 12 0 "[ . 1 . 2]"
1 48 GLN 0.417 0.205 12 0 "[ . 1 . 2]"
1 49 LYS 0.013 0.009 14 0 "[ . 1 . 2]"
1 50 ASP 0.018 0.006 6 0 "[ . 1 . 2]"
1 51 VAL 0.015 0.009 15 0 "[ . 1 . 2]"
1 52 ASP 0.001 0.001 15 0 "[ . 1 . 2]"
1 53 ALA 0.183 0.034 13 0 "[ . 1 . 2]"
1 54 VAL 0.113 0.027 7 0 "[ . 1 . 2]"
1 55 ASP 0.014 0.009 15 0 "[ . 1 . 2]"
1 56 LYS 0.364 0.134 2 0 "[ . 1 . 2]"
1 57 VAL 0.268 0.057 5 0 "[ . 1 . 2]"
1 58 MET 0.095 0.015 4 0 "[ . 1 . 2]"
1 59 LYS 0.400 0.143 2 0 "[ . 1 . 2]"
1 60 GLU 0.013 0.012 2 0 "[ . 1 . 2]"
1 61 LEU 0.139 0.015 4 0 "[ . 1 . 2]"
1 62 ASP 0.046 0.015 2 0 "[ . 1 . 2]"
1 63 GLU 0.011 0.007 4 0 "[ . 1 . 2]"
1 64 ASN 0.012 0.007 4 0 "[ . 1 . 2]"
1 65 GLY 0.008 0.004 2 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.009 0.009 3 0 "[ . 1 . 2]"
1 68 GLU 0.054 0.016 16 0 "[ . 1 . 2]"
1 69 VAL 0.268 0.040 10 0 "[ . 1 . 2]"
1 70 ASP 0.153 0.036 2 0 "[ . 1 . 2]"
1 71 PHE 0.007 0.007 7 0 "[ . 1 . 2]"
1 72 GLN 0.167 0.038 16 0 "[ . 1 . 2]"
1 73 GLU 0.371 0.040 10 0 "[ . 1 . 2]"
1 74 TYR 0.005 0.005 3 0 "[ . 1 . 2]"
1 75 VAL 0.562 0.042 18 0 "[ . 1 . 2]"
1 76 VAL 0.085 0.038 16 0 "[ . 1 . 2]"
1 77 LEU 0.211 0.030 7 0 "[ . 1 . 2]"
1 78 VAL 0.956 0.044 9 0 "[ . 1 . 2]"
1 79 ALA 0.010 0.010 7 0 "[ . 1 . 2]"
1 80 ALA 0.004 0.004 4 0 "[ . 1 . 2]"
1 81 LEU 0.245 0.034 13 0 "[ . 1 . 2]"
1 82 THR 0.064 0.012 8 0 "[ . 1 . 2]"
1 83 VAL 0.175 0.015 20 0 "[ . 1 . 2]"
1 84 ALA 0.046 0.012 6 0 "[ . 1 . 2]"
1 85 CYS 0.022 0.011 19 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASN 0.010 0.009 14 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.001 0.001 16 0 "[ . 1 . 2]"
1 90 TRP 0.027 0.014 10 0 "[ . 1 . 2]"
1 91 GLU 0.016 0.014 10 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 GLU 0.002 0.002 19 0 "[ . 1 . 2]"
2 4 LEU 0.008 0.008 5 0 "[ . 1 . 2]"
2 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 THR 0.002 0.002 19 0 "[ . 1 . 2]"
2 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 MET 0.094 0.023 11 0 "[ . 1 . 2]"
2 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 THR 0.039 0.035 19 0 "[ . 1 . 2]"
2 11 LEU 0.058 0.023 11 0 "[ . 1 . 2]"
2 12 ILE 0.019 0.008 1 0 "[ . 1 . 2]"
2 13 ASN 0.035 0.035 19 0 "[ . 1 . 2]"
2 14 VAL 0.035 0.012 20 0 "[ . 1 . 2]"
2 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 ALA 0.015 0.008 8 0 "[ . 1 . 2]"
2 18 HIS 0.159 0.018 3 0 "[ . 1 . 2]"
2 19 SER 0.089 0.019 10 0 "[ . 1 . 2]"
2 20 GLY 0.032 0.013 12 0 "[ . 1 . 2]"
2 21 LYS 0.048 0.012 1 0 "[ . 1 . 2]"
2 22 GLU 0.045 0.012 1 0 "[ . 1 . 2]"
2 23 GLY 0.025 0.011 20 0 "[ . 1 . 2]"
2 24 ASP 0.011 0.011 13 0 "[ . 1 . 2]"
2 25 LYS 0.039 0.013 12 0 "[ . 1 . 2]"
2 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 LYS 0.099 0.023 17 0 "[ . 1 . 2]"
2 28 LEU 0.427 0.050 19 0 "[ . 1 . 2]"
2 29 SER 0.146 0.016 16 0 "[ . 1 . 2]"
2 30 LYS 0.029 0.013 7 0 "[ . 1 . 2]"
2 31 LYS 0.210 0.032 19 0 "[ . 1 . 2]"
2 32 GLN 0.214 0.032 19 0 "[ . 1 . 2]"
2 33 LEU 0.211 0.026 19 0 "[ . 1 . 2]"
2 34 LYS 0.889 0.070 17 0 "[ . 1 . 2]"
2 35 GLU 0.114 0.027 2 0 "[ . 1 . 2]"
2 36 LEU 0.315 0.042 14 0 "[ . 1 . 2]"
2 37 LEU 0.554 0.042 14 0 "[ . 1 . 2]"
2 38 GLN 0.641 0.125 2 0 "[ . 1 . 2]"
2 39 THR 0.147 0.031 20 0 "[ . 1 . 2]"
2 40 GLU 0.012 0.006 7 0 "[ . 1 . 2]"
2 41 LEU 0.065 0.022 7 0 "[ . 1 . 2]"
2 42 SER 0.017 0.008 5 0 "[ . 1 . 2]"
2 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 PHE 0.035 0.017 7 0 "[ . 1 . 2]"
2 45 LEU 0.145 0.031 20 0 "[ . 1 . 2]"
2 46 ASP 0.031 0.011 12 0 "[ . 1 . 2]"
2 47 ALA 0.340 0.205 12 0 "[ . 1 . 2]"
2 48 GLN 0.420 0.205 12 0 "[ . 1 . 2]"
2 49 LYS 0.013 0.008 14 0 "[ . 1 . 2]"
2 50 ASP 0.020 0.007 3 0 "[ . 1 . 2]"
2 51 VAL 0.013 0.008 15 0 "[ . 1 . 2]"
2 52 ASP 0.000 0.000 15 0 "[ . 1 . 2]"
2 53 ALA 0.184 0.034 13 0 "[ . 1 . 2]"
2 54 VAL 0.114 0.027 11 0 "[ . 1 . 2]"
2 55 ASP 0.013 0.008 15 0 "[ . 1 . 2]"
2 56 LYS 0.367 0.134 2 0 "[ . 1 . 2]"
2 57 VAL 0.272 0.058 5 0 "[ . 1 . 2]"
2 58 MET 0.090 0.014 4 0 "[ . 1 . 2]"
2 59 LYS 0.397 0.143 2 0 "[ . 1 . 2]"
2 60 GLU 0.013 0.011 2 0 "[ . 1 . 2]"
2 61 LEU 0.132 0.014 4 0 "[ . 1 . 2]"
2 62 ASP 0.043 0.016 2 0 "[ . 1 . 2]"
2 63 GLU 0.009 0.006 4 0 "[ . 1 . 2]"
2 64 ASN 0.010 0.006 4 0 "[ . 1 . 2]"
2 65 GLY 0.008 0.004 2 0 "[ . 1 . 2]"
2 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 GLY 0.008 0.008 3 0 "[ . 1 . 2]"
2 68 GLU 0.054 0.016 16 0 "[ . 1 . 2]"
2 69 VAL 0.271 0.042 10 0 "[ . 1 . 2]"
2 70 ASP 0.152 0.035 2 0 "[ . 1 . 2]"
2 71 PHE 0.008 0.008 7 0 "[ . 1 . 2]"
2 72 GLN 0.171 0.038 16 0 "[ . 1 . 2]"
2 73 GLU 0.375 0.042 10 0 "[ . 1 . 2]"
2 74 TYR 0.004 0.004 3 0 "[ . 1 . 2]"
2 75 VAL 0.564 0.042 18 0 "[ . 1 . 2]"
2 76 VAL 0.085 0.038 16 0 "[ . 1 . 2]"
2 77 LEU 0.212 0.029 7 0 "[ . 1 . 2]"
2 78 VAL 0.958 0.045 9 0 "[ . 1 . 2]"
2 79 ALA 0.010 0.010 7 0 "[ . 1 . 2]"
2 80 ALA 0.004 0.004 4 0 "[ . 1 . 2]"
2 81 LEU 0.237 0.034 13 0 "[ . 1 . 2]"
2 82 THR 0.065 0.012 8 0 "[ . 1 . 2]"
2 83 VAL 0.172 0.015 20 0 "[ . 1 . 2]"
2 84 ALA 0.047 0.012 6 0 "[ . 1 . 2]"
2 85 CYS 0.025 0.013 19 0 "[ . 1 . 2]"
2 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 ASN 0.010 0.008 14 0 "[ . 1 . 2]"
2 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 89 PHE 0.000 0.000 16 0 "[ . 1 . 2]"
2 90 TRP 0.026 0.012 10 0 "[ . 1 . 2]"
2 91 GLU 0.014 0.012 10 0 "[ . 1 . 2]"
2 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LEU H 1 4 LEU HB3 3.800 . 4.300 2.795 2.551 3.026 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU H 1 4 LEU HB2 3.800 . 4.300 2.324 2.165 2.520 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU HB2 1 4 LEU H 3.800 . 4.300 2.872 2.739 3.083 . 0 0 "[ . 1 . 2]" 1
4 1 4 LEU H 1 4 LEU HG 4.500 . 5.000 4.253 4.002 4.490 . 0 0 "[ . 1 . 2]" 1
5 1 4 LEU H 1 4 LEU MD2 4.500 . 5.000 4.230 4.153 4.327 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU H 1 4 LEU MD1 4.500 . 5.000 4.106 3.875 4.267 . 0 0 "[ . 1 . 2]" 1
7 1 4 LEU HB3 1 5 GLU H 4.500 . 5.000 2.403 2.085 2.652 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU H 1 5 GLU HB2 3.800 . 4.300 2.530 2.429 2.628 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU HB2 1 5 GLU H 4.500 . 5.000 3.622 3.360 3.930 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU H 1 5 GLU HG2 4.500 . 5.000 3.245 3.006 3.412 . 0 0 "[ . 1 . 2]" 1
11 1 5 GLU H 1 5 GLU HG3 4.500 . 5.000 2.034 1.901 2.235 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLU H 1 5 GLU HB3 3.800 . 4.300 3.588 3.584 3.592 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLU HB2 1 6 THR H 4.500 . 5.000 2.671 2.574 2.758 . 0 0 "[ . 1 . 2]" 1
14 1 6 THR H 1 6 THR HB 3.800 . 4.300 2.616 2.510 2.725 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU HA 1 6 THR H 3.800 . 4.300 3.168 3.023 3.350 . 0 0 "[ . 1 . 2]" 1
16 1 6 THR H 1 6 THR MG 4.500 . 5.000 3.741 3.722 3.750 . 0 0 "[ . 1 . 2]" 1
17 1 6 THR H 1 7 ALA MB 4.500 . 5.000 4.286 4.161 4.466 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLU HB3 1 6 THR H 4.500 . 5.000 3.738 3.667 3.823 . 0 0 "[ . 1 . 2]" 1
19 1 6 THR HB 1 7 ALA H 3.800 . 4.300 2.706 2.447 2.834 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLU HA 1 7 ALA H 4.500 . 5.000 4.369 4.022 4.637 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU HA 1 7 ALA H 3.800 . 4.300 3.474 3.306 3.697 . 0 0 "[ . 1 . 2]" 1
22 1 6 THR MG 1 7 ALA H 3.800 . 4.300 3.694 3.558 3.804 . 0 0 "[ . 1 . 2]" 1
23 1 7 ALA H 1 7 ALA MB 2.800 . 3.300 2.183 2.140 2.235 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLU HB3 1 7 ALA H 5.200 . 5.700 4.628 4.343 5.066 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLU HA 1 8 MET H 4.500 . 5.000 3.532 3.228 3.733 . 0 0 "[ . 1 . 2]" 1
26 1 8 MET H 1 8 MET HG3 3.800 . 4.300 3.340 2.348 3.572 . 0 0 "[ . 1 . 2]" 1
27 1 8 MET H 1 8 MET HG2 3.800 . 4.300 2.203 1.812 2.719 . 0 0 "[ . 1 . 2]" 1
28 1 8 MET H 1 8 MET HB2 3.800 . 4.300 2.536 2.263 2.734 . 0 0 "[ . 1 . 2]" 1
29 1 8 MET H 1 8 MET HB3 3.800 . 4.300 3.571 3.539 3.593 . 0 0 "[ . 1 . 2]" 1
30 1 7 ALA MB 1 8 MET H 3.800 . 4.300 2.409 2.221 2.556 . 0 0 "[ . 1 . 2]" 1
31 1 8 MET H 1 8 MET ME 4.500 . 5.000 4.136 4.036 4.332 . 0 0 "[ . 1 . 2]" 1
32 1 8 MET HB3 1 9 GLU H 4.500 . 5.000 3.718 3.311 3.948 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLU HA 1 9 GLU H 4.500 . 5.000 4.510 4.160 4.864 . 0 0 "[ . 1 . 2]" 1
34 1 6 THR HA 1 9 GLU H 3.800 . 4.300 3.526 3.376 3.670 . 0 0 "[ . 1 . 2]" 1
35 1 88 PHE H 1 88 PHE HB3 3.800 . 4.300 3.279 2.488 3.957 . 0 0 "[ . 1 . 2]" 1
36 1 87 ASN HB2 1 88 PHE H 5.200 . 5.700 4.083 3.240 4.632 . 0 0 "[ . 1 . 2]" 1
37 1 87 ASN HB3 1 88 PHE H 5.200 . 5.700 4.068 1.927 4.535 . 0 0 "[ . 1 . 2]" 1
38 1 88 PHE H 1 88 PHE HB2 3.800 . 4.300 2.612 2.286 3.350 . 0 0 "[ . 1 . 2]" 1
39 1 9 GLU H 1 9 GLU HG3 3.800 . 4.300 2.700 2.042 3.648 . 0 0 "[ . 1 . 2]" 1
40 1 9 GLU H 1 9 GLU HB2 3.800 . 4.300 2.426 2.369 2.522 . 0 0 "[ . 1 . 2]" 1
41 1 9 GLU H 1 9 GLU HB3 3.800 . 4.300 3.583 3.574 3.589 . 0 0 "[ . 1 . 2]" 1
42 1 9 GLU H 1 9 GLU HG2 3.800 . 4.300 3.023 2.158 3.604 . 0 0 "[ . 1 . 2]" 1
43 1 7 ALA MB 1 9 GLU H 4.500 . 5.000 4.406 4.302 4.548 . 0 0 "[ . 1 . 2]" 1
44 1 10 THR H 1 10 THR HB 3.800 . 4.300 2.500 2.387 2.584 . 0 0 "[ . 1 . 2]" 1
45 1 7 ALA HA 1 10 THR H 3.800 . 4.300 3.450 3.235 3.644 . 0 0 "[ . 1 . 2]" 1
46 1 10 THR H 1 11 LEU HG 5.200 . 5.700 4.695 4.561 4.861 . 0 0 "[ . 1 . 2]" 1
47 1 10 THR H 1 12 ILE HG13 5.200 . 5.700 5.434 5.147 5.704 0.004 4 0 "[ . 1 . 2]" 1
48 1 9 GLU HB2 1 10 THR H 3.800 . 4.300 2.791 2.680 2.924 . 0 0 "[ . 1 . 2]" 1
49 1 9 GLU HB3 1 10 THR H 4.500 . 5.000 3.722 3.613 3.827 . 0 0 "[ . 1 . 2]" 1
50 1 10 THR H 1 10 THR MG 3.800 . 4.300 3.746 3.733 3.759 . 0 0 "[ . 1 . 2]" 1
51 1 6 THR MG 1 10 THR H 4.500 . 5.000 4.395 4.048 4.766 . 0 0 "[ . 1 . 2]" 1
52 1 11 LEU H 1 12 ILE HB 5.200 . 5.700 4.892 4.677 4.984 . 0 0 "[ . 1 . 2]" 1
53 1 10 THR HB 1 11 LEU H 3.800 . 4.300 2.512 2.414 2.619 . 0 0 "[ . 1 . 2]" 1
54 1 11 LEU H 1 11 LEU HB2 3.800 . 4.300 2.369 2.286 2.424 . 0 0 "[ . 1 . 2]" 1
55 1 11 LEU H 1 11 LEU HG 4.500 . 5.000 2.417 2.279 2.674 . 0 0 "[ . 1 . 2]" 1
56 1 11 LEU H 1 11 LEU QD . . 4.300 3.000 2.954 3.093 . 0 0 "[ . 1 . 2]" 1
57 1 8 MET HA 1 11 LEU H 3.800 . 4.300 3.410 3.166 3.690 . 0 0 "[ . 1 . 2]" 1
58 1 7 ALA HA 1 11 LEU H 4.500 . 5.000 4.600 4.128 4.954 . 0 0 "[ . 1 . 2]" 1
59 1 11 LEU H 1 11 LEU HB3 3.800 . 4.300 3.572 3.552 3.581 . 0 0 "[ . 1 . 2]" 1
60 1 10 THR MG 1 11 LEU H 3.800 . 4.300 3.389 3.263 3.596 . 0 0 "[ . 1 . 2]" 1
61 1 8 MET ME 1 11 LEU H 5.200 . 5.700 5.009 4.761 5.359 . 0 0 "[ . 1 . 2]" 1
62 1 76 VAL HA 1 80 ALA H 4.500 . 5.000 4.596 4.342 4.807 . 0 0 "[ . 1 . 2]" 1
63 1 11 LEU QD 1 12 ILE H 4.500 . 5.000 4.049 3.981 4.271 . 0 0 "[ . 1 . 2]" 1
64 1 11 LEU HB3 1 12 ILE H 4.500 . 5.000 3.517 3.308 3.806 . 0 0 "[ . 1 . 2]" 1
65 1 11 LEU HA 1 12 ILE H 3.800 . 4.300 3.542 3.472 3.560 . 0 0 "[ . 1 . 2]" 1
66 1 12 ILE H 1 12 ILE HB 3.800 . 4.300 2.482 2.403 2.524 . 0 0 "[ . 1 . 2]" 1
67 1 12 ILE H 1 12 ILE HG13 3.800 . 4.300 2.176 2.023 3.357 . 0 0 "[ . 1 . 2]" 1
68 1 12 ILE H 1 12 ILE HG12 3.800 . 4.300 3.417 2.257 3.707 . 0 0 "[ . 1 . 2]" 1
69 1 12 ILE H 1 12 ILE MD 3.800 . 4.300 3.426 3.261 3.736 . 0 0 "[ . 1 . 2]" 1
70 1 8 MET ME 1 12 ILE H 5.200 . 5.700 5.223 4.768 5.708 0.008 1 0 "[ . 1 . 2]" 1
71 1 12 ILE H 1 12 ILE MG 4.500 . 5.000 3.746 3.739 3.752 . 0 0 "[ . 1 . 2]" 1
72 1 11 LEU HB2 1 12 ILE H 4.500 . 5.000 2.659 2.538 3.066 . 0 0 "[ . 1 . 2]" 1
73 1 12 ILE MD 1 13 ASN H 4.500 . 5.000 4.584 4.468 4.891 . 0 0 "[ . 1 . 2]" 1
74 1 12 ILE MG 1 13 ASN H 4.500 . 5.000 3.588 3.475 3.740 . 0 0 "[ . 1 . 2]" 1
75 1 11 LEU HA 1 13 ASN H 4.500 . 5.000 4.245 4.013 4.427 . 0 0 "[ . 1 . 2]" 1
76 1 12 ILE HB 1 13 ASN H 3.800 . 4.300 2.795 2.640 3.035 . 0 0 "[ . 1 . 2]" 1
77 1 13 ASN H 1 13 ASN HB3 3.800 . 4.300 2.924 2.434 3.586 . 0 0 "[ . 1 . 2]" 1
78 1 10 THR HA 1 13 ASN H 3.800 . 4.300 3.426 3.310 3.610 . 0 0 "[ . 1 . 2]" 1
79 1 13 ASN H 1 13 ASN HB2 3.800 . 4.300 2.471 2.323 3.611 . 0 0 "[ . 1 . 2]" 1
80 1 10 THR MG 1 13 ASN H 4.500 . 5.000 4.516 4.328 4.616 . 0 0 "[ . 1 . 2]" 1
81 1 10 THR HA 1 13 ASN HD21 4.500 . 5.000 3.955 1.765 4.941 0.035 19 0 "[ . 1 . 2]" 1
82 1 13 ASN HB3 1 14 VAL H 3.800 . 4.300 2.782 2.198 3.732 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU HA 1 14 VAL H 4.500 . 5.000 3.652 3.469 3.881 . 0 0 "[ . 1 . 2]" 1
84 1 10 THR HA 1 14 VAL H 4.500 . 5.000 4.363 3.950 4.705 . 0 0 "[ . 1 . 2]" 1
85 1 13 ASN HB2 1 14 VAL H 3.800 . 4.300 3.351 2.437 3.925 . 0 0 "[ . 1 . 2]" 1
86 1 14 VAL H 1 14 VAL HB 3.800 . 4.300 2.507 2.367 3.599 . 0 0 "[ . 1 . 2]" 1
87 1 14 VAL H 1 17 ALA MB 4.500 . 5.000 4.669 4.245 5.009 0.009 8 0 "[ . 1 . 2]" 1
88 1 57 VAL HA 1 60 GLU H 3.800 . 4.300 3.425 3.285 3.916 . 0 0 "[ . 1 . 2]" 1
89 1 56 LYS HA 1 60 GLU H 4.500 . 5.000 4.329 4.086 4.451 . 0 0 "[ . 1 . 2]" 1
90 1 58 MET HA 1 60 GLU H 4.500 . 5.000 4.150 3.981 4.452 . 0 0 "[ . 1 . 2]" 1
91 1 59 LYS HD2 1 60 GLU H 4.500 . 5.000 3.423 2.716 3.794 . 0 0 "[ . 1 . 2]" 1
92 1 60 GLU H 1 60 GLU HB2 2.800 . 3.300 2.485 2.405 2.658 . 0 0 "[ . 1 . 2]" 1
93 1 60 GLU H 1 60 GLU HB3 2.800 . 3.300 2.589 2.419 2.680 . 0 0 "[ . 1 . 2]" 1
94 1 60 GLU H 1 61 LEU HG 4.500 . 5.000 4.100 3.845 4.401 . 0 0 "[ . 1 . 2]" 1
95 1 59 LYS HG2 1 60 GLU H 4.500 . 5.000 3.830 3.538 4.477 . 0 0 "[ . 1 . 2]" 1
96 1 59 LYS HG3 1 60 GLU H 4.500 . 5.000 2.200 1.798 4.843 0.002 9 0 "[ . 1 . 2]" 1
97 1 14 VAL HB 1 15 PHE H 4.500 . 5.000 2.647 2.341 3.824 . 0 0 "[ . 1 . 2]" 1
98 1 15 PHE H 1 15 PHE HB2 3.800 . 4.300 2.483 2.304 2.586 . 0 0 "[ . 1 . 2]" 1
99 1 15 PHE H 1 15 PHE HB3 3.800 . 4.300 2.589 2.478 2.782 . 0 0 "[ . 1 . 2]" 1
100 1 15 PHE HB2 1 16 HIS H 4.500 . 5.000 3.777 3.605 3.907 . 0 0 "[ . 1 . 2]" 1
101 1 16 HIS H 1 16 HIS HB2 3.800 . 4.300 2.512 2.334 2.637 . 0 0 "[ . 1 . 2]" 1
102 1 16 HIS H 1 16 HIS HB3 3.800 . 4.300 2.561 2.434 2.747 . 0 0 "[ . 1 . 2]" 1
103 1 16 HIS H 1 17 ALA MB 4.500 . 5.000 4.295 4.212 4.382 . 0 0 "[ . 1 . 2]" 1
104 1 13 ASN HA 1 16 HIS H 4.500 . 5.000 3.805 3.632 4.066 . 0 0 "[ . 1 . 2]" 1
105 1 15 PHE HB3 1 16 HIS H 4.500 . 5.000 2.457 2.111 2.609 . 0 0 "[ . 1 . 2]" 1
106 1 14 VAL HA 1 17 ALA H 3.800 . 4.300 3.479 3.313 3.730 . 0 0 "[ . 1 . 2]" 1
107 1 13 ASN HA 1 17 ALA H 4.500 . 5.000 4.473 3.990 4.829 . 0 0 "[ . 1 . 2]" 1
108 1 17 ALA H 1 18 HIS HB2 5.200 . 5.700 4.880 4.581 5.395 . 0 0 "[ . 1 . 2]" 1
109 1 16 HIS HB2 1 17 ALA H 4.500 . 5.000 4.029 3.878 4.181 . 0 0 "[ . 1 . 2]" 1
110 1 16 HIS HB3 1 17 ALA H 4.500 . 5.000 2.911 2.569 3.194 . 0 0 "[ . 1 . 2]" 1
111 1 17 ALA H 1 17 ALA MB 2.800 . 3.300 2.198 2.167 2.241 . 0 0 "[ . 1 . 2]" 1
112 1 17 ALA HA 1 18 HIS H 3.800 . 4.300 3.556 3.523 3.577 . 0 0 "[ . 1 . 2]" 1
113 1 18 HIS H 1 18 HIS HB2 3.800 . 4.300 2.390 2.297 2.550 . 0 0 "[ . 1 . 2]" 1
114 1 17 ALA MB 1 18 HIS H 3.800 . 4.300 2.426 2.132 2.637 . 0 0 "[ . 1 . 2]" 1
115 1 18 HIS H 1 19 SER HA 4.500 . 5.000 4.843 4.627 5.005 0.005 6 0 "[ . 1 . 2]" 1
116 1 16 HIS HA 1 18 HIS H 4.500 . 5.000 4.466 3.908 4.700 . 0 0 "[ . 1 . 2]" 1
117 1 19 SER HA 1 20 GLY H 3.800 . 4.300 3.500 3.454 3.555 . 0 0 "[ . 1 . 2]" 1
118 1 20 GLY H 1 25 LYS HA 4.500 . 5.000 4.723 3.985 5.007 0.007 17 0 "[ . 1 . 2]" 1
119 1 21 LYS H 1 21 LYS HG2 4.500 . 5.000 3.826 2.558 5.010 0.010 8 0 "[ . 1 . 2]" 1
120 1 21 LYS H 1 21 LYS HG3 4.500 . 5.000 3.333 2.168 4.803 . 0 0 "[ . 1 . 2]" 1
121 1 22 GLU HG2 1 23 GLY H 4.500 . 5.000 3.744 2.090 4.977 . 0 0 "[ . 1 . 2]" 1
122 1 22 GLU HG3 1 23 GLY H 4.500 . 5.000 4.064 2.666 5.008 0.008 13 0 "[ . 1 . 2]" 1
123 1 22 GLU HB3 1 23 GLY H 4.500 . 5.000 3.312 1.790 4.414 0.010 20 0 "[ . 1 . 2]" 1
124 1 22 GLU HA 1 23 GLY H 3.800 . 4.300 2.952 2.150 3.576 . 0 0 "[ . 1 . 2]" 1
125 1 22 GLU HB2 1 23 GLY H 4.500 . 5.000 3.590 1.869 4.660 . 0 0 "[ . 1 . 2]" 1
126 1 23 GLY HA2 1 24 ASP H 3.800 . 4.300 3.110 2.505 3.564 . 0 0 "[ . 1 . 2]" 1
127 1 23 GLY HA3 1 24 ASP H 3.800 . 4.300 2.635 2.146 3.571 . 0 0 "[ . 1 . 2]" 1
128 1 25 LYS H 1 25 LYS HB3 3.800 . 4.300 3.165 2.586 4.059 . 0 0 "[ . 1 . 2]" 1
129 1 25 LYS H 1 25 LYS HB2 3.800 . 4.300 3.074 2.348 3.946 . 0 0 "[ . 1 . 2]" 1
130 1 25 LYS H 1 25 LYS HG3 4.500 . 5.000 3.596 2.197 4.782 . 0 0 "[ . 1 . 2]" 1
131 1 24 ASP HA 1 25 LYS H 3.800 . 4.300 2.448 2.144 3.320 . 0 0 "[ . 1 . 2]" 1
132 1 25 LYS H 1 25 LYS HG2 4.500 . 5.000 3.513 1.808 4.768 . 0 0 "[ . 1 . 2]" 1
133 1 25 LYS HB3 1 26 TYR H 4.500 . 5.000 4.138 2.983 4.657 . 0 0 "[ . 1 . 2]" 1
134 1 25 LYS HB2 1 26 TYR H 4.500 . 5.000 4.154 3.223 4.671 . 0 0 "[ . 1 . 2]" 1
135 1 25 LYS HA 1 26 TYR H 3.800 . 4.300 3.062 2.376 3.470 . 0 0 "[ . 1 . 2]" 1
136 1 26 TYR H 1 26 TYR HB3 3.800 . 4.300 3.425 2.380 3.890 . 0 0 "[ . 1 . 2]" 1
137 1 26 TYR H 1 26 TYR HB2 3.800 . 4.300 3.001 2.409 4.067 . 0 0 "[ . 1 . 2]" 1
138 1 24 ASP HA 1 26 TYR H 4.500 . 5.000 3.825 2.953 4.769 . 0 0 "[ . 1 . 2]" 1
139 1 25 LYS HA 1 27 LYS H 4.500 . 5.000 4.176 3.579 4.762 . 0 0 "[ . 1 . 2]" 1
140 1 26 TYR HB2 1 27 LYS H 4.500 . 5.000 3.529 2.460 4.563 . 0 0 "[ . 1 . 2]" 1
141 1 27 LYS H 1 27 LYS HG2 4.500 . 5.000 3.244 1.954 4.552 . 0 0 "[ . 1 . 2]" 1
142 1 26 TYR HB3 1 27 LYS H 4.500 . 5.000 3.687 2.432 4.598 . 0 0 "[ . 1 . 2]" 1
143 1 28 LEU H 1 70 ASP HA 4.500 . 5.000 4.711 3.867 5.020 0.020 18 0 "[ . 1 . 2]" 1
144 1 27 LYS HD3 1 28 LEU H 4.500 . 5.000 4.567 3.337 5.010 0.010 2 0 "[ . 1 . 2]" 1
145 1 28 LEU H 1 28 LEU MD1 5.200 . 5.700 4.298 3.828 4.713 . 0 0 "[ . 1 . 2]" 1
146 1 28 LEU H 1 28 LEU MD2 5.200 . 5.700 4.097 2.932 4.449 . 0 0 "[ . 1 . 2]" 1
147 1 27 LYS HG3 1 28 LEU H 4.500 . 5.000 3.704 2.615 4.868 . 0 0 "[ . 1 . 2]" 1
148 1 27 LYS HA 1 28 LEU H 3.800 . 4.300 2.526 2.180 2.756 . 0 0 "[ . 1 . 2]" 1
149 1 28 LEU H 1 28 LEU HB3 3.800 . 4.300 3.046 2.520 3.649 . 0 0 "[ . 1 . 2]" 1
150 1 28 LEU H 1 28 LEU HB2 3.800 . 4.300 2.747 2.240 3.069 . 0 0 "[ . 1 . 2]" 1
151 1 27 LYS HD2 1 28 LEU H 4.500 . 5.000 4.261 3.549 5.012 0.012 12 0 "[ . 1 . 2]" 1
152 1 27 LYS HG2 1 28 LEU H 4.500 . 5.000 4.113 2.314 5.017 0.017 20 0 "[ . 1 . 2]" 1
153 1 28 LEU H 1 69 VAL QG 4.500 . 5.000 3.769 2.658 4.377 . 0 0 "[ . 1 . 2]" 1
154 1 28 LEU HB2 1 29 SER H 4.500 . 5.000 4.474 4.131 4.606 . 0 0 "[ . 1 . 2]" 1
155 1 28 LEU HB3 1 29 SER H 4.500 . 5.000 3.959 2.889 4.226 . 0 0 "[ . 1 . 2]" 1
156 1 29 SER H 1 32 GLN HB3 4.500 . 5.000 4.691 3.682 5.007 0.007 3 0 "[ . 1 . 2]" 1
157 1 29 SER H 1 32 GLN HB2 4.500 . 5.000 3.207 2.163 3.624 . 0 0 "[ . 1 . 2]" 1
158 1 29 SER H 1 68 GLU HA 5.200 . 5.700 5.071 4.755 5.360 . 0 0 "[ . 1 . 2]" 1
159 1 29 SER H 1 69 VAL QG 4.500 . 5.000 4.713 4.402 4.920 . 0 0 "[ . 1 . 2]" 1
160 1 31 LYS H 1 31 LYS HB2 3.800 . 4.300 2.536 2.328 3.578 . 0 0 "[ . 1 . 2]" 1
161 1 31 LYS H 1 31 LYS HB3 3.800 . 4.300 2.672 2.533 2.820 . 0 0 "[ . 1 . 2]" 1
162 1 31 LYS H 1 31 LYS HD2 5.200 . 5.700 4.676 4.325 4.978 . 0 0 "[ . 1 . 2]" 1
163 1 31 LYS H 1 31 LYS HD3 5.200 . 5.700 4.916 3.996 5.713 0.013 6 0 "[ . 1 . 2]" 1
164 1 29 SER HB3 1 30 LYS H 4.500 . 5.000 3.840 2.668 4.225 . 0 0 "[ . 1 . 2]" 1
165 1 29 SER HB2 1 30 LYS H 4.500 . 5.000 3.643 2.603 4.175 . 0 0 "[ . 1 . 2]" 1
166 1 29 SER HA 1 30 LYS H 3.800 . 4.300 2.270 2.175 2.358 . 0 0 "[ . 1 . 2]" 1
167 1 30 LYS H 1 68 GLU HA 3.800 . 4.300 2.811 2.124 3.210 . 0 0 "[ . 1 . 2]" 1
168 1 30 LYS H 1 68 GLU HB2 5.200 . 5.700 5.115 4.497 5.617 . 0 0 "[ . 1 . 2]" 1
169 1 30 LYS H 1 68 GLU HB3 5.200 . 5.700 4.494 3.995 5.014 . 0 0 "[ . 1 . 2]" 1
170 1 30 LYS H 1 30 LYS HB3 3.800 . 4.300 3.531 2.570 3.617 . 0 0 "[ . 1 . 2]" 1
171 1 30 LYS H 1 30 LYS HB2 3.800 . 4.300 2.428 2.307 2.615 . 0 0 "[ . 1 . 2]" 1
172 1 30 LYS H 1 69 VAL QG 4.500 . 5.000 3.862 3.128 4.244 . 0 0 "[ . 1 . 2]" 1
173 1 37 LEU H 1 37 LEU HB2 3.800 . 4.300 2.240 2.174 2.348 . 0 0 "[ . 1 . 2]" 1
174 1 37 LEU H 1 37 LEU HB3 3.800 . 4.300 2.875 2.741 2.980 . 0 0 "[ . 1 . 2]" 1
175 1 36 LEU HG 1 37 LEU H 4.500 . 5.000 3.355 2.113 3.752 . 0 0 "[ . 1 . 2]" 1
176 1 28 LEU HG 1 29 SER H 4.500 . 5.000 4.209 2.926 5.002 0.002 17 0 "[ . 1 . 2]" 1
177 1 36 LEU QD 1 37 LEU H . . 4.300 3.722 3.063 3.938 . 0 0 "[ . 1 . 2]" 1
178 1 31 LYS HB3 1 32 GLN H 4.500 . 5.000 2.668 2.368 4.104 . 0 0 "[ . 1 . 2]" 1
179 1 31 LYS HB2 1 32 GLN H 4.500 . 5.000 3.739 3.400 3.897 . 0 0 "[ . 1 . 2]" 1
180 1 32 GLN H 1 32 GLN HB3 3.800 . 4.300 3.599 3.579 3.628 . 0 0 "[ . 1 . 2]" 1
181 1 32 GLN H 1 32 GLN HB2 3.800 . 4.300 2.447 2.348 2.533 . 0 0 "[ . 1 . 2]" 1
182 1 31 LYS HG2 1 32 GLN H 4.500 . 5.000 3.909 2.926 4.642 . 0 0 "[ . 1 . 2]" 1
183 1 31 LYS HG3 1 32 GLN H 4.500 . 5.000 4.327 1.810 4.913 . 0 0 "[ . 1 . 2]" 1
184 1 31 LYS HD2 1 32 GLN H 5.200 . 5.700 5.149 2.902 5.564 . 0 0 "[ . 1 . 2]" 1
185 1 31 LYS HD3 1 32 GLN H 5.200 . 5.700 4.950 4.473 5.731 0.031 19 0 "[ . 1 . 2]" 1
186 1 33 LEU H 1 69 VAL QG 4.500 . 5.000 4.527 4.235 4.777 . 0 0 "[ . 1 . 2]" 1
187 1 30 LYS HA 1 33 LEU H 3.800 . 4.300 3.199 2.921 3.607 . 0 0 "[ . 1 . 2]" 1
188 1 33 LEU H 1 33 LEU HB2 3.800 . 4.300 2.437 2.164 2.588 . 0 0 "[ . 1 . 2]" 1
189 1 33 LEU H 1 33 LEU HB3 3.800 . 4.300 2.638 2.466 2.981 . 0 0 "[ . 1 . 2]" 1
190 1 32 GLN HB2 1 33 LEU H 4.500 . 5.000 2.865 2.621 3.075 . 0 0 "[ . 1 . 2]" 1
191 1 32 GLN HB3 1 33 LEU H 4.500 . 5.000 3.846 3.645 4.056 . 0 0 "[ . 1 . 2]" 1
192 1 33 LEU H 1 33 LEU QD 4.500 . 5.000 3.602 3.261 3.737 . 0 0 "[ . 1 . 2]" 1
193 1 31 LYS HA 1 33 LEU H 4.500 . 5.000 4.329 4.126 4.597 . 0 0 "[ . 1 . 2]" 1
194 1 33 LEU H 1 34 LYS HB3 4.500 . 5.000 4.828 4.697 5.026 0.026 19 0 "[ . 1 . 2]" 1
195 1 33 LEU HG 1 34 LYS H 4.500 . 5.000 4.001 3.430 4.997 . 0 0 "[ . 1 . 2]" 1
196 1 33 LEU QD 1 34 LYS H . . 4.300 3.801 3.083 4.076 . 0 0 "[ . 1 . 2]" 1
197 1 30 LYS HA 1 34 LYS H 4.500 . 5.000 4.263 3.634 4.700 . 0 0 "[ . 1 . 2]" 1
198 1 31 LYS HA 1 34 LYS H 4.500 . 5.000 3.897 3.618 4.379 . 0 0 "[ . 1 . 2]" 1
199 1 32 GLN HA 1 34 LYS H 5.200 . 5.700 4.221 3.900 5.014 . 0 0 "[ . 1 . 2]" 1
200 1 33 LEU HB2 1 34 LYS H 4.500 . 5.000 3.810 3.357 3.979 . 0 0 "[ . 1 . 2]" 1
201 1 34 LYS H 1 34 LYS HB2 3.800 . 4.300 3.026 2.641 3.573 . 0 0 "[ . 1 . 2]" 1
202 1 34 LYS H 1 34 LYS HB3 3.800 . 4.300 2.362 2.293 2.417 . 0 0 "[ . 1 . 2]" 1
203 1 34 LYS H 1 34 LYS HD2 5.200 . 5.700 4.503 3.525 4.990 . 0 0 "[ . 1 . 2]" 1
204 1 34 LYS H 1 34 LYS HD3 5.200 . 5.700 4.742 3.811 5.047 . 0 0 "[ . 1 . 2]" 1
205 1 34 LYS H 1 61 LEU MD2 4.500 . 5.000 4.374 3.939 4.875 . 0 0 "[ . 1 . 2]" 1
206 1 34 LYS H 1 34 LYS HG2 3.800 . 4.300 3.620 2.466 4.371 0.071 17 0 "[ . 1 . 2]" 1
207 1 34 LYS H 1 61 LEU MD1 4.500 . 5.000 2.917 2.166 3.826 . 0 0 "[ . 1 . 2]" 1
208 1 34 LYS H 1 34 LYS HG3 4.500 . 5.000 4.213 3.789 4.478 . 0 0 "[ . 1 . 2]" 1
209 1 34 LYS HG2 1 35 GLU H 4.500 . 5.000 2.736 1.791 3.537 0.009 19 0 "[ . 1 . 2]" 1
210 1 34 LYS HG3 1 35 GLU H 4.500 . 5.000 3.602 2.318 4.479 . 0 0 "[ . 1 . 2]" 1
211 1 32 GLN HA 1 35 GLU H 4.500 . 5.000 3.496 3.247 3.790 . 0 0 "[ . 1 . 2]" 1
212 1 33 LEU HA 1 35 GLU H 4.500 . 5.000 4.295 3.976 4.973 . 0 0 "[ . 1 . 2]" 1
213 1 35 GLU H 1 35 GLU HG3 4.500 . 5.000 3.215 2.058 4.658 . 0 0 "[ . 1 . 2]" 1
214 1 35 GLU H 1 35 GLU HG2 4.500 . 5.000 3.829 3.255 4.451 . 0 0 "[ . 1 . 2]" 1
215 1 34 LYS HB2 1 35 GLU H 4.500 . 5.000 3.900 3.665 4.130 . 0 0 "[ . 1 . 2]" 1
216 1 34 LYS HB3 1 35 GLU H 4.500 . 5.000 3.048 2.165 3.940 . 0 0 "[ . 1 . 2]" 1
217 1 36 LEU H 1 36 LEU HG 4.500 . 5.000 4.305 2.498 4.434 . 0 0 "[ . 1 . 2]" 1
218 1 32 GLN HA 1 36 LEU H 4.500 . 5.000 4.292 3.769 4.611 . 0 0 "[ . 1 . 2]" 1
219 1 33 LEU HA 1 36 LEU H 3.800 . 4.300 3.318 3.098 3.651 . 0 0 "[ . 1 . 2]" 1
220 1 36 LEU H 1 36 LEU HB2 3.800 . 4.300 2.665 2.571 3.594 . 0 0 "[ . 1 . 2]" 1
221 1 36 LEU H 1 36 LEU HB3 3.800 . 4.300 2.450 2.389 2.498 . 0 0 "[ . 1 . 2]" 1
222 1 36 LEU H 1 36 LEU QD 4.500 . 5.000 3.648 2.909 3.750 . 0 0 "[ . 1 . 2]" 1
223 1 34 LYS HA 1 37 LEU H 4.500 . 5.000 3.891 3.573 4.258 . 0 0 "[ . 1 . 2]" 1
224 1 33 LEU HA 1 37 LEU H 4.500 . 5.000 3.669 3.251 3.974 . 0 0 "[ . 1 . 2]" 1
225 1 34 LYS HA 1 38 GLN H 4.500 . 5.000 4.274 3.763 4.927 . 0 0 "[ . 1 . 2]" 1
226 1 35 GLU HA 1 38 GLN H 4.500 . 5.000 3.804 3.496 4.211 . 0 0 "[ . 1 . 2]" 1
227 1 37 LEU HB2 1 38 GLN H 3.800 . 4.300 3.434 3.299 3.736 . 0 0 "[ . 1 . 2]" 1
228 1 37 LEU HB3 1 38 GLN H 3.800 . 4.300 2.217 2.002 2.654 . 0 0 "[ . 1 . 2]" 1
229 1 38 GLN H 1 38 GLN HG2 3.800 . 4.300 2.458 1.825 4.356 0.056 12 0 "[ . 1 . 2]" 1
230 1 38 GLN H 1 38 GLN HG3 3.800 . 4.300 3.215 1.830 4.425 0.125 2 0 "[ . 1 . 2]" 1
231 1 38 GLN H 1 38 GLN HB3 3.800 . 4.300 2.752 2.368 3.574 . 0 0 "[ . 1 . 2]" 1
232 1 38 GLN H 1 38 GLN HB2 3.800 . 4.300 3.271 2.641 3.606 . 0 0 "[ . 1 . 2]" 1
233 1 37 LEU MD2 1 38 GLN H 4.500 . 5.000 3.904 3.658 4.350 . 0 0 "[ . 1 . 2]" 1
234 1 37 LEU MD1 1 38 GLN H 4.500 . 5.000 4.620 4.487 4.810 . 0 0 "[ . 1 . 2]" 1
235 1 38 GLN H 1 58 MET ME 4.500 . 5.000 3.631 3.102 4.119 . 0 0 "[ . 1 . 2]" 1
236 1 39 THR H 1 39 THR HB 3.800 . 4.300 2.557 2.399 2.782 . 0 0 "[ . 1 . 2]" 1
237 1 35 GLU HA 1 39 THR H 4.500 . 5.000 3.544 3.286 4.791 . 0 0 "[ . 1 . 2]" 1
238 1 37 LEU HA 1 39 THR H 4.500 . 5.000 4.784 4.537 4.957 . 0 0 "[ . 1 . 2]" 1
239 1 38 GLN HG2 1 39 THR H 3.800 . 4.300 2.784 1.788 4.323 0.023 18 0 "[ . 1 . 2]" 1
240 1 38 GLN HB3 1 39 THR H 4.500 . 5.000 3.627 2.469 3.979 . 0 0 "[ . 1 . 2]" 1
241 1 39 THR H 1 39 THR MG 3.800 . 4.300 3.676 2.244 3.763 . 0 0 "[ . 1 . 2]" 1
242 1 38 GLN HA 1 39 THR H 3.800 . 4.300 3.556 3.535 3.567 . 0 0 "[ . 1 . 2]" 1
243 1 38 GLN HG3 1 39 THR H 3.800 . 4.300 2.832 2.058 4.251 . 0 0 "[ . 1 . 2]" 1
244 1 38 GLN HB2 1 39 THR H 4.500 . 5.000 3.409 2.384 3.889 . 0 0 "[ . 1 . 2]" 1
245 1 37 LEU HA 1 40 GLU H 4.500 . 5.000 4.079 3.529 4.287 . 0 0 "[ . 1 . 2]" 1
246 1 39 THR HB 1 40 GLU H 3.800 . 4.300 2.573 2.335 3.763 . 0 0 "[ . 1 . 2]" 1
247 1 40 GLU H 1 40 GLU HG2 3.800 . 4.300 2.534 2.106 3.964 . 0 0 "[ . 1 . 2]" 1
248 1 40 GLU H 1 40 GLU HG3 4.500 . 5.000 3.588 2.551 3.833 . 0 0 "[ . 1 . 2]" 1
249 1 40 GLU H 1 40 GLU HB3 3.800 . 4.300 3.599 3.526 3.657 . 0 0 "[ . 1 . 2]" 1
250 1 39 THR MG 1 40 GLU H 3.800 . 4.300 3.180 1.803 3.698 . 0 0 "[ . 1 . 2]" 1
251 1 40 GLU H 1 40 GLU HB2 3.800 . 4.300 2.409 2.229 2.522 . 0 0 "[ . 1 . 2]" 1
252 1 41 LEU H 1 41 LEU HB2 3.800 . 4.300 2.426 2.247 2.568 . 0 0 "[ . 1 . 2]" 1
253 1 40 GLU HG2 1 41 LEU H 4.500 . 5.000 4.333 4.077 5.004 0.004 9 0 "[ . 1 . 2]" 1
254 1 41 LEU H 1 41 LEU HG 4.500 . 5.000 2.806 2.079 3.973 . 0 0 "[ . 1 . 2]" 1
255 1 41 LEU H 1 41 LEU MD1 4.500 . 5.000 3.287 1.935 3.898 . 0 0 "[ . 1 . 2]" 1
256 1 41 LEU H 1 41 LEU MD2 4.500 . 5.000 3.358 1.923 4.142 . 0 0 "[ . 1 . 2]" 1
257 1 41 LEU H 1 42 SER HA 4.500 . 5.000 4.782 4.640 4.910 . 0 0 "[ . 1 . 2]" 1
258 1 37 LEU HA 1 41 LEU H 4.500 . 5.000 4.067 3.515 4.345 . 0 0 "[ . 1 . 2]" 1
259 1 41 LEU HB2 1 42 SER H 4.500 . 5.000 3.967 3.538 4.329 . 0 0 "[ . 1 . 2]" 1
260 1 42 SER H 1 42 SER HB3 3.800 . 4.300 2.751 2.255 3.610 . 0 0 "[ . 1 . 2]" 1
261 1 42 SER H 1 42 SER HB2 3.800 . 4.300 2.856 2.358 3.615 . 0 0 "[ . 1 . 2]" 1
262 1 40 GLU HA 1 42 SER H 4.500 . 5.000 3.630 3.356 3.967 . 0 0 "[ . 1 . 2]" 1
263 1 41 LEU HA 1 42 SER H 3.800 . 4.300 3.031 2.693 3.279 . 0 0 "[ . 1 . 2]" 1
264 1 39 THR MG 1 42 SER H 5.200 . 5.700 4.954 4.481 5.445 . 0 0 "[ . 1 . 2]" 1
265 1 41 LEU HA 1 44 PHE H 4.500 . 5.000 3.179 2.838 3.668 . 0 0 "[ . 1 . 2]" 1
266 1 44 PHE H 1 44 PHE HB2 3.800 . 4.300 2.240 2.191 2.456 . 0 0 "[ . 1 . 2]" 1
267 1 41 LEU HB3 1 44 PHE H 4.500 . 5.000 3.842 3.479 4.292 . 0 0 "[ . 1 . 2]" 1
268 1 44 PHE H 1 44 PHE HB3 3.800 . 4.300 3.525 3.503 3.589 . 0 0 "[ . 1 . 2]" 1
269 1 45 LEU H 1 46 ASP HB2 4.500 . 5.000 4.855 4.692 5.009 0.009 20 0 "[ . 1 . 2]" 1
270 1 42 SER HA 1 45 LEU H 4.500 . 5.000 3.732 3.507 4.063 . 0 0 "[ . 1 . 2]" 1
271 1 45 LEU H 1 45 LEU HB2 3.800 . 4.300 2.362 2.222 2.556 . 0 0 "[ . 1 . 2]" 1
272 1 45 LEU H 1 45 LEU HB3 3.800 . 4.300 3.564 3.523 3.590 . 0 0 "[ . 1 . 2]" 1
273 1 44 PHE HB3 1 45 LEU H 3.800 . 4.300 3.374 3.036 3.636 . 0 0 "[ . 1 . 2]" 1
274 1 44 PHE HB2 1 45 LEU H 3.800 . 4.300 2.777 2.571 2.906 . 0 0 "[ . 1 . 2]" 1
275 1 45 LEU H 1 45 LEU HG 3.800 . 4.300 2.637 1.965 3.792 . 0 0 "[ . 1 . 2]" 1
276 1 45 LEU H 1 45 LEU MD2 4.500 . 5.000 3.622 1.801 3.986 . 0 0 "[ . 1 . 2]" 1
277 1 45 LEU H 1 45 LEU MD1 4.500 . 5.000 3.102 1.823 3.878 . 0 0 "[ . 1 . 2]" 1
278 1 42 SER HA 1 46 ASP H 4.500 . 5.000 4.783 4.525 5.008 0.008 5 0 "[ . 1 . 2]" 1
279 1 45 LEU HA 1 46 ASP H 3.800 . 4.300 3.481 3.395 3.530 . 0 0 "[ . 1 . 2]" 1
280 1 46 ASP H 1 46 ASP HB2 2.800 . 3.300 2.428 2.292 2.580 . 0 0 "[ . 1 . 2]" 1
281 1 45 LEU HB2 1 46 ASP H 4.500 . 5.000 2.986 2.738 3.237 . 0 0 "[ . 1 . 2]" 1
282 1 45 LEU HB3 1 46 ASP H 4.500 . 5.000 3.753 3.555 4.058 . 0 0 "[ . 1 . 2]" 1
283 1 44 PHE HA 1 46 ASP H 4.500 . 5.000 3.902 3.645 4.257 . 0 0 "[ . 1 . 2]" 1
284 1 44 PHE HA 1 47 ALA H 4.500 . 5.000 3.837 3.307 4.460 . 0 0 "[ . 1 . 2]" 1
285 1 46 ASP HA 1 47 ALA H 3.800 . 4.300 3.395 3.103 3.536 . 0 0 "[ . 1 . 2]" 1
286 1 46 ASP HB2 1 47 ALA H 4.500 . 5.000 3.633 2.684 4.418 . 0 0 "[ . 1 . 2]" 1
287 1 47 ALA H 1 48 GLN HG2 4.500 . 5.000 4.026 3.290 4.593 . 0 0 "[ . 1 . 2]" 1
288 1 45 LEU HA 1 47 ALA H 3.800 . 4.300 3.586 3.133 4.113 . 0 0 "[ . 1 . 2]" 1
289 1 47 ALA H 1 48 GLN HG3 4.500 . 5.000 3.374 2.466 4.999 . 0 0 "[ . 1 . 2]" 1
290 1 47 ALA HA 1 48 GLN H 2.800 . 3.300 2.393 2.144 3.505 0.205 12 0 "[ . 1 . 2]" 1
291 1 48 GLN H 1 48 GLN HB3 3.800 . 4.300 3.759 2.639 4.052 . 0 0 "[ . 1 . 2]" 1
292 1 48 GLN H 1 48 GLN HB2 3.800 . 4.300 2.978 2.512 3.725 . 0 0 "[ . 1 . 2]" 1
293 1 47 ALA MB 1 48 GLN H 4.500 . 5.000 3.251 1.747 3.708 0.053 9 0 "[ . 1 . 2]" 1
294 1 48 GLN H 1 85 CYS HA 5.200 . 5.700 5.187 3.495 5.691 . 0 0 "[ . 1 . 2]" 1
295 1 45 LEU HA 1 48 GLN HE21 4.500 . 5.000 3.397 2.005 4.807 . 0 0 "[ . 1 . 2]" 1
296 1 45 LEU HA 1 48 GLN HE22 4.500 . 5.000 3.694 2.928 4.749 . 0 0 "[ . 1 . 2]" 1
297 1 48 GLN HB3 1 49 LYS H 3.800 . 4.300 3.321 2.276 4.146 . 0 0 "[ . 1 . 2]" 1
298 1 49 LYS H 1 85 CYS HA 3.800 . 4.300 3.163 2.202 3.774 . 0 0 "[ . 1 . 2]" 1
299 1 48 GLN HA 1 49 LYS H 3.800 . 4.300 2.262 2.146 2.558 . 0 0 "[ . 1 . 2]" 1
300 1 49 LYS H 1 49 LYS HG2 4.500 . 5.000 4.069 2.187 4.957 . 0 0 "[ . 1 . 2]" 1
301 1 49 LYS H 1 49 LYS HG3 4.500 . 5.000 3.755 2.206 4.738 . 0 0 "[ . 1 . 2]" 1
302 1 49 LYS H 1 84 ALA MB 4.500 . 5.000 4.103 3.408 4.923 . 0 0 "[ . 1 . 2]" 1
303 1 83 VAL H 1 84 ALA MB 5.200 . 5.700 4.296 4.189 4.420 . 0 0 "[ . 1 . 2]" 1
304 1 83 VAL H 1 83 VAL HB 3.800 . 4.300 2.487 2.413 2.546 . 0 0 "[ . 1 . 2]" 1
305 1 83 VAL H 1 83 VAL MG1 4.500 . 5.000 3.745 3.732 3.752 . 0 0 "[ . 1 . 2]" 1
306 1 82 THR MG 1 83 VAL H 3.800 . 4.300 3.491 3.343 3.583 . 0 0 "[ . 1 . 2]" 1
307 1 79 ALA MB 1 83 VAL H 4.500 . 5.000 4.720 4.463 5.010 0.010 7 0 "[ . 1 . 2]" 1
308 1 80 ALA MB 1 83 VAL H 4.500 . 5.000 4.749 4.634 4.886 . 0 0 "[ . 1 . 2]" 1
309 1 72 GLN HA 1 76 VAL H 4.500 . 5.000 4.621 3.989 4.840 . 0 0 "[ . 1 . 2]" 1
310 1 73 GLU HA 1 76 VAL H 4.500 . 5.000 3.319 3.144 3.455 . 0 0 "[ . 1 . 2]" 1
311 1 76 VAL H 1 76 VAL HB 3.800 . 4.300 2.516 2.383 2.618 . 0 0 "[ . 1 . 2]" 1
312 1 75 VAL HB 1 76 VAL H 3.800 . 4.300 3.028 2.994 3.051 . 0 0 "[ . 1 . 2]" 1
313 1 48 GLN HB3 1 50 ASP H 4.500 . 5.000 3.455 2.649 5.006 0.006 3 0 "[ . 1 . 2]" 1
314 1 48 GLN HB2 1 50 ASP H 4.500 . 5.000 4.206 3.313 5.006 0.006 6 0 "[ . 1 . 2]" 1
315 1 49 LYS HG2 1 50 ASP H 5.200 . 5.700 4.520 3.657 5.504 . 0 0 "[ . 1 . 2]" 1
316 1 50 ASP H 1 85 CYS HA 4.500 . 5.000 4.600 3.562 5.006 0.006 11 0 "[ . 1 . 2]" 1
317 1 48 GLN HA 1 50 ASP H 4.500 . 5.000 3.817 3.077 4.586 . 0 0 "[ . 1 . 2]" 1
318 1 50 ASP H 1 84 ALA HA 4.500 . 5.000 4.083 3.215 4.736 . 0 0 "[ . 1 . 2]" 1
319 1 50 ASP H 1 50 ASP HB2 3.800 . 4.300 2.803 2.380 3.222 . 0 0 "[ . 1 . 2]" 1
320 1 50 ASP H 1 50 ASP HB3 3.800 . 4.300 3.300 2.545 3.934 . 0 0 "[ . 1 . 2]" 1
321 1 49 LYS HB2 1 50 ASP H 4.500 . 5.000 3.465 2.273 4.117 . 0 0 "[ . 1 . 2]" 1
322 1 49 LYS HB3 1 50 ASP H 4.500 . 5.000 3.262 2.374 4.251 . 0 0 "[ . 1 . 2]" 1
323 1 49 LYS HG3 1 50 ASP H 5.200 . 5.700 4.632 3.981 5.271 . 0 0 "[ . 1 . 2]" 1
324 1 50 ASP H 1 84 ALA MB 3.800 . 4.300 3.152 2.483 3.792 . 0 0 "[ . 1 . 2]" 1
325 1 50 ASP HA 1 51 VAL H 2.800 . 3.300 2.367 2.146 2.614 . 0 0 "[ . 1 . 2]" 1
326 1 51 VAL H 1 51 VAL HB 3.800 . 4.300 2.476 2.359 2.765 . 0 0 "[ . 1 . 2]" 1
327 1 72 GLN HB3 1 73 GLU H 4.500 . 5.000 3.919 3.337 4.053 . 0 0 "[ . 1 . 2]" 1
328 1 51 VAL HA 1 52 ASP H 3.800 . 4.300 3.466 3.359 3.532 . 0 0 "[ . 1 . 2]" 1
329 1 50 ASP HA 1 52 ASP H 4.500 . 5.000 3.283 2.973 3.634 . 0 0 "[ . 1 . 2]" 1
330 1 51 VAL HB 1 52 ASP H 3.800 . 4.300 3.902 2.782 4.178 . 0 0 "[ . 1 . 2]" 1
331 1 51 VAL HA 1 53 ALA H 4.500 . 5.000 4.103 3.977 4.250 . 0 0 "[ . 1 . 2]" 1
332 1 50 ASP HA 1 53 ALA H 4.500 . 5.000 4.349 3.881 4.807 . 0 0 "[ . 1 . 2]" 1
333 1 53 ALA H 1 54 VAL HB 4.500 . 5.000 4.751 4.619 4.909 . 0 0 "[ . 1 . 2]" 1
334 1 53 ALA H 1 84 ALA MB 4.500 . 5.000 4.373 3.952 4.618 . 0 0 "[ . 1 . 2]" 1
335 1 53 ALA H 1 53 ALA MB 2.800 . 3.300 2.217 2.151 2.256 . 0 0 "[ . 1 . 2]" 1
336 1 53 ALA H 1 54 VAL HA 5.200 . 5.700 5.178 5.074 5.335 . 0 0 "[ . 1 . 2]" 1
337 1 51 VAL HA 1 54 VAL H 3.800 . 4.300 3.136 2.959 3.335 . 0 0 "[ . 1 . 2]" 1
338 1 54 VAL H 1 54 VAL HB 2.800 . 3.300 2.527 2.438 2.766 . 0 0 "[ . 1 . 2]" 1
339 1 54 VAL H 1 84 ALA MB 4.500 . 5.000 3.826 3.398 4.250 . 0 0 "[ . 1 . 2]" 1
340 1 53 ALA MB 1 54 VAL H 3.800 . 4.300 2.590 2.256 2.858 . 0 0 "[ . 1 . 2]" 1
341 1 51 VAL HA 1 55 ASP H 4.500 . 5.000 3.960 3.437 4.380 . 0 0 "[ . 1 . 2]" 1
342 1 53 ALA HA 1 55 ASP H 4.500 . 5.000 4.365 3.940 4.637 . 0 0 "[ . 1 . 2]" 1
343 1 55 ASP H 1 55 ASP HB2 2.800 . 3.300 2.463 2.362 2.591 . 0 0 "[ . 1 . 2]" 1
344 1 55 ASP H 1 55 ASP HB3 3.800 . 4.300 2.710 2.485 3.590 . 0 0 "[ . 1 . 2]" 1
345 1 54 VAL HB 1 55 ASP H 3.800 . 4.300 2.650 2.384 3.025 . 0 0 "[ . 1 . 2]" 1
346 1 51 VAL MG1 1 55 ASP H 5.200 . 5.700 4.347 2.922 4.694 . 0 0 "[ . 1 . 2]" 1
347 1 51 VAL MG2 1 55 ASP H 5.200 . 5.700 3.534 2.890 4.828 . 0 0 "[ . 1 . 2]" 1
348 1 53 ALA MB 1 55 ASP H 4.500 . 5.000 4.525 4.207 4.742 . 0 0 "[ . 1 . 2]" 1
349 1 53 ALA HA 1 56 LYS H 4.500 . 5.000 3.528 3.055 4.068 . 0 0 "[ . 1 . 2]" 1
350 1 55 ASP HB3 1 56 LYS H 3.800 . 4.300 2.769 2.466 3.384 . 0 0 "[ . 1 . 2]" 1
351 1 56 LYS H 1 56 LYS HD2 4.500 . 5.000 4.586 3.958 4.958 . 0 0 "[ . 1 . 2]" 1
352 1 56 LYS H 1 56 LYS HD3 4.500 . 5.000 4.595 3.529 5.005 0.005 19 0 "[ . 1 . 2]" 1
353 1 56 LYS H 1 56 LYS HG2 4.500 . 5.000 3.665 2.311 4.463 . 0 0 "[ . 1 . 2]" 1
354 1 56 LYS H 1 56 LYS HG3 4.500 . 5.000 3.716 2.103 4.468 . 0 0 "[ . 1 . 2]" 1
355 1 54 VAL HA 1 57 VAL H 3.800 . 4.300 3.566 3.311 3.809 . 0 0 "[ . 1 . 2]" 1
356 1 55 ASP HA 1 57 VAL H 4.500 . 5.000 4.127 3.951 4.384 . 0 0 "[ . 1 . 2]" 1
357 1 57 VAL H 1 58 MET HG2 4.500 . 5.000 4.239 3.949 4.493 . 0 0 "[ . 1 . 2]" 1
358 1 57 VAL H 1 57 VAL HB 3.800 . 4.300 2.608 2.373 3.630 . 0 0 "[ . 1 . 2]" 1
359 1 56 LYS HD2 1 57 VAL H 5.200 . 5.700 5.360 4.800 5.703 0.003 19 0 "[ . 1 . 2]" 1
360 1 56 LYS HD3 1 57 VAL H 5.200 . 5.700 5.036 4.268 5.707 0.007 17 0 "[ . 1 . 2]" 1
361 1 56 LYS HG3 1 57 VAL H 4.500 . 5.000 4.116 2.643 4.833 . 0 0 "[ . 1 . 2]" 1
362 1 56 LYS HG2 1 57 VAL H 4.500 . 5.000 3.644 1.900 5.005 0.005 8 0 "[ . 1 . 2]" 1
363 1 57 VAL H 1 57 VAL MG1 4.500 . 5.000 3.518 2.178 3.765 . 0 0 "[ . 1 . 2]" 1
364 1 57 VAL H 1 57 VAL MG2 4.500 . 5.000 2.254 1.807 2.447 . 0 0 "[ . 1 . 2]" 1
365 1 55 ASP HA 1 58 MET H 3.800 . 4.300 3.230 3.033 3.694 . 0 0 "[ . 1 . 2]" 1
366 1 58 MET H 1 58 MET HG2 3.800 . 4.300 2.279 1.858 2.577 . 0 0 "[ . 1 . 2]" 1
367 1 57 VAL HB 1 58 MET H 3.800 . 4.300 2.814 2.223 3.935 . 0 0 "[ . 1 . 2]" 1
368 1 57 VAL MG1 1 58 MET H 3.800 . 4.300 3.466 2.729 3.904 . 0 0 "[ . 1 . 2]" 1
369 1 57 VAL MG2 1 58 MET H 3.800 . 4.300 3.604 2.054 3.966 . 0 0 "[ . 1 . 2]" 1
370 1 58 MET H 1 58 MET ME 3.800 . 4.300 3.905 3.686 4.115 . 0 0 "[ . 1 . 2]" 1
371 1 59 LYS H 1 60 GLU HB3 4.500 . 5.000 4.880 4.681 5.012 0.012 2 0 "[ . 1 . 2]" 1
372 1 56 LYS HA 1 59 LYS H 4.500 . 5.000 3.890 3.450 4.052 . 0 0 "[ . 1 . 2]" 1
373 1 55 ASP HA 1 59 LYS H 4.500 . 5.000 3.653 3.379 4.072 . 0 0 "[ . 1 . 2]" 1
374 1 58 MET HG2 1 59 LYS H 4.500 . 5.000 4.355 4.050 4.504 . 0 0 "[ . 1 . 2]" 1
375 1 59 LYS H 1 59 LYS HB3 2.800 . 3.300 2.472 2.365 2.696 . 0 0 "[ . 1 . 2]" 1
376 1 59 LYS H 1 59 LYS HG3 3.800 . 4.300 2.450 2.086 4.443 0.143 2 0 "[ . 1 . 2]" 1
377 1 59 LYS H 1 59 LYS HG2 3.800 . 4.300 3.225 3.062 4.270 . 0 0 "[ . 1 . 2]" 1
378 1 57 VAL HA 1 59 LYS H 4.500 . 5.000 4.540 4.161 4.744 . 0 0 "[ . 1 . 2]" 1
379 1 59 LYS H 1 59 LYS HD2 4.500 . 5.000 4.422 4.217 4.644 . 0 0 "[ . 1 . 2]" 1
380 1 59 LYS H 1 60 GLU HB2 5.200 . 5.700 4.773 4.651 5.220 . 0 0 "[ . 1 . 2]" 1
381 1 57 VAL HA 1 61 LEU H 4.500 . 5.000 4.565 4.171 5.013 0.013 2 0 "[ . 1 . 2]" 1
382 1 61 LEU H 1 61 LEU HB3 3.800 . 4.300 3.596 3.576 3.609 . 0 0 "[ . 1 . 2]" 1
383 1 60 GLU HB3 1 61 LEU H 3.800 . 4.300 2.531 2.323 2.659 . 0 0 "[ . 1 . 2]" 1
384 1 61 LEU H 1 61 LEU HG 3.800 . 4.300 1.945 1.794 2.116 0.006 5 0 "[ . 1 . 2]" 1
385 1 61 LEU H 1 61 LEU MD2 3.800 . 4.300 3.026 2.553 3.583 . 0 0 "[ . 1 . 2]" 1
386 1 61 LEU H 1 61 LEU MD1 3.800 . 4.300 3.464 3.113 3.580 . 0 0 "[ . 1 . 2]" 1
387 1 61 LEU H 1 61 LEU HB2 3.800 . 4.300 2.608 2.522 2.740 . 0 0 "[ . 1 . 2]" 1
388 1 62 ASP H 1 63 GLU HB2 4.500 . 5.000 4.825 4.688 4.941 . 0 0 "[ . 1 . 2]" 1
389 1 61 LEU HG 1 62 ASP H 4.500 . 5.000 4.049 3.795 4.231 . 0 0 "[ . 1 . 2]" 1
390 1 61 LEU MD2 1 62 ASP H 4.500 . 5.000 4.543 4.301 4.836 . 0 0 "[ . 1 . 2]" 1
391 1 61 LEU MD1 1 62 ASP H 4.500 . 5.000 4.591 4.382 4.746 . 0 0 "[ . 1 . 2]" 1
392 1 59 LYS HA 1 62 ASP H 3.800 . 4.300 3.182 3.040 3.516 . 0 0 "[ . 1 . 2]" 1
393 1 59 LYS HD2 1 62 ASP H 5.200 . 5.700 5.094 4.867 5.247 . 0 0 "[ . 1 . 2]" 1
394 1 60 GLU HB3 1 62 ASP H 5.200 . 5.700 4.806 4.623 4.926 . 0 0 "[ . 1 . 2]" 1
395 1 62 ASP HB2 1 63 GLU H 4.500 . 5.000 3.761 3.655 3.847 . 0 0 "[ . 1 . 2]" 1
396 1 62 ASP HB3 1 63 GLU H 4.500 . 5.000 2.608 2.403 2.739 . 0 0 "[ . 1 . 2]" 1
397 1 63 GLU H 1 63 GLU HG2 3.800 . 4.300 3.103 1.875 3.953 . 0 0 "[ . 1 . 2]" 1
398 1 63 GLU H 1 63 GLU HG3 3.800 . 4.300 2.639 2.016 3.809 . 0 0 "[ . 1 . 2]" 1
399 1 63 GLU H 1 63 GLU HB2 2.800 . 3.300 2.442 2.231 2.658 . 0 0 "[ . 1 . 2]" 1
400 1 63 GLU HG2 1 64 ASN H 4.500 . 5.000 4.587 4.098 5.003 0.003 14 0 "[ . 1 . 2]" 1
401 1 63 GLU HG3 1 64 ASN H 4.500 . 5.000 4.365 4.081 5.007 0.007 4 0 "[ . 1 . 2]" 1
402 1 60 GLU HA 1 64 ASN H 5.200 . 5.700 4.913 4.270 5.661 . 0 0 "[ . 1 . 2]" 1
403 1 64 ASN H 1 64 ASN HB3 3.800 . 4.300 3.633 3.579 3.697 . 0 0 "[ . 1 . 2]" 1
404 1 64 ASN H 1 64 ASN HB2 3.800 . 4.300 2.462 2.318 2.579 . 0 0 "[ . 1 . 2]" 1
405 1 63 GLU HB2 1 64 ASN H 3.800 . 4.300 2.242 1.820 2.822 . 0 0 "[ . 1 . 2]" 1
406 1 64 ASN HA 1 65 GLY H 3.800 . 4.300 2.435 2.146 3.560 . 0 0 "[ . 1 . 2]" 1
407 1 64 ASN HA 1 66 ASP H 4.500 . 5.000 3.920 3.306 4.286 . 0 0 "[ . 1 . 2]" 1
408 1 66 ASP H 1 66 ASP HB3 3.800 . 4.300 2.943 2.485 3.874 . 0 0 "[ . 1 . 2]" 1
409 1 66 ASP H 1 66 ASP HB2 3.800 . 4.300 2.885 2.385 3.639 . 0 0 "[ . 1 . 2]" 1
410 1 66 ASP HB3 1 67 GLY H 4.500 . 5.000 3.680 2.745 4.418 . 0 0 "[ . 1 . 2]" 1
411 1 66 ASP HB2 1 67 GLY H 4.500 . 5.000 3.836 2.759 4.420 . 0 0 "[ . 1 . 2]" 1
412 1 64 ASN HA 1 67 GLY H 4.500 . 5.000 4.554 4.083 4.975 . 0 0 "[ . 1 . 2]" 1
413 1 67 GLY HA2 1 68 GLU H 3.800 . 4.300 2.567 2.346 2.674 . 0 0 "[ . 1 . 2]" 1
414 1 67 GLY HA3 1 68 GLU H 3.800 . 4.300 2.590 2.485 2.841 . 0 0 "[ . 1 . 2]" 1
415 1 68 GLU H 1 68 GLU HG3 4.500 . 5.000 3.196 2.180 3.842 . 0 0 "[ . 1 . 2]" 1
416 1 68 GLU H 1 68 GLU HG2 4.500 . 5.000 2.738 2.149 4.391 . 0 0 "[ . 1 . 2]" 1
417 1 68 GLU HG3 1 69 VAL H 4.500 . 5.000 4.090 3.056 4.913 . 0 0 "[ . 1 . 2]" 1
418 1 69 VAL H 1 69 VAL QG 3.800 . 4.300 2.046 1.883 2.173 . 0 0 "[ . 1 . 2]" 1
419 1 29 SER HA 1 69 VAL H 3.800 . 4.300 3.947 3.531 4.310 0.010 12 0 "[ . 1 . 2]" 1
420 1 68 GLU HA 1 69 VAL H 2.800 . 3.300 2.436 2.194 2.632 . 0 0 "[ . 1 . 2]" 1
421 1 68 GLU HG2 1 69 VAL H 4.500 . 5.000 4.427 3.742 4.889 . 0 0 "[ . 1 . 2]" 1
422 1 70 ASP H 1 73 GLU HA 4.500 . 5.000 4.913 4.683 5.036 0.036 2 0 "[ . 1 . 2]" 1
423 1 70 ASP H 1 70 ASP HB2 3.800 . 4.300 2.592 2.409 3.075 . 0 0 "[ . 1 . 2]" 1
424 1 70 ASP H 1 70 ASP HB3 3.800 . 4.300 3.398 2.617 3.813 . 0 0 "[ . 1 . 2]" 1
425 1 69 VAL HA 1 70 ASP H 2.800 . 3.300 2.450 2.271 2.723 . 0 0 "[ . 1 . 2]" 1
426 1 70 ASP H 1 73 GLU HG3 4.500 . 5.000 2.697 1.880 3.069 . 0 0 "[ . 1 . 2]" 1
427 1 70 ASP H 1 73 GLU HG2 4.500 . 5.000 3.837 2.831 4.206 . 0 0 "[ . 1 . 2]" 1
428 1 69 VAL HB 1 70 ASP H 3.800 . 4.300 2.367 1.803 2.801 . 0 0 "[ . 1 . 2]" 1
429 1 70 ASP H 1 73 GLU HB2 3.800 . 4.300 2.230 1.829 2.723 . 0 0 "[ . 1 . 2]" 1
430 1 70 ASP H 1 73 GLU HB3 3.800 . 4.300 3.517 3.132 3.816 . 0 0 "[ . 1 . 2]" 1
431 1 69 VAL QG 1 70 ASP H 3.800 . 4.300 3.124 2.891 3.300 . 0 0 "[ . 1 . 2]" 1
432 1 70 ASP HA 1 71 PHE H 3.800 . 4.300 2.587 2.494 2.711 . 0 0 "[ . 1 . 2]" 1
433 1 70 ASP HB2 1 71 PHE H 3.800 . 4.300 3.421 3.158 3.802 . 0 0 "[ . 1 . 2]" 1
434 1 70 ASP HB3 1 71 PHE H 3.800 . 4.300 2.358 1.993 3.182 . 0 0 "[ . 1 . 2]" 1
435 1 71 PHE H 1 71 PHE HB2 3.800 . 4.300 2.664 2.600 2.711 . 0 0 "[ . 1 . 2]" 1
436 1 71 PHE H 1 71 PHE HB3 3.800 . 4.300 2.415 2.378 2.460 . 0 0 "[ . 1 . 2]" 1
437 1 72 GLN H 1 72 GLN HG3 3.800 . 4.300 2.953 1.916 3.346 . 0 0 "[ . 1 . 2]" 1
438 1 72 GLN H 1 73 GLU HB2 5.200 . 5.700 4.846 4.729 4.930 . 0 0 "[ . 1 . 2]" 1
439 1 70 ASP HA 1 72 GLN H 5.200 . 5.700 4.782 4.584 4.987 . 0 0 "[ . 1 . 2]" 1
440 1 70 ASP HB2 1 72 GLN H 4.500 . 5.000 3.855 3.242 4.905 . 0 0 "[ . 1 . 2]" 1
441 1 70 ASP HB3 1 72 GLN H 4.500 . 5.000 3.169 3.014 3.365 . 0 0 "[ . 1 . 2]" 1
442 1 71 PHE HB2 1 72 GLN H 4.500 . 5.000 3.845 3.759 3.946 . 0 0 "[ . 1 . 2]" 1
443 1 71 PHE HB3 1 72 GLN H 3.800 . 4.300 2.435 2.297 2.590 . 0 0 "[ . 1 . 2]" 1
444 1 72 GLN H 1 73 GLU HG3 5.200 . 5.700 4.840 4.483 5.716 0.016 4 0 "[ . 1 . 2]" 1
445 1 72 GLN H 1 72 GLN HG2 3.800 . 4.300 1.979 1.777 3.251 0.023 18 0 "[ . 1 . 2]" 1
446 1 72 GLN H 1 72 GLN HB3 3.800 . 4.300 2.750 2.554 3.590 . 0 0 "[ . 1 . 2]" 1
447 1 72 GLN HB2 1 72 GLN HE21 4.500 . 5.000 2.468 1.868 4.341 . 0 0 "[ . 1 . 2]" 1
448 1 72 GLN HB2 1 72 GLN HE22 4.500 . 5.000 3.730 3.461 4.560 . 0 0 "[ . 1 . 2]" 1
449 1 71 PHE HB3 1 73 GLU H 5.200 . 5.700 4.953 4.730 5.273 . 0 0 "[ . 1 . 2]" 1
450 1 73 GLU H 1 73 GLU HG3 3.800 . 4.300 2.522 2.161 3.367 . 0 0 "[ . 1 . 2]" 1
451 1 73 GLU H 1 73 GLU HG2 3.800 . 4.300 3.196 2.035 3.603 . 0 0 "[ . 1 . 2]" 1
452 1 72 GLN HG3 1 73 GLU H 3.800 . 4.300 2.196 1.793 4.192 0.007 4 0 "[ . 1 . 2]" 1
453 1 69 VAL HB 1 73 GLU H 4.500 . 5.000 4.579 4.454 4.657 . 0 0 "[ . 1 . 2]" 1
454 1 73 GLU H 1 73 GLU HB2 3.800 . 4.300 2.404 2.327 2.537 . 0 0 "[ . 1 . 2]" 1
455 1 73 GLU H 1 73 GLU HB3 3.800 . 4.300 3.578 3.561 3.600 . 0 0 "[ . 1 . 2]" 1
456 1 72 GLN HB2 1 73 GLU H 4.500 . 5.000 3.413 2.307 3.734 . 0 0 "[ . 1 . 2]" 1
457 1 71 PHE HA 1 74 TYR H 3.800 . 4.300 3.459 3.294 3.688 . 0 0 "[ . 1 . 2]" 1
458 1 74 TYR H 1 74 TYR HB3 3.800 . 4.300 2.305 2.170 2.447 . 0 0 "[ . 1 . 2]" 1
459 1 74 TYR H 1 74 TYR HB2 3.800 . 4.300 2.788 2.626 2.954 . 0 0 "[ . 1 . 2]" 1
460 1 69 VAL HB 1 74 TYR H 4.500 . 5.000 4.182 3.753 4.448 . 0 0 "[ . 1 . 2]" 1
461 1 73 GLU HB3 1 74 TYR H 4.500 . 5.000 3.578 3.467 3.695 . 0 0 "[ . 1 . 2]" 1
462 1 73 GLU HG3 1 74 TYR H 4.500 . 5.000 4.511 4.333 4.838 . 0 0 "[ . 1 . 2]" 1
463 1 73 GLU HB2 1 74 TYR H 3.800 . 4.300 2.684 2.481 2.845 . 0 0 "[ . 1 . 2]" 1
464 1 72 GLN HA 1 75 VAL H 3.800 . 4.300 3.327 3.163 3.445 . 0 0 "[ . 1 . 2]" 1
465 1 74 TYR HB3 1 75 VAL H 4.500 . 5.000 2.977 2.718 3.110 . 0 0 "[ . 1 . 2]" 1
466 1 74 TYR HB2 1 75 VAL H 4.500 . 5.000 4.176 4.000 4.271 . 0 0 "[ . 1 . 2]" 1
467 1 75 VAL H 1 75 VAL HB 3.800 . 4.300 2.328 2.309 2.346 . 0 0 "[ . 1 . 2]" 1
468 1 75 VAL H 1 75 VAL MG2 4.500 . 5.000 2.484 2.409 2.532 . 0 0 "[ . 1 . 2]" 1
469 1 75 VAL H 1 78 VAL MG2 4.500 . 5.000 4.062 4.023 4.144 . 0 0 "[ . 1 . 2]" 1
470 1 75 VAL H 1 75 VAL MG1 4.500 . 5.000 3.712 3.704 3.720 . 0 0 "[ . 1 . 2]" 1
471 1 73 GLU HA 1 75 VAL H 4.500 . 5.000 4.045 3.917 4.281 . 0 0 "[ . 1 . 2]" 1
472 1 75 VAL H 1 78 VAL MG1 4.500 . 5.000 4.949 4.810 5.015 0.015 3 0 "[ . 1 . 2]" 1
473 1 75 VAL H 1 76 VAL HB 5.200 . 5.700 4.729 4.486 4.869 . 0 0 "[ . 1 . 2]" 1
474 1 76 VAL H 1 77 LEU HG 4.500 . 5.000 3.990 3.851 4.324 . 0 0 "[ . 1 . 2]" 1
475 1 77 LEU H 1 79 ALA MB 5.200 . 5.700 4.756 4.640 4.839 . 0 0 "[ . 1 . 2]" 1
476 1 90 TRP HA 1 91 GLU H 3.800 . 4.300 2.682 2.144 3.557 . 0 0 "[ . 1 . 2]" 1
477 1 77 LEU H 1 77 LEU MD1 4.500 . 5.000 3.443 3.091 3.646 . 0 0 "[ . 1 . 2]" 1
478 1 74 TYR HA 1 77 LEU H 4.500 . 5.000 3.640 3.495 3.774 . 0 0 "[ . 1 . 2]" 1
479 1 77 LEU H 1 77 LEU HB2 3.800 . 4.300 2.583 2.441 2.727 . 0 0 "[ . 1 . 2]" 1
480 1 77 LEU H 1 77 LEU HB3 3.800 . 4.300 3.587 3.573 3.609 . 0 0 "[ . 1 . 2]" 1
481 1 76 VAL HB 1 77 LEU H 3.800 . 4.300 2.551 2.331 3.846 . 0 0 "[ . 1 . 2]" 1
482 1 90 TRP HB3 1 91 GLU H 3.800 . 4.300 3.255 1.937 4.302 0.002 1 0 "[ . 1 . 2]" 1
483 1 90 TRP HB2 1 91 GLU H 4.500 . 5.000 3.627 1.866 4.536 . 0 0 "[ . 1 . 2]" 1
484 1 77 LEU H 1 77 LEU HG 3.800 . 4.300 1.955 1.795 2.258 0.005 5 0 "[ . 1 . 2]" 1
485 1 77 LEU H 1 77 LEU MD2 4.500 . 5.000 3.080 2.447 3.683 . 0 0 "[ . 1 . 2]" 1
486 1 76 VAL MG1 1 77 LEU H 4.500 . 5.000 3.362 2.087 3.586 . 0 0 "[ . 1 . 2]" 1
487 1 76 VAL MG2 1 77 LEU H 4.500 . 5.000 3.769 3.620 4.090 . 0 0 "[ . 1 . 2]" 1
488 1 77 LEU H 1 80 ALA MB 4.500 . 5.000 4.752 4.556 4.931 . 0 0 "[ . 1 . 2]" 1
489 1 74 TYR HA 1 78 VAL H 4.500 . 5.000 4.226 4.148 4.326 . 0 0 "[ . 1 . 2]" 1
490 1 77 LEU HB3 1 78 VAL H 4.500 . 5.000 3.393 3.267 3.493 . 0 0 "[ . 1 . 2]" 1
491 1 77 LEU HG 1 78 VAL H 4.500 . 5.000 4.038 3.831 4.281 . 0 0 "[ . 1 . 2]" 1
492 1 78 VAL H 1 78 VAL MG2 3.800 . 4.300 1.947 1.849 2.028 . 0 0 "[ . 1 . 2]" 1
493 1 78 VAL H 1 80 ALA MB 4.500 . 5.000 4.873 4.768 5.004 0.004 4 0 "[ . 1 . 2]" 1
494 1 75 VAL HA 1 78 VAL H 4.500 . 5.000 3.930 3.746 4.045 . 0 0 "[ . 1 . 2]" 1
495 1 77 LEU HB2 1 78 VAL H 3.800 . 4.300 2.223 2.144 2.327 . 0 0 "[ . 1 . 2]" 1
496 1 78 VAL H 1 78 VAL HB 3.800 . 4.300 3.603 3.593 3.606 . 0 0 "[ . 1 . 2]" 1
497 1 78 VAL H 1 78 VAL MG1 3.800 . 4.300 2.070 1.961 2.212 . 0 0 "[ . 1 . 2]" 1
498 1 76 VAL HA 1 79 ALA H 4.500 . 5.000 3.742 3.660 3.892 . 0 0 "[ . 1 . 2]" 1
499 1 75 VAL HA 1 79 ALA H 4.500 . 5.000 4.491 4.307 4.760 . 0 0 "[ . 1 . 2]" 1
500 1 77 LEU HA 1 79 ALA H 4.500 . 5.000 4.069 3.761 4.301 . 0 0 "[ . 1 . 2]" 1
501 1 78 VAL HB 1 79 ALA H 3.800 . 4.300 3.710 3.559 3.902 . 0 0 "[ . 1 . 2]" 1
502 1 79 ALA H 1 79 ALA MB 2.800 . 3.300 2.176 2.136 2.249 . 0 0 "[ . 1 . 2]" 1
503 1 77 LEU HA 1 80 ALA H 3.800 . 4.300 3.174 2.983 3.316 . 0 0 "[ . 1 . 2]" 1
504 1 80 ALA H 1 81 LEU HB2 5.200 . 5.700 4.730 4.574 4.969 . 0 0 "[ . 1 . 2]" 1
505 1 80 ALA H 1 80 ALA MB 2.800 . 3.300 2.209 2.143 2.244 . 0 0 "[ . 1 . 2]" 1
506 1 78 VAL HA 1 81 LEU H 4.500 . 5.000 3.744 3.467 3.954 . 0 0 "[ . 1 . 2]" 1
507 1 81 LEU H 1 81 LEU HB2 3.800 . 4.300 2.296 2.254 2.569 . 0 0 "[ . 1 . 2]" 1
508 1 81 LEU H 1 81 LEU HB3 3.800 . 4.300 3.551 3.540 3.592 . 0 0 "[ . 1 . 2]" 1
509 1 81 LEU H 1 81 LEU HG 3.800 . 4.300 3.639 1.987 3.872 . 0 0 "[ . 1 . 2]" 1
510 1 81 LEU H 1 81 LEU MD2 4.500 . 5.000 3.518 1.794 3.838 0.006 18 0 "[ . 1 . 2]" 1
511 1 81 LEU H 1 81 LEU MD1 4.500 . 5.000 2.152 1.802 3.759 . 0 0 "[ . 1 . 2]" 1
512 1 57 VAL MG2 1 81 LEU H 5.200 . 5.700 4.795 4.372 5.133 . 0 0 "[ . 1 . 2]" 1
513 1 80 ALA MB 1 81 LEU H 3.800 . 4.300 2.363 2.229 2.510 . 0 0 "[ . 1 . 2]" 1
514 1 81 LEU H 1 82 THR HB 4.500 . 5.000 4.860 4.707 4.982 . 0 0 "[ . 1 . 2]" 1
515 1 57 VAL MG1 1 81 LEU H 5.200 . 5.700 5.218 4.652 5.648 . 0 0 "[ . 1 . 2]" 1
516 1 77 LEU HA 1 81 LEU H 4.500 . 5.000 4.236 4.094 4.424 . 0 0 "[ . 1 . 2]" 1
517 1 82 THR H 1 82 THR MG 4.500 . 5.000 3.743 3.733 3.747 . 0 0 "[ . 1 . 2]" 1
518 1 79 ALA MB 1 82 THR H 4.500 . 5.000 4.599 4.473 4.727 . 0 0 "[ . 1 . 2]" 1
519 1 82 THR H 1 82 THR HB 3.800 . 4.300 2.583 2.501 2.666 . 0 0 "[ . 1 . 2]" 1
520 1 78 VAL HA 1 82 THR H 4.500 . 5.000 4.174 3.941 4.439 . 0 0 "[ . 1 . 2]" 1
521 1 79 ALA HA 1 82 THR H 3.800 . 4.300 3.455 3.282 3.644 . 0 0 "[ . 1 . 2]" 1
522 1 81 LEU HB2 1 82 THR H 3.800 . 4.300 2.789 2.684 2.866 . 0 0 "[ . 1 . 2]" 1
523 1 81 LEU HB3 1 82 THR H 4.500 . 5.000 3.538 3.415 3.832 . 0 0 "[ . 1 . 2]" 1
524 1 82 THR HB 1 83 VAL H 3.800 . 4.300 2.566 2.508 2.646 . 0 0 "[ . 1 . 2]" 1
525 1 79 ALA HA 1 83 VAL H 4.500 . 5.000 4.252 3.856 4.563 . 0 0 "[ . 1 . 2]" 1
526 1 83 VAL H 1 83 VAL MG2 4.500 . 5.000 2.108 1.978 2.261 . 0 0 "[ . 1 . 2]" 1
527 1 53 ALA MB 1 84 ALA H 4.500 . 5.000 4.800 4.384 5.000 . 0 0 "[ . 1 . 2]" 1
528 1 80 ALA MB 1 84 ALA H 5.200 . 5.700 4.951 4.738 5.233 . 0 0 "[ . 1 . 2]" 1
529 1 81 LEU HA 1 84 ALA H 4.500 . 5.000 3.306 3.131 3.475 . 0 0 "[ . 1 . 2]" 1
530 1 80 ALA HA 1 84 ALA H 4.500 . 5.000 4.634 4.175 4.863 . 0 0 "[ . 1 . 2]" 1
531 1 83 VAL HB 1 84 ALA H 4.500 . 5.000 2.579 2.467 2.690 . 0 0 "[ . 1 . 2]" 1
532 1 83 VAL MG1 1 84 ALA H 4.500 . 5.000 3.422 3.223 3.600 . 0 0 "[ . 1 . 2]" 1
533 1 84 ALA H 1 84 ALA MB 2.800 . 3.300 2.207 2.153 2.237 . 0 0 "[ . 1 . 2]" 1
534 1 83 VAL MG2 1 84 ALA H 4.500 . 5.000 3.830 3.781 3.901 . 0 0 "[ . 1 . 2]" 1
535 1 83 VAL HA 1 85 CYS H 4.500 . 5.000 4.328 3.995 4.544 . 0 0 "[ . 1 . 2]" 1
536 1 81 LEU HA 1 85 CYS H 4.500 . 5.000 4.147 3.896 4.669 . 0 0 "[ . 1 . 2]" 1
537 1 48 GLN HA 1 85 CYS H 4.500 . 5.000 4.882 4.589 5.011 0.011 19 0 "[ . 1 . 2]" 1
538 1 85 CYS H 1 85 CYS HB3 3.800 . 4.300 3.190 2.361 3.641 . 0 0 "[ . 1 . 2]" 1
539 1 85 CYS H 1 85 CYS HB2 3.800 . 4.300 2.538 2.369 2.775 . 0 0 "[ . 1 . 2]" 1
540 1 84 ALA MB 1 85 CYS H 3.800 . 4.300 2.589 2.435 2.840 . 0 0 "[ . 1 . 2]" 1
541 1 85 CYS H 1 86 ASN HB2 4.500 . 5.000 4.669 4.366 4.989 . 0 0 "[ . 1 . 2]" 1
542 1 82 THR HA 1 86 ASN H 4.500 . 5.000 3.965 3.583 4.463 . 0 0 "[ . 1 . 2]" 1
543 1 86 ASN H 1 86 ASN HB3 3.800 . 4.300 3.366 2.522 3.647 . 0 0 "[ . 1 . 2]" 1
544 1 86 ASN H 1 86 ASN HB2 3.800 . 4.300 2.399 2.279 2.613 . 0 0 "[ . 1 . 2]" 1
545 1 82 THR MG 1 86 ASN H 4.500 . 5.000 3.943 3.630 4.328 . 0 0 "[ . 1 . 2]" 1
546 1 8 MET HB2 1 9 GLU H 4.500 . 5.000 2.713 2.603 2.804 . 0 0 "[ . 1 . 2]" 1
547 1 6 THR MG 1 9 GLU H 4.500 . 5.000 4.583 4.440 4.743 . 0 0 "[ . 1 . 2]" 1
548 1 86 ASN HB3 1 89 PHE H 4.500 . 5.000 3.726 3.083 4.847 . 0 0 "[ . 1 . 2]" 1
549 1 87 ASN HA 1 89 PHE H 4.500 . 5.000 4.035 3.053 4.496 . 0 0 "[ . 1 . 2]" 1
550 1 88 PHE HB2 1 89 PHE H 4.500 . 5.000 3.194 2.487 3.950 . 0 0 "[ . 1 . 2]" 1
551 1 88 PHE HB3 1 89 PHE H 4.500 . 5.000 3.117 1.924 4.223 . 0 0 "[ . 1 . 2]" 1
552 1 89 PHE H 1 89 PHE HB2 3.800 . 4.300 2.537 2.315 2.823 . 0 0 "[ . 1 . 2]" 1
553 1 89 PHE H 1 90 TRP HB2 5.200 . 5.700 4.689 4.046 4.947 . 0 0 "[ . 1 . 2]" 1
554 1 89 PHE HB2 1 90 TRP H 4.500 . 5.000 2.963 2.540 3.654 . 0 0 "[ . 1 . 2]" 1
555 1 87 ASN HA 1 90 TRP H 3.800 . 4.300 3.425 3.068 4.066 . 0 0 "[ . 1 . 2]" 1
556 1 90 TRP H 1 90 TRP HB2 3.800 . 4.300 2.376 2.273 2.504 . 0 0 "[ . 1 . 2]" 1
557 1 84 ALA HA 1 90 TRP HE1 3.800 . 4.300 3.089 2.509 3.567 . 0 0 "[ . 1 . 2]" 1
558 1 84 ALA MB 1 90 TRP HE1 4.500 . 5.000 4.586 4.131 5.008 0.008 19 0 "[ . 1 . 2]" 1
559 1 91 GLU HA 1 93 SER H 4.500 . 5.000 3.996 2.927 4.994 . 0 0 "[ . 1 . 2]" 1
560 1 92 ASN HA 1 93 SER H 3.800 . 4.300 3.245 2.353 3.545 . 0 0 "[ . 1 . 2]" 1
561 1 19 SER HA 1 28 LEU MD1 4.500 . 5.000 4.123 2.833 5.015 0.015 15 0 "[ . 1 . 2]" 1
562 1 28 LEU MD2 1 32 GLN HB2 4.500 . 5.000 3.086 2.079 4.644 . 0 0 "[ . 1 . 2]" 1
563 1 3 GLU HB3 1 6 THR MG 4.500 . 5.000 4.676 4.213 5.003 0.003 19 0 "[ . 1 . 2]" 1
564 1 21 LYS HA 1 21 LYS HD2 5.200 . 5.700 4.186 2.289 4.747 . 0 0 "[ . 1 . 2]" 1
565 1 21 LYS HA 1 21 LYS HD3 5.200 . 5.700 4.208 2.283 4.788 . 0 0 "[ . 1 . 2]" 1
566 1 4 LEU HA 1 4 LEU MD1 4.500 . 5.000 3.030 2.048 3.740 . 0 0 "[ . 1 . 2]" 1
567 1 80 ALA MB 1 81 LEU HA 4.500 . 5.000 3.777 3.706 3.828 . 0 0 "[ . 1 . 2]" 1
568 1 4 LEU HA 1 4 LEU MD2 4.500 . 5.000 3.047 2.225 3.830 . 0 0 "[ . 1 . 2]" 1
569 1 45 LEU MD2 1 58 MET ME 3.800 . 4.300 2.884 2.354 3.501 . 0 0 "[ . 1 . 2]" 1
570 1 37 LEU MD2 1 77 LEU MD2 4.500 . 5.000 3.778 3.091 4.273 . 0 0 "[ . 1 . 2]" 1
571 1 61 LEU HA 1 61 LEU MD2 4.500 . 5.000 2.131 2.068 2.238 . 0 0 "[ . 1 . 2]" 1
572 1 42 SER HA 1 45 LEU MD2 4.500 . 5.000 4.501 3.008 5.000 0.000 5 0 "[ . 1 . 2]" 1
573 1 60 GLU HA 1 63 GLU HB2 4.500 . 5.000 3.600 3.145 4.137 . 0 0 "[ . 1 . 2]" 1
574 1 59 LYS HD2 1 62 ASP HB3 5.200 . 5.700 4.626 4.338 5.008 . 0 0 "[ . 1 . 2]" 1
575 1 53 ALA HA 1 56 LYS HD2 4.500 . 5.000 3.674 2.593 4.460 . 0 0 "[ . 1 . 2]" 1
576 1 53 ALA HA 1 56 LYS HD3 4.500 . 5.000 3.513 2.317 4.493 . 0 0 "[ . 1 . 2]" 1
577 1 59 LYS HA 1 59 LYS HD2 4.500 . 5.000 3.809 3.561 4.034 . 0 0 "[ . 1 . 2]" 1
578 1 56 LYS HA 1 59 LYS HD3 4.500 . 5.000 4.357 4.062 5.048 0.048 2 0 "[ . 1 . 2]" 1
579 1 31 LYS HA 1 34 LYS HD2 4.500 . 5.000 4.281 2.488 5.014 0.014 2 0 "[ . 1 . 2]" 1
580 1 31 LYS HA 1 34 LYS HD3 4.500 . 5.000 4.294 2.438 5.006 0.006 14 0 "[ . 1 . 2]" 1
581 1 6 THR HA 1 9 GLU HG2 4.500 . 5.000 4.205 3.144 4.975 . 0 0 "[ . 1 . 2]" 1
582 1 3 GLU HA 1 6 THR HB 3.800 . 4.300 2.846 2.332 3.335 . 0 0 "[ . 1 . 2]" 1
583 1 6 THR HB 1 7 ALA MB 4.500 . 5.000 3.976 3.774 4.060 . 0 0 "[ . 1 . 2]" 1
584 1 6 THR MG 1 9 GLU HB3 5.200 . 5.700 4.677 4.296 5.220 . 0 0 "[ . 1 . 2]" 1
585 1 6 THR MG 1 7 ALA HA 4.500 . 5.000 3.753 3.597 3.877 . 0 0 "[ . 1 . 2]" 1
586 1 6 THR MG 1 7 ALA MB 4.500 . 5.000 4.404 4.239 4.527 . 0 0 "[ . 1 . 2]" 1
587 1 7 ALA MB 1 8 MET ME 5.200 . 5.700 4.329 3.705 4.855 . 0 0 "[ . 1 . 2]" 1
588 1 8 MET HA 1 8 MET ME 3.800 . 4.300 2.497 2.228 2.950 . 0 0 "[ . 1 . 2]" 1
589 1 8 MET HA 1 11 LEU HG 4.500 . 5.000 4.081 3.825 4.415 . 0 0 "[ . 1 . 2]" 1
590 1 8 MET HA 1 12 ILE HG13 5.200 . 5.700 4.247 3.813 4.512 . 0 0 "[ . 1 . 2]" 1
591 1 8 MET HB2 1 8 MET ME 4.500 . 5.000 3.664 3.338 4.223 . 0 0 "[ . 1 . 2]" 1
592 1 6 THR HA 1 9 GLU HB3 4.500 . 5.000 4.427 4.179 4.908 . 0 0 "[ . 1 . 2]" 1
593 1 8 MET ME 1 8 MET HG2 3.800 . 4.300 2.821 2.152 3.345 . 0 0 "[ . 1 . 2]" 1
594 1 57 VAL HA 1 60 GLU HB3 4.500 . 5.000 2.814 2.414 4.090 . 0 0 "[ . 1 . 2]" 1
595 1 8 MET HB3 1 8 MET ME 4.500 . 5.000 2.656 2.032 3.903 . 0 0 "[ . 1 . 2]" 1
596 1 6 THR HA 1 9 GLU HB2 3.800 . 4.300 2.923 2.665 3.507 . 0 0 "[ . 1 . 2]" 1
597 1 6 THR MG 1 9 GLU HB2 4.500 . 5.000 3.511 3.194 3.897 . 0 0 "[ . 1 . 2]" 1
598 1 6 THR HA 1 9 GLU HG3 4.500 . 5.000 3.233 2.766 3.754 . 0 0 "[ . 1 . 2]" 1
599 1 10 THR HA 1 13 ASN HB2 4.500 . 5.000 3.015 2.581 4.946 . 0 0 "[ . 1 . 2]" 1
600 1 79 ALA HA 1 82 THR HB 3.800 . 4.300 2.603 2.289 2.895 . 0 0 "[ . 1 . 2]" 1
601 1 7 ALA HA 1 10 THR HB 4.500 . 5.000 3.187 2.596 3.500 . 0 0 "[ . 1 . 2]" 1
602 1 10 THR MG 1 11 LEU QD 4.500 . 5.000 3.894 3.748 4.048 . 0 0 "[ . 1 . 2]" 1
603 1 9 GLU HA 1 12 ILE HB 4.500 . 5.000 2.878 2.680 3.253 . 0 0 "[ . 1 . 2]" 1
604 1 11 LEU HA 1 11 LEU HG 3.800 . 4.300 2.546 2.457 2.610 . 0 0 "[ . 1 . 2]" 1
605 1 9 GLU HA 1 12 ILE MD 4.500 . 5.000 2.582 2.275 4.854 . 0 0 "[ . 1 . 2]" 1
606 1 8 MET ME 1 11 LEU HB2 4.500 . 5.000 3.567 3.187 3.961 . 0 0 "[ . 1 . 2]" 1
607 1 41 LEU HB2 1 45 LEU MD2 4.500 . 5.000 4.254 2.331 4.918 . 0 0 "[ . 1 . 2]" 1
608 1 41 LEU HB2 1 45 LEU MD1 4.500 . 5.000 3.162 2.119 4.710 . 0 0 "[ . 1 . 2]" 1
609 1 8 MET ME 1 11 LEU HB3 4.500 . 5.000 4.417 4.002 4.723 . 0 0 "[ . 1 . 2]" 1
610 1 11 LEU QD 1 78 VAL MG1 5.200 . 5.700 3.028 2.785 3.377 . 0 0 "[ . 1 . 2]" 1
611 1 11 LEU QD 1 75 VAL MG2 3.800 . 4.300 2.389 2.181 2.564 . 0 0 "[ . 1 . 2]" 1
612 1 33 LEU QD 1 77 LEU MD2 5.200 . 5.700 3.789 3.492 4.300 . 0 0 "[ . 1 . 2]" 1
613 1 41 LEU MD1 1 81 LEU MD1 5.200 . 5.700 3.849 2.842 5.369 . 0 0 "[ . 1 . 2]" 1
614 1 57 VAL MG1 1 81 LEU MD1 4.500 . 5.000 2.879 2.160 4.188 . 0 0 "[ . 1 . 2]" 1
615 1 37 LEU MD1 1 81 LEU MD1 4.500 . 5.000 3.675 2.938 4.884 . 0 0 "[ . 1 . 2]" 1
616 1 54 VAL MG2 1 81 LEU MD1 4.500 . 5.000 3.416 2.096 4.560 . 0 0 "[ . 1 . 2]" 1
617 1 11 LEU QD 1 78 VAL MG2 5.200 . 5.700 2.561 2.357 2.814 . 0 0 "[ . 1 . 2]" 1
618 1 45 LEU MD1 1 58 MET ME 3.800 . 4.300 3.160 2.570 3.930 . 0 0 "[ . 1 . 2]" 1
619 1 9 GLU HA 1 12 ILE HG13 4.500 . 5.000 3.697 3.282 4.050 . 0 0 "[ . 1 . 2]" 1
620 1 8 MET ME 1 11 LEU HG 4.500 . 5.000 4.884 4.620 5.023 0.023 11 0 "[ . 1 . 2]" 1
621 1 8 MET ME 1 12 ILE HG13 5.200 . 5.700 4.500 3.927 5.671 . 0 0 "[ . 1 . 2]" 1
622 1 12 ILE HA 1 12 ILE MD 4.500 . 5.000 3.745 2.226 3.848 . 0 0 "[ . 1 . 2]" 1
623 1 9 GLU HA 1 12 ILE MG 4.500 . 5.000 4.229 4.047 4.576 . 0 0 "[ . 1 . 2]" 1
624 1 12 ILE MD 1 12 ILE MG 3.800 . 4.300 1.870 1.798 1.996 0.002 2 0 "[ . 1 . 2]" 1
625 1 10 THR HA 1 13 ASN HB3 4.500 . 5.000 3.376 2.667 4.400 . 0 0 "[ . 1 . 2]" 1
626 1 14 VAL HA 1 17 ALA MB 3.800 . 4.300 2.595 2.191 2.963 . 0 0 "[ . 1 . 2]" 1
627 1 73 GLU HA 1 76 VAL HB 4.500 . 5.000 3.046 2.286 3.447 . 0 0 "[ . 1 . 2]" 1
628 1 14 VAL MG1 1 17 ALA MB 4.500 . 5.000 3.405 2.928 4.594 . 0 0 "[ . 1 . 2]" 1
629 1 68 GLU HA 1 69 VAL QG 4.500 . 5.000 3.073 2.962 3.242 . 0 0 "[ . 1 . 2]" 1
630 1 8 MET ME 1 8 MET HG3 3.800 . 4.300 2.664 2.286 3.295 . 0 0 "[ . 1 . 2]" 1
631 1 14 VAL MG2 1 17 ALA MB 4.500 . 5.000 4.039 3.492 4.552 . 0 0 "[ . 1 . 2]" 1
632 1 18 HIS HA 1 21 LYS HD2 5.200 . 5.700 4.685 2.754 5.706 0.006 9 0 "[ . 1 . 2]" 1
633 1 18 HIS HA 1 21 LYS HD3 5.200 . 5.700 4.501 2.424 5.686 . 0 0 "[ . 1 . 2]" 1
634 1 17 ALA MB 1 18 HIS HA 4.500 . 5.000 3.862 3.791 3.928 . 0 0 "[ . 1 . 2]" 1
635 1 18 HIS HB3 1 28 LEU MD1 4.500 . 5.000 3.881 3.099 4.959 . 0 0 "[ . 1 . 2]" 1
636 1 18 HIS HB2 1 28 LEU MD1 4.500 . 5.000 4.111 3.112 5.016 0.016 12 0 "[ . 1 . 2]" 1
637 1 3 GLU HA 1 6 THR MG 4.500 . 5.000 4.045 3.620 4.446 . 0 0 "[ . 1 . 2]" 1
638 1 81 LEU HA 1 81 LEU MD2 4.500 . 5.000 3.488 2.063 3.751 . 0 0 "[ . 1 . 2]" 1
639 1 81 LEU HA 1 84 ALA MB 3.800 . 4.300 2.595 2.251 2.873 . 0 0 "[ . 1 . 2]" 1
640 1 4 LEU HA 1 7 ALA MB 3.800 . 4.300 2.849 2.595 3.298 . 0 0 "[ . 1 . 2]" 1
641 1 59 LYS HE2 1 59 LYS HG2 3.800 . 4.300 2.949 2.353 3.571 . 0 0 "[ . 1 . 2]" 1
642 1 59 LYS HE3 1 59 LYS HG2 3.800 . 4.300 3.509 2.323 3.914 . 0 0 "[ . 1 . 2]" 1
643 1 18 HIS HA 1 21 LYS HE2 4.500 . 5.000 3.621 2.318 4.778 . 0 0 "[ . 1 . 2]" 1
644 1 18 HIS HA 1 21 LYS HE3 4.500 . 5.000 3.842 2.457 5.006 0.006 7 0 "[ . 1 . 2]" 1
645 1 59 LYS HD3 1 59 LYS HG2 2.800 . 3.300 2.391 2.320 2.518 . 0 0 "[ . 1 . 2]" 1
646 1 51 VAL HA 1 54 VAL HB 3.800 . 4.300 2.540 2.285 2.879 . 0 0 "[ . 1 . 2]" 1
647 1 53 ALA MB 1 84 ALA HA 4.500 . 5.000 4.250 3.150 4.968 . 0 0 "[ . 1 . 2]" 1
648 1 50 ASP HB2 1 84 ALA HA 4.500 . 5.000 3.455 2.531 4.626 . 0 0 "[ . 1 . 2]" 1
649 1 30 LYS HE2 1 69 VAL QG 4.500 . 5.000 2.630 2.132 4.059 . 0 0 "[ . 1 . 2]" 1
650 1 30 LYS HE3 1 69 VAL QG 4.500 . 5.000 3.172 2.244 4.020 . 0 0 "[ . 1 . 2]" 1
651 1 20 GLY HA3 1 25 LYS HA 4.500 . 5.000 3.782 2.309 5.015 0.015 12 0 "[ . 1 . 2]" 1
652 1 20 GLY HA2 1 25 LYS HA 4.500 . 5.000 3.130 2.285 4.272 . 0 0 "[ . 1 . 2]" 1
653 1 32 GLN HA 1 32 GLN HG3 3.800 . 4.300 3.319 2.947 3.739 . 0 0 "[ . 1 . 2]" 1
654 1 81 LEU HA 1 81 LEU MD1 4.500 . 5.000 2.539 2.114 3.789 . 0 0 "[ . 1 . 2]" 1
655 1 45 LEU HA 1 54 VAL MG1 4.500 . 5.000 4.534 3.918 4.976 . 0 0 "[ . 1 . 2]" 1
656 1 58 MET HA 1 58 MET ME 3.800 . 4.300 3.326 2.893 4.119 . 0 0 "[ . 1 . 2]" 1
657 1 77 LEU HA 1 80 ALA MB 3.800 . 4.300 2.577 2.373 2.809 . 0 0 "[ . 1 . 2]" 1
658 1 8 MET ME 1 75 VAL MG2 3.800 . 4.300 2.965 2.553 3.254 . 0 0 "[ . 1 . 2]" 1
659 1 37 LEU MD1 1 77 LEU HB2 4.500 . 5.000 2.417 2.274 2.552 . 0 0 "[ . 1 . 2]" 1
660 1 33 LEU QD 1 37 LEU MD1 5.200 . 5.700 2.663 2.111 3.002 . 0 0 "[ . 1 . 2]" 1
661 1 37 LEU MD1 1 81 LEU MD2 4.500 . 5.000 3.374 2.760 4.873 . 0 0 "[ . 1 . 2]" 1
662 1 37 LEU MD1 1 77 LEU MD1 4.500 . 5.000 2.450 2.111 3.089 . 0 0 "[ . 1 . 2]" 1
663 1 29 SER HA 1 68 GLU HA 3.800 . 4.300 2.601 2.285 3.167 . 0 0 "[ . 1 . 2]" 1
664 1 27 LYS HA 1 27 LYS HD2 4.500 . 5.000 4.525 3.793 4.835 . 0 0 "[ . 1 . 2]" 1
665 1 27 LYS HA 1 27 LYS HD3 4.500 . 5.000 4.466 3.954 4.849 . 0 0 "[ . 1 . 2]" 1
666 1 28 LEU HB2 1 69 VAL QG 4.500 . 5.000 3.589 2.715 4.099 . 0 0 "[ . 1 . 2]" 1
667 1 28 LEU HB3 1 69 VAL QG 4.500 . 5.000 2.430 2.195 3.063 . 0 0 "[ . 1 . 2]" 1
668 1 18 HIS HB3 1 28 LEU MD2 4.500 . 5.000 3.676 2.439 4.816 . 0 0 "[ . 1 . 2]" 1
669 1 18 HIS HB2 1 28 LEU MD2 4.500 . 5.000 4.060 2.820 5.018 0.018 3 0 "[ . 1 . 2]" 1
670 1 28 LEU MD1 1 32 GLN HB2 4.500 . 5.000 3.460 2.236 4.900 . 0 0 "[ . 1 . 2]" 1
671 1 28 LEU MD2 1 33 LEU QD 5.200 . 5.700 3.185 2.071 4.053 . 0 0 "[ . 1 . 2]" 1
672 1 28 LEU MD1 1 33 LEU HA 4.500 . 5.000 3.103 2.313 3.784 . 0 0 "[ . 1 . 2]" 1
673 1 19 SER HA 1 28 LEU MD2 4.500 . 5.000 3.672 2.255 5.021 0.021 10 0 "[ . 1 . 2]" 1
674 1 28 LEU MD2 1 36 LEU HG 5.200 . 5.700 5.219 4.316 5.683 . 0 0 "[ . 1 . 2]" 1
675 1 28 LEU MD1 1 69 VAL QG 4.500 . 5.000 3.314 2.727 4.215 . 0 0 "[ . 1 . 2]" 1
676 1 29 SER HA 1 68 GLU HB2 4.500 . 5.000 3.851 3.298 5.008 0.008 4 0 "[ . 1 . 2]" 1
677 1 29 SER HA 1 68 GLU HB3 4.500 . 5.000 3.255 2.789 3.959 . 0 0 "[ . 1 . 2]" 1
678 1 30 LYS HA 1 33 LEU HB2 4.500 . 5.000 2.631 2.286 3.386 . 0 0 "[ . 1 . 2]" 1
679 1 30 LYS HA 1 33 LEU HB3 4.500 . 5.000 2.523 2.295 2.967 . 0 0 "[ . 1 . 2]" 1
680 1 42 SER HA 1 45 LEU MD1 4.500 . 5.000 2.550 2.140 4.804 . 0 0 "[ . 1 . 2]" 1
681 1 30 LYS HA 1 69 VAL QG 4.500 . 5.000 3.019 2.508 3.536 . 0 0 "[ . 1 . 2]" 1
682 1 30 LYS HD2 1 69 VAL QG 4.500 . 5.000 4.109 2.653 4.597 . 0 0 "[ . 1 . 2]" 1
683 1 30 LYS HA 1 30 LYS HD2 4.500 . 5.000 4.343 2.669 4.633 . 0 0 "[ . 1 . 2]" 1
684 1 30 LYS HA 1 30 LYS HD3 4.500 . 5.000 4.016 2.282 4.815 . 0 0 "[ . 1 . 2]" 1
685 1 30 LYS HD3 1 69 VAL QG 4.500 . 5.000 3.726 2.170 4.405 . 0 0 "[ . 1 . 2]" 1
686 1 31 LYS HB2 1 31 LYS HE2 5.200 . 5.700 4.468 4.111 4.826 . 0 0 "[ . 1 . 2]" 1
687 1 31 LYS HB2 1 31 LYS HE3 5.200 . 5.700 4.443 4.050 4.793 . 0 0 "[ . 1 . 2]" 1
688 1 59 LYS HB2 1 59 LYS HD2 3.800 . 4.300 2.506 2.285 3.588 . 0 0 "[ . 1 . 2]" 1
689 1 3 GLU HB2 1 4 LEU HA 4.500 . 5.000 4.278 4.189 4.330 . 0 0 "[ . 1 . 2]" 1
690 1 28 LEU MD1 1 32 GLN HB3 4.500 . 5.000 3.899 2.536 4.965 . 0 0 "[ . 1 . 2]" 1
691 1 28 LEU MD2 1 32 GLN HB3 4.500 . 5.000 3.570 2.145 4.602 . 0 0 "[ . 1 . 2]" 1
692 1 32 GLN HA 1 32 GLN HG2 3.800 . 4.300 2.599 2.302 3.051 . 0 0 "[ . 1 . 2]" 1
693 1 69 VAL HB 1 73 GLU HG2 4.500 . 5.000 4.508 4.011 4.779 . 0 0 "[ . 1 . 2]" 1
694 1 33 LEU HA 1 36 LEU QD . . 4.300 3.216 2.141 3.391 . 0 0 "[ . 1 . 2]" 1
695 1 33 LEU HA 1 36 LEU HG 4.500 . 5.000 4.344 2.716 4.535 . 0 0 "[ . 1 . 2]" 1
696 1 28 LEU MD2 1 33 LEU HA 4.500 . 5.000 3.584 2.549 5.026 0.026 1 0 "[ . 1 . 2]" 1
697 1 33 LEU HB2 1 69 VAL QG 4.500 . 5.000 2.892 2.618 3.122 . 0 0 "[ . 1 . 2]" 1
698 1 33 LEU HB3 1 69 VAL QG 4.500 . 5.000 3.690 3.497 3.865 . 0 0 "[ . 1 . 2]" 1
699 1 33 LEU QD 1 74 TYR HA . . 4.300 3.105 2.827 3.451 . 0 0 "[ . 1 . 2]" 1
700 1 33 LEU QD 1 61 LEU MD2 4.500 . 5.000 2.537 2.085 3.811 . 0 0 "[ . 1 . 2]" 1
701 1 33 LEU QD 1 37 LEU MD2 5.200 . 5.700 3.692 2.780 4.277 . 0 0 "[ . 1 . 2]" 1
702 1 28 LEU MD1 1 33 LEU QD 5.200 . 5.700 2.567 2.019 4.323 . 0 0 "[ . 1 . 2]" 1
703 1 28 LEU MD1 1 36 LEU HG 5.200 . 5.700 4.774 4.254 5.692 . 0 0 "[ . 1 . 2]" 1
704 1 33 LEU QD 1 77 LEU MD1 5.200 . 5.700 1.961 1.823 2.127 . 0 0 "[ . 1 . 2]" 1
705 1 33 LEU QD 1 69 VAL QG . . 4.300 1.969 1.799 2.324 0.001 2 0 "[ . 1 . 2]" 1
706 1 33 LEU QD 1 77 LEU HB2 4.500 . 5.000 3.865 3.254 4.182 . 0 0 "[ . 1 . 2]" 1
707 1 33 LEU QD 1 61 LEU MD1 4.500 . 5.000 2.582 1.934 2.864 . 0 0 "[ . 1 . 2]" 1
708 1 33 LEU HG 1 61 LEU MD2 4.500 . 5.000 4.014 3.250 4.834 . 0 0 "[ . 1 . 2]" 1
709 1 33 LEU HG 1 61 LEU MD1 4.500 . 5.000 3.254 2.424 4.226 . 0 0 "[ . 1 . 2]" 1
710 1 33 LEU HG 1 69 VAL QG 4.500 . 5.000 3.892 2.209 4.406 . 0 0 "[ . 1 . 2]" 1
711 1 34 LYS HA 1 58 MET ME 4.500 . 5.000 4.085 3.112 4.682 . 0 0 "[ . 1 . 2]" 1
712 1 31 LYS HA 1 34 LYS HB2 5.200 . 5.700 4.580 3.584 5.713 0.013 8 0 "[ . 1 . 2]" 1
713 1 48 GLN HB3 1 54 VAL HB 5.200 . 5.700 4.925 4.107 5.695 . 0 0 "[ . 1 . 2]" 1
714 1 53 ALA MB 1 54 VAL HB 4.500 . 5.000 4.664 4.472 4.824 . 0 0 "[ . 1 . 2]" 1
715 1 34 LYS HB2 1 58 MET ME 5.200 . 5.700 5.130 4.051 5.700 0.000 17 0 "[ . 1 . 2]" 1
716 1 54 VAL HB 1 58 MET ME 5.200 . 5.700 5.145 4.519 5.636 . 0 0 "[ . 1 . 2]" 1
717 1 59 LYS HA 1 59 LYS HG3 3.800 . 4.300 3.561 3.428 3.573 . 0 0 "[ . 1 . 2]" 1
718 1 73 GLU HA 1 73 GLU HG2 3.800 . 4.300 2.402 2.278 2.728 . 0 0 "[ . 1 . 2]" 1
719 1 28 LEU MD2 1 36 LEU QD 4.500 . 5.000 2.803 2.206 3.278 . 0 0 "[ . 1 . 2]" 1
720 1 28 LEU MD1 1 36 LEU QD 4.500 . 5.000 2.522 1.955 3.161 . 0 0 "[ . 1 . 2]" 1
721 1 37 LEU HA 1 37 LEU MD2 4.500 . 5.000 3.742 3.722 3.795 . 0 0 "[ . 1 . 2]" 1
722 1 37 LEU HA 1 37 LEU MD1 4.500 . 5.000 2.228 2.127 2.257 . 0 0 "[ . 1 . 2]" 1
723 1 42 SER HA 1 45 LEU HB2 4.500 . 5.000 2.872 2.284 3.229 . 0 0 "[ . 1 . 2]" 1
724 1 37 LEU HG 1 58 MET ME 4.500 . 5.000 3.988 3.423 4.407 . 0 0 "[ . 1 . 2]" 1
725 1 37 LEU HG 1 38 GLN HA 4.500 . 5.000 4.358 3.946 4.603 . 0 0 "[ . 1 . 2]" 1
726 1 38 GLN HA 1 58 MET ME 4.500 . 5.000 3.804 2.945 4.361 . 0 0 "[ . 1 . 2]" 1
727 1 38 GLN HB2 1 58 MET ME 4.500 . 5.000 4.159 2.355 4.986 . 0 0 "[ . 1 . 2]" 1
728 1 38 GLN HB3 1 58 MET ME 4.500 . 5.000 3.394 2.499 4.427 . 0 0 "[ . 1 . 2]" 1
729 1 72 GLN HB2 1 73 GLU HA 4.500 . 5.000 4.290 4.120 4.443 . 0 0 "[ . 1 . 2]" 1
730 1 39 THR MG 1 40 GLU HG2 4.500 . 5.000 3.124 2.574 3.820 . 0 0 "[ . 1 . 2]" 1
731 1 39 THR MG 1 40 GLU HA 4.500 . 5.000 3.392 3.036 3.741 . 0 0 "[ . 1 . 2]" 1
732 1 69 VAL HB 1 73 GLU HB2 3.800 . 4.300 2.284 2.273 2.312 . 0 0 "[ . 1 . 2]" 1
733 1 69 VAL QG 1 73 GLU HB2 3.800 . 4.300 3.182 3.114 3.240 . 0 0 "[ . 1 . 2]" 1
734 1 36 LEU QD 1 40 GLU HG3 4.500 . 5.000 2.525 2.230 2.881 . 0 0 "[ . 1 . 2]" 1
735 1 39 THR MG 1 40 GLU HG3 5.200 . 5.700 4.329 2.245 5.336 . 0 0 "[ . 1 . 2]" 1
736 1 41 LEU HA 1 41 LEU MD1 4.500 . 5.000 3.358 2.142 3.877 . 0 0 "[ . 1 . 2]" 1
737 1 41 LEU HA 1 41 LEU MD2 4.500 . 5.000 2.452 2.048 3.751 . 0 0 "[ . 1 . 2]" 1
738 1 37 LEU HG 1 77 LEU HB2 4.500 . 5.000 4.984 4.801 5.022 0.022 3 0 "[ . 1 . 2]" 1
739 1 41 LEU MD1 1 81 LEU MD2 5.200 . 5.700 2.729 1.894 4.468 . 0 0 "[ . 1 . 2]" 1
740 1 41 LEU MD2 1 81 LEU MD2 5.200 . 5.700 3.742 1.970 5.528 . 0 0 "[ . 1 . 2]" 1
741 1 41 LEU MD2 1 81 LEU MD1 5.200 . 5.700 4.752 3.239 5.554 . 0 0 "[ . 1 . 2]" 1
742 1 39 THR HA 1 42 SER HB2 4.500 . 5.000 3.727 2.506 5.006 0.006 20 0 "[ . 1 . 2]" 1
743 1 39 THR HA 1 42 SER HB3 4.500 . 5.000 4.004 2.287 4.993 . 0 0 "[ . 1 . 2]" 1
744 1 44 PHE HA 1 47 ALA MB 4.500 . 5.000 4.000 2.950 4.750 . 0 0 "[ . 1 . 2]" 1
745 1 45 LEU HA 1 54 VAL MG2 4.500 . 5.000 4.646 4.232 4.973 . 0 0 "[ . 1 . 2]" 1
746 1 45 LEU HA 1 48 GLN HG2 4.500 . 5.000 2.967 2.312 3.641 . 0 0 "[ . 1 . 2]" 1
747 1 42 SER HA 1 45 LEU HB3 4.500 . 5.000 4.403 3.703 4.823 . 0 0 "[ . 1 . 2]" 1
748 1 37 LEU MD2 1 77 LEU MD1 4.500 . 5.000 3.220 2.675 3.702 . 0 0 "[ . 1 . 2]" 1
749 1 57 VAL MG1 1 77 LEU MD1 4.500 . 5.000 3.380 2.851 4.861 . 0 0 "[ . 1 . 2]" 1
750 1 37 LEU MD2 1 77 LEU HB2 4.500 . 5.000 3.786 3.150 4.233 . 0 0 "[ . 1 . 2]" 1
751 1 37 LEU MD2 1 81 LEU MD1 4.500 . 5.000 2.459 1.902 3.005 . 0 0 "[ . 1 . 2]" 1
752 1 41 LEU HB2 1 45 LEU HG 4.500 . 5.000 3.936 3.078 5.023 0.023 7 0 "[ . 1 . 2]" 1
753 1 46 ASP HB3 1 47 ALA MB 4.500 . 5.000 3.760 3.354 4.384 . 0 0 "[ . 1 . 2]" 1
754 1 51 VAL MG1 1 55 ASP HB2 4.500 . 5.000 3.922 2.458 4.622 . 0 0 "[ . 1 . 2]" 1
755 1 51 VAL MG2 1 55 ASP HB2 4.500 . 5.000 3.278 2.216 4.953 . 0 0 "[ . 1 . 2]" 1
756 1 46 ASP HB2 1 47 ALA MB 4.500 . 5.000 4.290 3.521 5.010 0.010 12 0 "[ . 1 . 2]" 1
757 1 78 VAL MG2 1 79 ALA MB 5.200 . 5.700 2.863 2.770 2.991 . 0 0 "[ . 1 . 2]" 1
758 1 69 VAL QG 1 74 TYR HA . . 5.000 4.269 3.786 4.597 . 0 0 "[ . 1 . 2]" 1
759 1 69 VAL QG 1 73 GLU HB3 3.800 . 4.300 2.817 2.643 2.907 . 0 0 "[ . 1 . 2]" 1
760 1 45 LEU HA 1 48 GLN HG3 4.500 . 5.000 2.883 2.304 4.829 . 0 0 "[ . 1 . 2]" 1
761 1 49 LYS HA 1 49 LYS HD3 4.500 . 5.000 4.182 2.284 4.743 . 0 0 "[ . 1 . 2]" 1
762 1 49 LYS HA 1 49 LYS HD2 4.500 . 5.000 4.025 2.283 4.679 . 0 0 "[ . 1 . 2]" 1
763 1 50 ASP HA 1 51 VAL HB 4.500 . 5.000 4.783 4.471 4.970 . 0 0 "[ . 1 . 2]" 1
764 1 50 ASP HA 1 84 ALA MB 4.500 . 5.000 4.739 4.231 4.951 . 0 0 "[ . 1 . 2]" 1
765 1 50 ASP HB2 1 84 ALA MB 4.500 . 5.000 3.220 2.229 4.292 . 0 0 "[ . 1 . 2]" 1
766 1 50 ASP HB2 1 53 ALA MB 4.500 . 5.000 3.775 2.526 4.866 . 0 0 "[ . 1 . 2]" 1
767 1 50 ASP HB3 1 84 ALA MB 4.500 . 5.000 3.268 2.271 4.413 . 0 0 "[ . 1 . 2]" 1
768 1 51 VAL HA 1 54 VAL MG1 4.500 . 5.000 3.967 3.644 4.269 . 0 0 "[ . 1 . 2]" 1
769 1 51 VAL HA 1 54 VAL MG2 4.500 . 5.000 2.607 2.120 3.081 . 0 0 "[ . 1 . 2]" 1
770 1 51 VAL MG1 1 55 ASP HB3 5.200 . 5.700 4.674 3.166 5.396 . 0 0 "[ . 1 . 2]" 1
771 1 51 VAL MG2 1 55 ASP HB3 5.200 . 5.700 4.418 3.307 5.709 0.009 15 0 "[ . 1 . 2]" 1
772 1 57 VAL MG2 1 81 LEU HG 4.500 . 5.000 4.388 3.532 4.984 . 0 0 "[ . 1 . 2]" 1
773 1 57 VAL MG2 1 58 MET ME 4.500 . 5.000 4.394 2.575 4.975 . 0 0 "[ . 1 . 2]" 1
774 1 57 VAL MG2 1 77 LEU MD2 4.500 . 5.000 3.200 2.771 3.903 . 0 0 "[ . 1 . 2]" 1
775 1 57 VAL MG2 1 77 LEU MD1 4.500 . 5.000 4.718 4.148 5.004 0.004 2 0 "[ . 1 . 2]" 1
776 1 51 VAL HB 1 52 ASP HA 5.200 . 5.700 5.517 4.372 5.700 0.000 6 0 "[ . 1 . 2]" 1
777 1 53 ALA MB 1 80 ALA MB 4.500 . 5.000 4.272 3.577 4.899 . 0 0 "[ . 1 . 2]" 1
778 1 50 ASP HB3 1 53 ALA MB 4.500 . 5.000 3.108 2.426 3.802 . 0 0 "[ . 1 . 2]" 1
779 1 53 ALA MB 1 84 ALA MB 3.800 . 4.300 2.705 2.269 2.988 . 0 0 "[ . 1 . 2]" 1
780 1 76 VAL HA 1 79 ALA MB 3.800 . 4.300 2.902 2.740 3.129 . 0 0 "[ . 1 . 2]" 1
781 1 54 VAL HA 1 57 VAL HB 4.500 . 5.000 3.527 2.780 5.027 0.027 7 0 "[ . 1 . 2]" 1
782 1 54 VAL HA 1 57 VAL MG1 4.500 . 5.000 4.446 3.427 4.978 . 0 0 "[ . 1 . 2]" 1
783 1 54 VAL HA 1 57 VAL MG2 4.500 . 5.000 3.142 2.154 3.795 . 0 0 "[ . 1 . 2]" 1
784 1 53 ALA MB 1 54 VAL HA 4.500 . 5.000 3.813 3.676 3.925 . 0 0 "[ . 1 . 2]" 1
785 1 54 VAL HA 1 58 MET ME 4.500 . 5.000 4.517 4.034 4.983 . 0 0 "[ . 1 . 2]" 1
786 1 55 ASP HB3 1 56 LYS HA 4.500 . 5.000 4.168 4.075 4.280 . 0 0 "[ . 1 . 2]" 1
787 1 56 LYS HA 1 59 LYS HE2 4.500 . 5.000 3.255 2.325 4.167 . 0 0 "[ . 1 . 2]" 1
788 1 56 LYS HA 1 59 LYS HE3 4.500 . 5.000 4.015 2.415 4.990 . 0 0 "[ . 1 . 2]" 1
789 1 56 LYS HA 1 59 LYS HD2 4.500 . 5.000 4.749 4.270 5.016 0.016 10 0 "[ . 1 . 2]" 1
790 1 56 LYS HA 1 59 LYS HG2 3.800 . 4.300 2.517 2.289 4.434 0.134 2 0 "[ . 1 . 2]" 1
791 1 56 LYS HA 1 59 LYS HG3 3.800 . 4.300 2.812 2.679 3.274 . 0 0 "[ . 1 . 2]" 1
792 1 57 VAL HA 1 60 GLU HB2 4.500 . 5.000 2.870 2.506 4.421 . 0 0 "[ . 1 . 2]" 1
793 1 57 VAL HB 1 58 MET ME 4.500 . 5.000 3.793 3.376 4.384 . 0 0 "[ . 1 . 2]" 1
794 1 57 VAL MG1 1 58 MET HG2 4.500 . 5.000 3.922 2.875 5.009 0.009 5 0 "[ . 1 . 2]" 1
795 1 57 VAL MG1 1 81 LEU MD2 4.500 . 5.000 3.768 2.622 4.893 . 0 0 "[ . 1 . 2]" 1
796 1 57 VAL MG1 1 80 ALA MB 4.500 . 5.000 3.698 2.715 4.211 . 0 0 "[ . 1 . 2]" 1
797 1 37 LEU MD2 1 58 MET ME 4.500 . 5.000 2.157 1.900 2.559 . 0 0 "[ . 1 . 2]" 1
798 1 37 LEU MD1 1 58 MET ME 4.500 . 5.000 4.319 3.940 4.810 . 0 0 "[ . 1 . 2]" 1
799 1 57 VAL MG1 1 58 MET ME 4.500 . 5.000 3.430 2.738 4.936 . 0 0 "[ . 1 . 2]" 1
800 1 55 ASP HA 1 58 MET HG2 4.500 . 5.000 3.651 3.044 4.162 . 0 0 "[ . 1 . 2]" 1
801 1 55 ASP HA 1 58 MET HG3 4.500 . 5.000 3.383 2.908 4.537 . 0 0 "[ . 1 . 2]" 1
802 1 57 VAL MG2 1 58 MET HG2 4.500 . 5.000 4.439 2.215 4.993 . 0 0 "[ . 1 . 2]" 1
803 1 58 MET ME 1 58 MET HG2 2.800 . 3.300 2.252 2.172 2.615 . 0 0 "[ . 1 . 2]" 1
804 1 57 VAL HB 1 58 MET HG2 5.200 . 5.700 3.529 2.925 4.688 . 0 0 "[ . 1 . 2]" 1
805 1 59 LYS HB2 1 59 LYS HE2 4.500 . 5.000 4.394 4.113 4.538 . 0 0 "[ . 1 . 2]" 1
806 1 59 LYS HB2 1 59 LYS HE3 4.500 . 5.000 4.415 3.357 4.619 . 0 0 "[ . 1 . 2]" 1
807 1 61 LEU HA 1 61 LEU MD1 4.500 . 5.000 3.822 3.760 3.880 . 0 0 "[ . 1 . 2]" 1
808 1 59 LYS HD2 1 62 ASP HB2 5.200 . 5.700 5.664 5.572 5.709 0.009 2 0 "[ . 1 . 2]" 1
809 1 62 ASP HB2 1 63 GLU HA 5.200 . 5.700 5.565 5.488 5.604 . 0 0 "[ . 1 . 2]" 1
810 1 62 ASP HB3 1 63 GLU HA 5.200 . 5.700 4.081 3.915 4.191 . 0 0 "[ . 1 . 2]" 1
811 1 77 LEU HA 1 77 LEU MD1 4.500 . 5.000 3.809 3.734 3.871 . 0 0 "[ . 1 . 2]" 1
812 1 63 GLU HA 1 64 ASN HA 4.500 . 5.000 4.609 4.553 4.683 . 0 0 "[ . 1 . 2]" 1
813 1 31 LYS HB3 1 65 GLY HA2 5.200 . 5.700 4.745 3.662 5.382 . 0 0 "[ . 1 . 2]" 1
814 1 31 LYS HB3 1 65 GLY HA3 5.200 . 5.700 5.228 3.970 5.704 0.004 2 0 "[ . 1 . 2]" 1
815 1 69 VAL HA 1 73 GLU HB2 4.500 . 5.000 3.947 3.538 4.423 . 0 0 "[ . 1 . 2]" 1
816 1 69 VAL HA 1 73 GLU HB3 4.500 . 5.000 4.415 3.949 4.892 . 0 0 "[ . 1 . 2]" 1
817 1 69 VAL HB 1 73 GLU HB3 3.800 . 4.300 2.753 2.515 2.848 . 0 0 "[ . 1 . 2]" 1
818 1 69 VAL HB 1 73 GLU HA 4.500 . 5.000 4.997 4.844 5.040 0.040 10 0 "[ . 1 . 2]" 1
819 1 69 VAL QG 1 73 GLU HG2 4.500 . 5.000 4.074 3.843 4.317 . 0 0 "[ . 1 . 2]" 1
820 1 28 LEU MD2 1 69 VAL QG 4.500 . 5.000 3.705 2.647 4.533 . 0 0 "[ . 1 . 2]" 1
821 1 72 GLN HA 1 72 GLN HG3 3.800 . 4.300 3.692 3.060 3.832 . 0 0 "[ . 1 . 2]" 1
822 1 72 GLN HA 1 75 VAL MG2 4.500 . 5.000 3.007 2.791 3.352 . 0 0 "[ . 1 . 2]" 1
823 1 72 GLN HA 1 75 VAL MG1 4.500 . 5.000 4.051 3.909 4.184 . 0 0 "[ . 1 . 2]" 1
824 1 69 VAL QG 1 73 GLU HA 4.500 . 5.000 4.756 4.674 4.795 . 0 0 "[ . 1 . 2]" 1
825 1 73 GLU HA 1 76 VAL MG1 4.500 . 5.000 4.170 2.682 4.526 . 0 0 "[ . 1 . 2]" 1
826 1 74 TYR HA 1 77 LEU HB2 4.500 . 5.000 3.372 3.215 3.606 . 0 0 "[ . 1 . 2]" 1
827 1 75 VAL HA 1 78 VAL MG2 4.500 . 5.000 2.017 2.010 2.038 . 0 0 "[ . 1 . 2]" 1
828 1 11 LEU QD 1 75 VAL HA 4.500 . 5.000 3.218 3.020 3.472 . 0 0 "[ . 1 . 2]" 1
829 1 75 VAL HA 1 78 VAL MG1 4.500 . 5.000 3.432 3.267 3.509 . 0 0 "[ . 1 . 2]" 1
830 1 75 VAL HA 1 79 ALA MB 5.200 . 5.700 4.795 4.586 5.058 . 0 0 "[ . 1 . 2]" 1
831 1 8 MET ME 1 75 VAL HA 5.200 . 5.700 5.468 4.970 5.717 0.017 7 0 "[ . 1 . 2]" 1
832 1 72 GLN HA 1 75 VAL HB 4.500 . 5.000 2.674 2.507 2.845 . 0 0 "[ . 1 . 2]" 1
833 1 75 VAL MG1 1 78 VAL HB 5.200 . 5.700 5.287 5.207 5.348 . 0 0 "[ . 1 . 2]" 1
834 1 75 VAL MG1 1 78 VAL MG2 5.200 . 5.700 2.851 2.795 2.888 . 0 0 "[ . 1 . 2]" 1
835 1 11 LEU QD 1 75 VAL MG1 3.800 . 4.300 2.927 2.757 3.107 . 0 0 "[ . 1 . 2]" 1
836 1 8 MET ME 1 75 VAL MG1 3.800 . 4.300 2.790 2.344 3.056 . 0 0 "[ . 1 . 2]" 1
837 1 75 VAL MG2 1 78 VAL MG1 5.200 . 5.700 4.335 4.147 4.417 . 0 0 "[ . 1 . 2]" 1
838 1 75 VAL MG2 1 78 VAL MG2 5.200 . 5.700 3.289 3.271 3.318 . 0 0 "[ . 1 . 2]" 1
839 1 73 GLU HA 1 76 VAL MG2 4.500 . 5.000 2.462 2.244 4.578 . 0 0 "[ . 1 . 2]" 1
840 1 77 LEU HB3 1 80 ALA MB 4.500 . 5.000 3.989 3.821 4.200 . 0 0 "[ . 1 . 2]" 1
841 1 77 LEU HA 1 77 LEU MD2 4.500 . 5.000 2.108 2.038 2.231 . 0 0 "[ . 1 . 2]" 1
842 1 37 LEU MD1 1 77 LEU MD2 4.500 . 5.000 3.856 3.262 4.301 . 0 0 "[ . 1 . 2]" 1
843 1 57 VAL MG1 1 77 LEU MD2 4.500 . 5.000 2.411 2.116 2.786 . 0 0 "[ . 1 . 2]" 1
844 1 45 LEU HG 1 58 MET ME 4.500 . 5.000 4.690 4.111 4.972 . 0 0 "[ . 1 . 2]" 1
845 1 77 LEU HB2 1 78 VAL HA 4.500 . 5.000 4.118 4.009 4.242 . 0 0 "[ . 1 . 2]" 1
846 1 78 VAL HA 1 81 LEU HB3 5.200 . 5.700 4.792 4.500 5.081 . 0 0 "[ . 1 . 2]" 1
847 1 41 LEU MD1 1 78 VAL HA 4.500 . 5.000 2.784 2.272 4.023 . 0 0 "[ . 1 . 2]" 1
848 1 41 LEU MD2 1 78 VAL HA 4.500 . 5.000 3.550 2.267 4.348 . 0 0 "[ . 1 . 2]" 1
849 1 75 VAL HA 1 78 VAL HB 4.500 . 5.000 4.675 4.658 4.719 . 0 0 "[ . 1 . 2]" 1
850 1 75 VAL MG2 1 78 VAL HB 5.200 . 5.700 5.725 5.714 5.742 0.042 18 0 "[ . 1 . 2]" 1
851 1 75 VAL MG1 1 78 VAL MG1 5.200 . 5.700 4.723 4.614 4.788 . 0 0 "[ . 1 . 2]" 1
852 1 79 ALA HA 1 82 THR MG 4.500 . 5.000 3.820 3.620 4.021 . 0 0 "[ . 1 . 2]" 1
853 1 78 VAL MG1 1 79 ALA MB 5.200 . 5.700 5.017 4.972 5.072 . 0 0 "[ . 1 . 2]" 1
854 1 78 VAL HB 1 79 ALA MB 4.500 . 5.000 4.743 4.664 4.824 . 0 0 "[ . 1 . 2]" 1
855 1 79 ALA MB 1 82 THR MG 4.500 . 5.000 4.639 4.445 4.850 . 0 0 "[ . 1 . 2]" 1
856 1 80 ALA HA 1 83 VAL HB 4.500 . 5.000 3.449 3.208 3.652 . 0 0 "[ . 1 . 2]" 1
857 1 80 ALA HA 1 83 VAL MG1 4.500 . 5.000 4.704 4.522 4.860 . 0 0 "[ . 1 . 2]" 1
858 1 79 ALA MB 1 80 ALA MB 4.500 . 5.000 3.800 3.661 3.932 . 0 0 "[ . 1 . 2]" 1
859 1 80 ALA MB 1 81 LEU MD2 4.500 . 5.000 4.151 2.139 4.592 . 0 0 "[ . 1 . 2]" 1
860 1 80 ALA MB 1 81 LEU HB2 4.500 . 5.000 4.225 4.105 4.626 . 0 0 "[ . 1 . 2]" 1
861 1 57 VAL MG2 1 80 ALA MB 4.500 . 5.000 3.000 2.369 3.934 . 0 0 "[ . 1 . 2]" 1
862 1 80 ALA MB 1 81 LEU HG 4.500 . 5.000 4.355 3.030 4.788 . 0 0 "[ . 1 . 2]" 1
863 1 78 VAL HA 1 81 LEU HB2 4.500 . 5.000 3.170 2.891 3.444 . 0 0 "[ . 1 . 2]" 1
864 1 54 VAL MG1 1 81 LEU MD1 4.500 . 5.000 3.352 2.151 4.274 . 0 0 "[ . 1 . 2]" 1
865 1 57 VAL MG2 1 81 LEU MD1 4.500 . 5.000 2.782 2.152 4.744 . 0 0 "[ . 1 . 2]" 1
866 1 58 MET ME 1 81 LEU MD1 3.800 . 4.300 3.574 2.833 4.067 . 0 0 "[ . 1 . 2]" 1
867 1 80 ALA MB 1 81 LEU MD1 4.500 . 5.000 2.481 2.051 4.323 . 0 0 "[ . 1 . 2]" 1
868 1 54 VAL MG2 1 81 LEU MD2 4.500 . 5.000 3.561 2.616 4.366 . 0 0 "[ . 1 . 2]" 1
869 1 54 VAL MG1 1 81 LEU MD2 4.500 . 5.000 2.901 2.239 4.098 . 0 0 "[ . 1 . 2]" 1
870 1 37 LEU MD2 1 81 LEU MD2 4.500 . 5.000 2.074 1.907 3.205 . 0 0 "[ . 1 . 2]" 1
871 1 57 VAL MG2 1 81 LEU MD2 4.500 . 5.000 4.001 2.489 4.897 . 0 0 "[ . 1 . 2]" 1
872 1 58 MET ME 1 81 LEU MD2 3.800 . 4.300 2.746 2.200 4.195 . 0 0 "[ . 1 . 2]" 1
873 1 57 VAL MG1 1 81 LEU HG 4.500 . 5.000 4.747 4.369 4.999 . 0 0 "[ . 1 . 2]" 1
874 1 79 ALA MB 1 82 THR HB 4.500 . 5.000 3.942 3.738 4.159 . 0 0 "[ . 1 . 2]" 1
875 1 82 THR MG 1 86 ASN HB3 4.500 . 5.000 4.352 3.412 4.837 . 0 0 "[ . 1 . 2]" 1
876 1 82 THR MG 1 83 VAL MG1 4.500 . 5.000 4.968 4.713 5.012 0.012 8 0 "[ . 1 . 2]" 1
877 1 82 THR MG 1 83 VAL MG2 4.500 . 5.000 3.529 3.218 3.643 . 0 0 "[ . 1 . 2]" 1
878 1 82 THR MG 1 83 VAL HA 4.500 . 5.000 3.550 3.400 3.662 . 0 0 "[ . 1 . 2]" 1
879 1 83 VAL HB 1 84 ALA MB 5.200 . 5.700 3.969 3.822 4.125 . 0 0 "[ . 1 . 2]" 1
880 1 80 ALA HA 1 83 VAL MG2 4.500 . 5.000 3.248 2.924 3.560 . 0 0 "[ . 1 . 2]" 1
881 1 83 VAL MG2 1 84 ALA MB 4.500 . 5.000 4.958 4.912 5.009 0.009 18 0 "[ . 1 . 2]" 1
882 1 50 ASP HB3 1 84 ALA HA 4.500 . 5.000 3.854 2.770 4.979 . 0 0 "[ . 1 . 2]" 1
883 1 54 VAL HB 1 84 ALA MB 4.500 . 5.000 4.699 4.285 5.010 0.010 2 0 "[ . 1 . 2]" 1
884 1 54 VAL MG2 1 84 ALA MB 4.500 . 5.000 2.427 2.035 2.666 . 0 0 "[ . 1 . 2]" 1
885 1 83 VAL MG1 1 84 ALA MB 4.500 . 5.000 4.099 3.801 4.315 . 0 0 "[ . 1 . 2]" 1
886 1 54 VAL MG1 1 84 ALA MB 4.500 . 5.000 4.406 4.024 4.709 . 0 0 "[ . 1 . 2]" 1
887 1 54 VAL HA 1 84 ALA MB 4.500 . 5.000 4.413 3.767 4.962 . 0 0 "[ . 1 . 2]" 1
888 1 48 GLN HA 1 85 CYS HA 3.800 . 4.300 2.626 2.333 3.075 . 0 0 "[ . 1 . 2]" 1
889 1 82 THR MG 1 86 ASN HB2 4.500 . 5.000 3.455 2.854 3.816 . 0 0 "[ . 1 . 2]" 1
890 1 87 ASN HA 1 90 TRP HB3 5.200 . 5.700 4.697 4.060 5.613 . 0 0 "[ . 1 . 2]" 1
891 1 13 ASN HA 1 16 HIS HB2 4.500 . 5.000 3.941 3.635 4.943 . 0 0 "[ . 1 . 2]" 1
892 1 13 ASN HA 1 16 HIS HB3 4.500 . 5.000 3.074 2.766 3.687 . 0 0 "[ . 1 . 2]" 1
893 1 87 ASN HA 1 90 TRP HB2 4.500 . 5.000 3.129 2.434 4.430 . 0 0 "[ . 1 . 2]" 1
894 1 45 LEU HA 1 48 GLN HB3 4.500 . 5.000 4.644 2.284 5.016 0.016 5 0 "[ . 1 . 2]" 1
895 1 16 HIS HA 1 16 HIS HD2 3.800 . 4.300 3.469 2.558 4.297 . 0 0 "[ . 1 . 2]" 1
896 1 17 ALA MB 1 18 HIS HD2 3.800 . 4.300 2.688 2.104 3.448 . 0 0 "[ . 1 . 2]" 1
897 1 26 TYR HA 1 26 TYR HD1 4.500 . 5.000 3.024 2.330 4.233 . 0 0 "[ . 1 . 2]" 1
898 1 26 TYR HA 1 26 TYR HD2 4.500 . 5.000 4.032 2.992 4.521 . 0 0 "[ . 1 . 2]" 1
899 1 44 PHE HD2 1 82 THR HA 4.500 . 5.000 3.445 2.606 4.821 . 0 0 "[ . 1 . 2]" 1
900 1 44 PHE HA 1 44 PHE HD1 3.800 . 4.300 2.422 2.287 2.778 . 0 0 "[ . 1 . 2]" 1
901 1 44 PHE HD2 1 82 THR MG 4.500 . 5.000 4.315 3.767 5.006 0.006 8 0 "[ . 1 . 2]" 1
902 1 44 PHE HE2 1 82 THR HA 4.500 . 5.000 3.678 2.541 5.006 0.006 18 0 "[ . 1 . 2]" 1
903 1 44 PHE HE2 1 82 THR MG 3.800 . 4.300 3.126 2.330 4.070 . 0 0 "[ . 1 . 2]" 1
904 1 44 PHE HZ 1 82 THR MG 4.500 . 5.000 4.311 3.047 4.908 . 0 0 "[ . 1 . 2]" 1
905 1 71 PHE HD2 1 72 GLN HB3 4.500 . 5.000 3.913 3.284 4.988 . 0 0 "[ . 1 . 2]" 1
906 1 71 PHE HD2 1 72 GLN HG2 4.500 . 5.000 4.521 3.023 5.007 0.007 7 0 "[ . 1 . 2]" 1
907 1 71 PHE HA 1 71 PHE HD1 4.500 . 5.000 2.577 2.290 2.838 . 0 0 "[ . 1 . 2]" 1
908 1 71 PHE HE2 1 75 VAL MG2 5.200 . 5.700 2.987 2.521 3.426 . 0 0 "[ . 1 . 2]" 1
909 1 71 PHE HE2 1 75 VAL MG1 5.200 . 5.700 4.663 4.054 5.229 . 0 0 "[ . 1 . 2]" 1
910 1 8 MET ME 1 71 PHE HE2 3.800 . 4.300 3.543 2.897 4.188 . 0 0 "[ . 1 . 2]" 1
911 1 8 MET ME 1 71 PHE HZ 3.800 . 4.300 3.591 2.956 4.281 . 0 0 "[ . 1 . 2]" 1
912 1 74 TYR HA 1 74 TYR QD 3.800 . 4.300 2.911 2.305 3.131 . 0 0 "[ . 1 . 2]" 1
913 1 71 PHE HA 1 74 TYR QD 4.500 . 5.000 4.344 3.536 4.741 . 0 0 "[ . 1 . 2]" 1
914 1 33 LEU QD 1 74 TYR QD . . 4.300 2.396 2.143 2.957 . 0 0 "[ . 1 . 2]" 1
915 1 36 LEU HG 1 74 TYR QD 4.500 . 5.000 3.902 3.763 5.005 0.005 3 0 "[ . 1 . 2]" 1
916 1 36 LEU QD 1 74 TYR QD . . 4.300 3.074 2.825 3.333 . 0 0 "[ . 1 . 2]" 1
917 1 69 VAL QG 1 74 TYR QD 5.200 . 5.700 4.682 4.220 5.040 . 0 0 "[ . 1 . 2]" 1
918 1 11 LEU HG 1 74 TYR QE 4.500 . 5.000 4.718 4.390 4.956 . 0 0 "[ . 1 . 2]" 1
919 1 36 LEU QD 1 74 TYR QE . . 4.300 2.859 2.184 3.247 . 0 0 "[ . 1 . 2]" 1
920 1 11 LEU QD 1 74 TYR QE . . 4.300 2.215 2.044 2.804 . 0 0 "[ . 1 . 2]" 1
921 1 11 LEU HB3 1 74 TYR QE 4.500 . 5.000 3.031 2.296 3.342 . 0 0 "[ . 1 . 2]" 1
922 1 11 LEU HB2 1 74 TYR QE 4.500 . 5.000 4.722 4.044 4.995 . 0 0 "[ . 1 . 2]" 1
923 1 15 PHE HA 1 74 TYR QE 5.200 . 5.700 4.768 4.161 5.031 . 0 0 "[ . 1 . 2]" 1
924 1 11 LEU HA 1 74 TYR QE 4.500 . 5.000 3.638 3.257 3.886 . 0 0 "[ . 1 . 2]" 1
925 1 88 PHE HA 1 88 PHE HD1 3.800 . 4.300 3.049 2.541 4.050 . 0 0 "[ . 1 . 2]" 1
926 1 83 VAL HA 1 89 PHE HD2 4.500 . 5.000 2.964 2.455 3.446 . 0 0 "[ . 1 . 2]" 1
927 1 89 PHE HA 1 89 PHE HD1 4.500 . 5.000 2.511 2.287 2.901 . 0 0 "[ . 1 . 2]" 1
928 1 86 ASN HB3 1 89 PHE HD2 4.500 . 5.000 2.859 2.287 3.760 . 0 0 "[ . 1 . 2]" 1
929 1 86 ASN HB2 1 89 PHE HD2 4.500 . 5.000 2.931 2.289 4.699 . 0 0 "[ . 1 . 2]" 1
930 1 82 THR MG 1 89 PHE HD2 4.500 . 5.000 4.717 4.193 5.001 0.001 16 0 "[ . 1 . 2]" 1
931 1 83 VAL MG1 1 89 PHE HD2 4.500 . 5.000 3.079 2.520 3.567 . 0 0 "[ . 1 . 2]" 1
932 1 83 VAL MG2 1 89 PHE HD2 4.500 . 5.000 3.700 2.971 4.470 . 0 0 "[ . 1 . 2]" 1
933 1 82 THR MG 1 89 PHE HE2 3.800 . 4.300 3.467 2.543 4.045 . 0 0 "[ . 1 . 2]" 1
934 1 83 VAL MG1 1 89 PHE HE2 4.500 . 5.000 4.687 4.146 4.999 . 0 0 "[ . 1 . 2]" 1
935 1 83 VAL MG2 1 89 PHE HE2 4.500 . 5.000 4.111 3.392 4.797 . 0 0 "[ . 1 . 2]" 1
936 1 87 ASN HA 1 90 TRP HD1 3.800 . 4.300 2.553 2.280 3.434 . 0 0 "[ . 1 . 2]" 1
937 1 90 TRP HA 1 90 TRP HD1 4.500 . 5.000 3.745 3.194 4.305 . 0 0 "[ . 1 . 2]" 1
938 1 89 PHE HB2 1 90 TRP HD1 3.800 . 4.300 3.124 2.470 4.182 . 0 0 "[ . 1 . 2]" 1
939 1 90 TRP HA 1 90 TRP HE3 3.800 . 4.300 3.563 2.543 4.209 . 0 0 "[ . 1 . 2]" 1
940 1 84 ALA MB 1 90 TRP HZ2 4.500 . 5.000 4.223 3.404 4.938 . 0 0 "[ . 1 . 2]" 1
941 1 50 ASP HB3 1 90 TRP HZ2 4.500 . 5.000 3.928 3.055 4.622 . 0 0 "[ . 1 . 2]" 1
942 1 50 ASP HB2 1 90 TRP HZ2 4.500 . 5.000 3.759 2.696 4.885 . 0 0 "[ . 1 . 2]" 1
943 1 84 ALA HA 1 90 TRP HZ2 3.800 . 4.300 3.384 2.301 4.304 0.004 17 0 "[ . 1 . 2]" 1
944 1 3 GLU H 1 3 GLU QG 4.500 . 5.000 2.222 1.914 3.002 . 0 0 "[ . 1 . 2]" 1
945 1 3 GLU QG 1 4 LEU H 4.500 . 5.000 4.147 3.980 4.507 . 0 0 "[ . 1 . 2]" 1
946 1 4 LEU HA 1 4 LEU QD 3.800 . 4.300 2.301 2.039 3.019 . 0 0 "[ . 1 . 2]" 1
947 1 4 LEU QD 1 5 GLU H 4.500 . 5.000 3.446 2.893 3.893 . 0 0 "[ . 1 . 2]" 1
948 1 4 LEU QD 1 7 ALA H 4.500 . 5.000 4.179 3.827 4.658 . 0 0 "[ . 1 . 2]" 1
949 1 4 LEU QD 1 7 ALA MB 3.800 . 4.300 2.968 2.471 3.849 . 0 0 "[ . 1 . 2]" 1
950 1 4 LEU QD 1 8 MET H 3.800 . 4.300 3.759 3.319 4.308 0.008 5 0 "[ . 1 . 2]" 1
951 1 4 LEU QD 1 8 MET ME 4.500 . 5.000 3.794 2.838 4.437 . 0 0 "[ . 1 . 2]" 1
952 1 5 GLU H 1 5 GLU QG 3.800 . 4.300 2.014 1.885 2.207 . 0 0 "[ . 1 . 2]" 1
953 1 5 GLU QB 1 6 THR H 3.800 . 4.300 2.616 2.527 2.698 . 0 0 "[ . 1 . 2]" 1
954 1 5 GLU QB 1 7 ALA H 5.200 . 5.700 4.664 4.572 4.882 . 0 0 "[ . 1 . 2]" 1
955 1 6 THR MG 1 9 GLU QG 4.500 . 5.000 4.357 3.765 4.880 . 0 0 "[ . 1 . 2]" 1
956 1 8 MET H 1 8 MET QG 3.800 . 4.300 2.130 1.805 2.595 . 0 0 "[ . 1 . 2]" 1
957 1 8 MET H 1 11 LEU QD 4.500 . 5.000 4.126 3.767 4.296 . 0 0 "[ . 1 . 2]" 1
958 1 8 MET HA 1 11 LEU QB 4.500 . 5.000 2.858 2.526 3.229 . 0 0 "[ . 1 . 2]" 1
959 1 8 MET HA 1 11 LEU QD 3.800 . 4.300 2.303 2.212 2.626 . 0 0 "[ . 1 . 2]" 1
960 1 8 MET QB 1 8 MET ME 3.800 . 4.300 2.558 2.016 3.600 . 0 0 "[ . 1 . 2]" 1
961 1 8 MET QB 1 9 GLU H 3.800 . 4.300 2.646 2.536 2.743 . 0 0 "[ . 1 . 2]" 1
962 1 8 MET ME 1 11 LEU QD 2.800 . 3.300 2.510 2.195 2.685 . 0 0 "[ . 1 . 2]" 1
963 1 9 GLU QG 1 10 THR H 4.500 . 5.000 4.138 4.020 4.229 . 0 0 "[ . 1 . 2]" 1
964 1 10 THR H 1 11 LEU QD 4.500 . 5.000 4.534 4.421 4.625 . 0 0 "[ . 1 . 2]" 1
965 1 10 THR MG 1 14 VAL QG 3.800 . 4.300 2.938 2.562 3.664 . 0 0 "[ . 1 . 2]" 1
966 1 11 LEU HA 1 14 VAL QG 4.500 . 5.000 3.307 2.375 3.836 . 0 0 "[ . 1 . 2]" 1
967 1 11 LEU QB 1 12 ILE H 3.800 . 4.300 2.583 2.473 2.945 . 0 0 "[ . 1 . 2]" 1
968 1 11 LEU QB 1 74 TYR QE 3.800 . 4.300 2.996 2.283 3.294 . 0 0 "[ . 1 . 2]" 1
969 1 11 LEU QD 1 14 VAL HB 5.200 . 5.700 4.232 3.732 5.596 . 0 0 "[ . 1 . 2]" 1
970 1 11 LEU QD 1 14 VAL QG 4.500 . 5.000 3.787 3.016 4.298 . 0 0 "[ . 1 . 2]" 1
971 1 11 LEU QD 1 41 LEU QD 4.500 . 5.000 4.660 4.126 4.975 . 0 0 "[ . 1 . 2]" 1
972 1 11 LEU QD 1 74 TYR QD 4.500 . 5.000 3.508 3.173 3.903 . 0 0 "[ . 1 . 2]" 1
973 1 11 LEU QD 1 75 VAL QG 2.800 . 3.300 2.288 2.105 2.449 . 0 0 "[ . 1 . 2]" 1
974 1 11 LEU QD 1 78 VAL HB 4.500 . 5.000 3.709 3.477 4.017 . 0 0 "[ . 1 . 2]" 1
975 1 11 LEU QD 1 78 VAL QG 3.800 . 4.300 2.430 2.237 2.664 . 0 0 "[ . 1 . 2]" 1
976 1 11 LEU QD 1 79 ALA MB 5.200 . 5.700 5.004 4.857 5.249 . 0 0 "[ . 1 . 2]" 1
977 1 13 ASN H 1 14 VAL QG 4.500 . 5.000 4.099 3.504 4.324 . 0 0 "[ . 1 . 2]" 1
978 1 13 ASN QB 1 14 VAL H 3.800 . 4.300 2.449 2.178 3.404 . 0 0 "[ . 1 . 2]" 1
979 1 13 ASN QB 1 14 VAL QG 3.800 . 4.300 3.020 2.763 3.896 . 0 0 "[ . 1 . 2]" 1
980 1 14 VAL H 1 14 VAL QG 2.800 . 3.300 2.142 1.788 2.274 0.012 20 0 "[ . 1 . 2]" 1
981 1 14 VAL QG 1 17 ALA H 4.500 . 5.000 4.203 4.032 4.487 . 0 0 "[ . 1 . 2]" 1
982 1 14 VAL QG 1 17 ALA MB 3.800 . 4.300 3.202 2.808 3.790 . 0 0 "[ . 1 . 2]" 1
983 1 14 VAL QG 1 18 HIS H 4.500 . 5.000 4.189 3.816 4.813 . 0 0 "[ . 1 . 2]" 1
984 1 14 VAL QG 1 18 HIS HD2 3.800 . 4.300 2.818 2.025 4.078 . 0 0 "[ . 1 . 2]" 1
985 1 14 VAL QG 1 36 LEU HG 4.500 . 5.000 4.514 3.773 5.002 0.002 7 0 "[ . 1 . 2]" 1
986 1 14 VAL QG 1 36 LEU QD 3.800 . 4.300 2.736 2.248 3.387 . 0 0 "[ . 1 . 2]" 1
987 1 14 VAL QG 1 40 GLU H 5.200 . 5.700 5.393 5.014 5.705 0.005 7 0 "[ . 1 . 2]" 1
988 1 14 VAL QG 1 40 GLU QB 4.500 . 5.000 3.491 2.950 3.932 . 0 0 "[ . 1 . 2]" 1
989 1 14 VAL QG 1 40 GLU HG2 4.500 . 5.000 3.598 2.698 4.419 . 0 0 "[ . 1 . 2]" 1
990 1 14 VAL QG 1 40 GLU HG3 3.800 . 4.300 2.645 2.151 3.997 . 0 0 "[ . 1 . 2]" 1
991 1 14 VAL QG 1 74 TYR QE 4.500 . 5.000 3.744 3.091 4.400 . 0 0 "[ . 1 . 2]" 1
992 1 15 PHE HA 1 36 LEU QD 4.500 . 5.000 3.083 2.568 3.991 . 0 0 "[ . 1 . 2]" 1
993 1 15 PHE QB 1 16 HIS H 3.800 . 4.300 2.427 2.098 2.570 . 0 0 "[ . 1 . 2]" 1
994 1 15 PHE HD1 1 28 LEU QD 4.500 . 5.000 3.891 2.638 4.998 . 0 0 "[ . 1 . 2]" 1
995 1 15 PHE HE1 1 28 LEU QD 5.200 . 5.700 3.018 2.132 4.300 . 0 0 "[ . 1 . 2]" 1
996 1 15 PHE HE2 1 28 LEU QD 5.200 . 5.700 4.249 2.308 5.294 . 0 0 "[ . 1 . 2]" 1
997 1 15 PHE HD2 1 28 LEU QD 5.200 . 5.700 4.947 3.546 5.649 . 0 0 "[ . 1 . 2]" 1
998 1 16 HIS QB 1 17 ALA H 3.800 . 4.300 2.846 2.535 3.080 . 0 0 "[ . 1 . 2]" 1
999 1 18 HIS H 1 28 LEU QD 4.500 . 5.000 4.744 4.309 5.013 0.013 10 0 "[ . 1 . 2]" 1
1000 1 18 HIS H 1 36 LEU QD 4.500 . 5.000 3.837 3.467 4.408 . 0 0 "[ . 1 . 2]" 1
1001 1 18 HIS HA 1 21 LYS QG 4.500 . 5.000 3.520 2.194 4.885 . 0 0 "[ . 1 . 2]" 1
1002 1 18 HIS HA 1 21 LYS QD 4.500 . 5.000 3.913 2.396 4.990 . 0 0 "[ . 1 . 2]" 1
1003 1 18 HIS HA 1 21 LYS QE 4.500 . 5.000 3.141 2.281 4.349 . 0 0 "[ . 1 . 2]" 1
1004 1 18 HIS HA 1 28 LEU QD 5.200 . 5.700 4.707 4.117 5.547 . 0 0 "[ . 1 . 2]" 1
1005 1 18 HIS HB2 1 28 LEU QD 3.800 . 4.300 3.221 2.805 3.639 . 0 0 "[ . 1 . 2]" 1
1006 1 18 HIS HB2 1 36 LEU QD 4.500 . 5.000 2.320 2.145 2.720 . 0 0 "[ . 1 . 2]" 1
1007 1 18 HIS HB3 1 28 LEU QD 4.500 . 5.000 3.129 2.425 3.941 . 0 0 "[ . 1 . 2]" 1
1008 1 18 HIS HB3 1 36 LEU QD 4.500 . 5.000 2.634 2.156 3.484 . 0 0 "[ . 1 . 2]" 1
1009 1 18 HIS HD2 1 36 LEU QD 4.500 . 5.000 2.621 2.133 3.931 . 0 0 "[ . 1 . 2]" 1
1010 1 19 SER HA 1 28 LEU QD 3.800 . 4.300 2.942 2.252 3.797 . 0 0 "[ . 1 . 2]" 1
1011 1 19 SER QB 1 20 GLY H 4.500 . 5.000 2.999 2.530 3.621 . 0 0 "[ . 1 . 2]" 1
1012 1 20 GLY QA 1 25 LYS H 4.500 . 5.000 4.373 2.200 4.943 . 0 0 "[ . 1 . 2]" 1
1013 1 21 LYS H 1 21 LYS QG 3.800 . 4.300 3.061 2.139 4.245 . 0 0 "[ . 1 . 2]" 1
1014 1 21 LYS HA 1 21 LYS QD 4.500 . 5.000 3.669 2.247 4.140 . 0 0 "[ . 1 . 2]" 1
1015 1 21 LYS QB 1 22 GLU H 3.800 . 4.300 2.500 1.788 3.910 0.012 1 0 "[ . 1 . 2]" 1
1016 1 22 GLU QG 1 23 GLY H 4.500 . 5.000 3.388 2.029 4.242 . 0 0 "[ . 1 . 2]" 1
1017 1 24 ASP QB 1 25 LYS H 4.500 . 5.000 3.302 1.910 3.946 . 0 0 "[ . 1 . 2]" 1
1018 1 24 ASP QB 1 27 LYS H 3.800 . 4.300 3.128 2.066 4.094 . 0 0 "[ . 1 . 2]" 1
1019 1 24 ASP QB 1 27 LYS QD 4.500 . 5.000 4.246 2.346 4.987 . 0 0 "[ . 1 . 2]" 1
1020 1 24 ASP QB 1 27 LYS QE 4.500 . 5.000 3.618 2.167 4.978 . 0 0 "[ . 1 . 2]" 1
1021 1 25 LYS H 1 25 LYS QG 3.800 . 4.300 3.007 1.792 4.193 0.008 15 0 "[ . 1 . 2]" 1
1022 1 25 LYS QG 1 26 TYR H 4.500 . 5.000 3.875 2.271 4.454 . 0 0 "[ . 1 . 2]" 1
1023 1 26 TYR QB 1 27 LYS H 3.800 . 4.300 3.056 2.399 4.054 . 0 0 "[ . 1 . 2]" 1
1024 1 27 LYS H 1 27 LYS QD 4.500 . 5.000 3.982 1.908 5.024 0.024 17 0 "[ . 1 . 2]" 1
1025 1 27 LYS H 1 27 LYS QE 4.500 . 5.000 4.515 3.683 4.978 . 0 0 "[ . 1 . 2]" 1
1026 1 27 LYS HA 1 27 LYS QD 3.800 . 4.300 3.991 3.446 4.267 . 0 0 "[ . 1 . 2]" 1
1027 1 27 LYS QD 1 68 GLU QB 4.500 . 5.000 2.726 2.264 3.614 . 0 0 "[ . 1 . 2]" 1
1028 1 27 LYS QE 1 68 GLU QG 5.200 . 5.700 4.413 2.459 5.624 . 0 0 "[ . 1 . 2]" 1
1029 1 28 LEU H 1 28 LEU QD 4.500 . 5.000 3.705 2.883 3.926 . 0 0 "[ . 1 . 2]" 1
1030 1 28 LEU H 1 68 GLU QB 4.500 . 5.000 3.476 2.563 4.679 . 0 0 "[ . 1 . 2]" 1
1031 1 28 LEU QB 1 29 SER H 3.800 . 4.300 3.692 2.836 3.903 . 0 0 "[ . 1 . 2]" 1
1032 1 28 LEU QB 1 69 VAL QG 3.800 . 4.300 2.359 2.160 2.714 . 0 0 "[ . 1 . 2]" 1
1033 1 28 LEU QD 1 29 SER H 3.800 . 4.300 2.226 1.886 2.670 . 0 0 "[ . 1 . 2]" 1
1034 1 28 LEU QD 1 32 GLN H 3.800 . 4.300 3.791 3.543 4.157 . 0 0 "[ . 1 . 2]" 1
1035 1 28 LEU QD 1 32 GLN HA 4.500 . 5.000 4.326 3.946 4.622 . 0 0 "[ . 1 . 2]" 1
1036 1 28 LEU QD 1 32 GLN QB 3.800 . 4.300 2.207 1.908 2.523 . 0 0 "[ . 1 . 2]" 1
1037 1 28 LEU QD 1 33 LEU H 3.800 . 4.300 2.931 2.697 3.423 . 0 0 "[ . 1 . 2]" 1
1038 1 28 LEU QD 1 33 LEU HA 3.800 . 4.300 2.616 2.304 2.915 . 0 0 "[ . 1 . 2]" 1
1039 1 28 LEU QD 1 33 LEU QD 3.800 . 4.300 2.366 1.821 2.951 . 0 0 "[ . 1 . 2]" 1
1040 1 28 LEU QD 1 34 LYS H 4.500 . 5.000 4.784 4.609 5.051 0.051 19 0 "[ . 1 . 2]" 1
1041 1 28 LEU QD 1 36 LEU HG 4.500 . 5.000 4.366 4.010 4.821 . 0 0 "[ . 1 . 2]" 1
1042 1 28 LEU QD 1 36 LEU QD 3.800 . 4.300 2.203 1.922 2.599 . 0 0 "[ . 1 . 2]" 1
1043 1 28 LEU QD 1 69 VAL QG 3.800 . 4.300 2.947 2.478 3.832 . 0 0 "[ . 1 . 2]" 1
1044 1 29 SER H 1 32 GLN QB 3.800 . 4.300 3.153 2.150 3.542 . 0 0 "[ . 1 . 2]" 1
1045 1 29 SER HA 1 68 GLU QB 4.500 . 5.000 3.068 2.669 3.818 . 0 0 "[ . 1 . 2]" 1
1046 1 29 SER HA 1 68 GLU QG 4.500 . 5.000 4.584 2.279 5.016 0.016 16 0 "[ . 1 . 2]" 1
1047 1 29 SER QB 1 30 LYS H 3.800 . 4.300 3.226 2.569 3.690 . 0 0 "[ . 1 . 2]" 1
1048 1 29 SER QB 1 31 LYS H 4.500 . 5.000 3.400 2.834 4.076 . 0 0 "[ . 1 . 2]" 1
1049 1 30 LYS H 1 30 LYS QD 4.500 . 5.000 3.776 1.788 4.535 0.012 7 0 "[ . 1 . 2]" 1
1050 1 30 LYS H 1 30 LYS QE 4.500 . 5.000 4.441 3.679 4.992 . 0 0 "[ . 1 . 2]" 1
1051 1 30 LYS H 1 68 GLU QB 4.500 . 5.000 4.212 3.749 4.673 . 0 0 "[ . 1 . 2]" 1
1052 1 30 LYS HA 1 33 LEU QD 4.500 . 5.000 3.138 2.852 3.989 . 0 0 "[ . 1 . 2]" 1
1053 1 30 LYS HA 1 61 LEU QD 3.800 . 4.300 3.201 2.333 3.596 . 0 0 "[ . 1 . 2]" 1
1054 1 30 LYS QB 1 31 LYS H 3.800 . 4.300 2.551 2.380 2.824 . 0 0 "[ . 1 . 2]" 1
1055 1 30 LYS QB 1 61 LEU QD 3.800 . 4.300 2.536 2.143 3.781 . 0 0 "[ . 1 . 2]" 1
1056 1 30 LYS QB 1 69 VAL QG 4.500 . 5.000 3.865 2.793 4.449 . 0 0 "[ . 1 . 2]" 1
1057 1 30 LYS QD 1 61 LEU QD 3.800 . 4.300 2.777 2.137 3.647 . 0 0 "[ . 1 . 2]" 1
1058 1 30 LYS QD 1 69 VAL QG 3.800 . 4.300 3.419 2.141 3.896 . 0 0 "[ . 1 . 2]" 1
1059 1 30 LYS QE 1 61 LEU QD 3.800 . 4.300 3.890 3.379 4.307 0.007 7 0 "[ . 1 . 2]" 1
1060 1 30 LYS QE 1 67 GLY H 4.500 . 5.000 4.404 3.588 5.009 0.009 3 0 "[ . 1 . 2]" 1
1061 1 30 LYS QE 1 68 GLU H 4.500 . 5.000 2.947 2.217 4.025 . 0 0 "[ . 1 . 2]" 1
1062 1 30 LYS QE 1 69 VAL QG 3.800 . 4.300 2.395 1.945 3.129 . 0 0 "[ . 1 . 2]" 1
1063 1 31 LYS H 1 31 LYS QG 3.800 . 4.300 3.747 1.772 4.041 0.028 17 0 "[ . 1 . 2]" 1
1064 1 31 LYS H 1 31 LYS QD 4.500 . 5.000 4.245 3.746 4.411 . 0 0 "[ . 1 . 2]" 1
1065 1 31 LYS HA 1 31 LYS QG 3.800 . 4.300 2.463 2.266 3.274 . 0 0 "[ . 1 . 2]" 1
1066 1 31 LYS HA 1 34 LYS QD 4.500 . 5.000 3.707 2.421 4.460 . 0 0 "[ . 1 . 2]" 1
1067 1 31 LYS HB2 1 31 LYS QE 4.500 . 5.000 3.932 3.812 4.205 . 0 0 "[ . 1 . 2]" 1
1068 1 31 LYS HB3 1 31 LYS QE 4.500 . 5.000 4.110 3.288 4.532 . 0 0 "[ . 1 . 2]" 1
1069 1 31 LYS QG 1 32 GLN H 3.800 . 4.300 3.522 1.793 4.021 0.007 17 0 "[ . 1 . 2]" 1
1070 1 31 LYS QG 1 32 GLN HA 4.500 . 5.000 3.800 3.504 4.308 . 0 0 "[ . 1 . 2]" 1
1071 1 31 LYS QD 1 32 GLN H 4.500 . 5.000 4.425 2.871 4.947 . 0 0 "[ . 1 . 2]" 1
1072 1 32 GLN HA 1 35 GLU QB 4.500 . 5.000 3.242 2.469 3.665 . 0 0 "[ . 1 . 2]" 1
1073 1 32 GLN HA 1 35 GLU QG 4.500 . 5.000 4.210 3.234 5.026 0.026 2 0 "[ . 1 . 2]" 1
1074 1 32 GLN QB 1 33 LEU H 3.800 . 4.300 2.790 2.565 2.987 . 0 0 "[ . 1 . 2]" 1
1075 1 33 LEU HA 1 36 LEU QB 4.500 . 5.000 2.344 2.232 4.110 . 0 0 "[ . 1 . 2]" 1
1076 1 33 LEU HG 1 37 LEU QD 3.800 . 4.300 3.293 2.679 4.298 . 0 0 "[ . 1 . 2]" 1
1077 1 33 LEU HG 1 61 LEU QD 4.500 . 5.000 3.100 2.361 3.974 . 0 0 "[ . 1 . 2]" 1
1078 1 33 LEU QD 1 36 LEU H 4.500 . 5.000 4.250 3.667 4.798 . 0 0 "[ . 1 . 2]" 1
1079 1 33 LEU QD 1 36 LEU QB 3.800 . 4.300 2.704 2.241 4.124 . 0 0 "[ . 1 . 2]" 1
1080 1 33 LEU QD 1 36 LEU QD 3.800 . 4.300 2.516 2.065 3.563 . 0 0 "[ . 1 . 2]" 1
1081 1 33 LEU QD 1 37 LEU H 3.800 . 4.300 3.325 2.553 4.168 . 0 0 "[ . 1 . 2]" 1
1082 1 33 LEU QD 1 37 LEU HG 4.500 . 5.000 4.813 4.218 5.016 0.016 6 0 "[ . 1 . 2]" 1
1083 1 33 LEU QD 1 37 LEU QD 3.800 . 4.300 2.601 2.050 2.875 . 0 0 "[ . 1 . 2]" 1
1084 1 33 LEU QD 1 57 VAL QG 4.500 . 5.000 4.316 3.701 5.012 0.012 7 0 "[ . 1 . 2]" 1
1085 1 33 LEU QD 1 61 LEU QD 3.800 . 4.300 2.216 1.830 2.665 . 0 0 "[ . 1 . 2]" 1
1086 1 33 LEU QD 1 74 TYR H 4.500 . 5.000 4.485 4.196 4.798 . 0 0 "[ . 1 . 2]" 1
1087 1 33 LEU QD 1 74 TYR QB 4.500 . 5.000 2.959 2.485 3.332 . 0 0 "[ . 1 . 2]" 1
1088 1 33 LEU QD 1 74 TYR QE 4.500 . 5.000 3.706 3.378 4.300 . 0 0 "[ . 1 . 2]" 1
1089 1 33 LEU QD 1 77 LEU H 5.200 . 5.700 5.050 4.834 5.339 . 0 0 "[ . 1 . 2]" 1
1090 1 33 LEU QD 1 77 LEU HB3 4.500 . 5.000 4.214 3.580 4.468 . 0 0 "[ . 1 . 2]" 1
1091 1 33 LEU QD 1 77 LEU QD 3.800 . 4.300 1.954 1.818 2.122 . 0 0 "[ . 1 . 2]" 1
1092 1 33 LEU QD 1 78 VAL QG 4.500 . 5.000 4.314 3.774 4.687 . 0 0 "[ . 1 . 2]" 1
1093 1 34 LYS H 1 34 LYS QD 4.500 . 5.000 4.067 3.402 4.418 . 0 0 "[ . 1 . 2]" 1
1094 1 34 LYS H 1 35 GLU QB 4.500 . 5.000 4.730 4.464 4.976 . 0 0 "[ . 1 . 2]" 1
1095 1 34 LYS H 1 61 LEU QD 3.800 . 4.300 2.860 2.159 3.559 . 0 0 "[ . 1 . 2]" 1
1096 1 34 LYS HA 1 37 LEU QB 4.500 . 5.000 3.141 2.395 3.493 . 0 0 "[ . 1 . 2]" 1
1097 1 34 LYS HA 1 37 LEU QD 3.800 . 4.300 3.817 2.923 4.278 . 0 0 "[ . 1 . 2]" 1
1098 1 34 LYS HA 1 61 LEU QD 3.800 . 4.300 2.288 2.098 2.462 . 0 0 "[ . 1 . 2]" 1
1099 1 34 LYS HB2 1 61 LEU QD 4.500 . 5.000 2.654 2.143 3.259 . 0 0 "[ . 1 . 2]" 1
1100 1 34 LYS HB3 1 61 LEU QD 4.500 . 5.000 3.190 2.028 4.259 . 0 0 "[ . 1 . 2]" 1
1101 1 34 LYS HG2 1 61 LEU QD 4.500 . 5.000 4.340 3.847 4.799 . 0 0 "[ . 1 . 2]" 1
1102 1 34 LYS HG3 1 61 LEU QD 4.500 . 5.000 3.843 3.152 4.893 . 0 0 "[ . 1 . 2]" 1
1103 1 34 LYS QE 1 61 LEU QD 4.500 . 5.000 4.398 3.687 5.001 0.001 19 0 "[ . 1 . 2]" 1
1104 1 35 GLU H 1 35 GLU QB 2.800 . 3.300 2.350 2.253 2.472 . 0 0 "[ . 1 . 2]" 1
1105 1 35 GLU H 1 35 GLU QG 3.800 . 4.300 2.972 2.036 4.036 . 0 0 "[ . 1 . 2]" 1
1106 1 35 GLU H 1 36 LEU QB 4.500 . 5.000 4.288 4.144 4.742 . 0 0 "[ . 1 . 2]" 1
1107 1 35 GLU HA 1 38 GLN QB 4.500 . 5.000 3.850 2.365 4.723 . 0 0 "[ . 1 . 2]" 1
1108 1 35 GLU HA 1 38 GLN QG 4.500 . 5.000 2.757 2.236 4.211 . 0 0 "[ . 1 . 2]" 1
1109 1 35 GLU QB 1 36 LEU H 3.800 . 4.300 2.491 2.303 2.921 . 0 0 "[ . 1 . 2]" 1
1110 1 35 GLU QG 1 36 LEU H 4.500 . 5.000 3.852 3.174 4.579 . 0 0 "[ . 1 . 2]" 1
1111 1 36 LEU H 1 36 LEU QB 2.800 . 3.300 2.254 2.234 2.365 . 0 0 "[ . 1 . 2]" 1
1112 1 36 LEU HG 1 78 VAL QG 5.200 . 5.700 5.154 4.818 5.697 . 0 0 "[ . 1 . 2]" 1
1113 1 36 LEU QD 1 37 LEU HA 3.800 . 4.300 3.884 2.652 4.050 . 0 0 "[ . 1 . 2]" 1
1114 1 36 LEU QD 1 37 LEU HG 5.200 . 5.700 5.656 4.876 5.741 0.041 14 0 "[ . 1 . 2]" 1
1115 1 36 LEU QD 1 40 GLU H 4.500 . 5.000 3.510 3.158 3.910 . 0 0 "[ . 1 . 2]" 1
1116 1 36 LEU QD 1 40 GLU QB 3.800 . 4.300 3.453 3.093 3.771 . 0 0 "[ . 1 . 2]" 1
1117 1 36 LEU QD 1 40 GLU HG2 4.500 . 5.000 2.373 2.211 3.468 . 0 0 "[ . 1 . 2]" 1
1118 1 37 LEU HA 1 37 LEU QD 3.800 . 4.300 2.212 2.116 2.239 . 0 0 "[ . 1 . 2]" 1
1119 1 37 LEU HA 1 41 LEU QD 4.500 . 5.000 3.297 2.684 3.718 . 0 0 "[ . 1 . 2]" 1
1120 1 37 LEU HA 1 78 VAL QG 4.500 . 5.000 4.058 3.697 4.395 . 0 0 "[ . 1 . 2]" 1
1121 1 37 LEU QB 1 38 GLN H 3.800 . 4.300 2.189 1.987 2.591 . 0 0 "[ . 1 . 2]" 1
1122 1 37 LEU QB 1 58 MET ME 3.800 . 4.300 2.877 2.209 3.379 . 0 0 "[ . 1 . 2]" 1
1123 1 37 LEU QB 1 81 LEU QD 4.500 . 5.000 3.799 3.318 4.379 . 0 0 "[ . 1 . 2]" 1
1124 1 37 LEU QD 1 41 LEU H 4.500 . 5.000 4.818 4.311 5.021 0.021 6 0 "[ . 1 . 2]" 1
1125 1 37 LEU QD 1 41 LEU HB2 4.500 . 5.000 4.078 3.702 4.318 . 0 0 "[ . 1 . 2]" 1
1126 1 37 LEU QD 1 41 LEU QD 3.800 . 4.300 2.692 2.289 3.001 . 0 0 "[ . 1 . 2]" 1
1127 1 37 LEU QD 1 45 LEU QD 4.500 . 5.000 3.763 3.408 4.300 . 0 0 "[ . 1 . 2]" 1
1128 1 37 LEU QD 1 57 VAL QG 3.800 . 4.300 2.657 2.282 3.034 . 0 0 "[ . 1 . 2]" 1
1129 1 37 LEU QD 1 58 MET ME 3.800 . 4.300 2.152 1.896 2.549 . 0 0 "[ . 1 . 2]" 1
1130 1 37 LEU QD 1 61 LEU QD 3.800 . 4.300 3.020 2.220 3.523 . 0 0 "[ . 1 . 2]" 1
1131 1 37 LEU QD 1 74 TYR QE 4.500 . 5.000 3.119 2.317 3.992 . 0 0 "[ . 1 . 2]" 1
1132 1 37 LEU QD 1 77 LEU HB2 3.800 . 4.300 2.387 2.249 2.528 . 0 0 "[ . 1 . 2]" 1
1133 1 37 LEU QD 1 77 LEU HB3 4.500 . 5.000 2.275 2.142 2.436 . 0 0 "[ . 1 . 2]" 1
1134 1 37 LEU QD 1 77 LEU HG 4.500 . 5.000 4.040 3.835 4.178 . 0 0 "[ . 1 . 2]" 1
1135 1 37 LEU QD 1 77 LEU QD 3.800 . 4.300 2.300 2.057 2.598 . 0 0 "[ . 1 . 2]" 1
1136 1 37 LEU QD 1 78 VAL H 3.800 . 4.300 3.173 2.673 3.641 . 0 0 "[ . 1 . 2]" 1
1137 1 37 LEU QD 1 78 VAL HA 3.800 . 4.300 3.186 2.592 3.833 . 0 0 "[ . 1 . 2]" 1
1138 1 37 LEU QD 1 78 VAL QG 2.800 . 3.300 2.555 1.966 3.034 . 0 0 "[ . 1 . 2]" 1
1139 1 37 LEU QD 1 81 LEU HB2 4.500 . 5.000 3.904 3.371 4.354 . 0 0 "[ . 1 . 2]" 1
1140 1 37 LEU QD 1 81 LEU QD 3.800 . 4.300 1.901 1.785 2.104 0.015 20 0 "[ . 1 . 2]" 1
1141 1 38 GLN H 1 38 GLN QG 3.800 . 4.300 2.268 1.777 3.906 0.023 3 0 "[ . 1 . 2]" 1
1142 1 38 GLN H 1 45 LEU QD 4.500 . 5.000 4.175 3.893 4.590 . 0 0 "[ . 1 . 2]" 1
1143 1 38 GLN HA 1 45 LEU QD 3.800 . 4.300 2.255 2.011 2.560 . 0 0 "[ . 1 . 2]" 1
1144 1 38 GLN QB 1 39 THR H 3.800 . 4.300 2.982 2.359 3.412 . 0 0 "[ . 1 . 2]" 1
1145 1 38 GLN QB 1 45 LEU QD 4.500 . 5.000 2.382 1.962 3.400 . 0 0 "[ . 1 . 2]" 1
1146 1 38 GLN QB 1 58 MET ME 3.800 . 4.300 3.088 2.330 4.142 . 0 0 "[ . 1 . 2]" 1
1147 1 38 GLN QG 1 45 LEU QD 4.500 . 5.000 3.387 2.192 4.120 . 0 0 "[ . 1 . 2]" 1
1148 1 39 THR H 1 45 LEU QD 4.500 . 5.000 4.791 4.523 5.031 0.031 20 0 "[ . 1 . 2]" 1
1149 1 39 THR HA 1 42 SER QB 3.800 . 4.300 3.185 2.271 3.960 . 0 0 "[ . 1 . 2]" 1
1150 1 40 GLU QB 1 41 LEU H 3.800 . 4.300 2.449 2.340 2.582 . 0 0 "[ . 1 . 2]" 1
1151 1 41 LEU H 1 41 LEU QD 3.800 . 4.300 2.741 1.918 3.304 . 0 0 "[ . 1 . 2]" 1
1152 1 41 LEU H 1 42 SER QB 4.500 . 5.000 4.608 4.288 4.991 . 0 0 "[ . 1 . 2]" 1
1153 1 41 LEU H 1 45 LEU QD 4.500 . 5.000 4.140 3.627 4.691 . 0 0 "[ . 1 . 2]" 1
1154 1 41 LEU HA 1 41 LEU QD 3.800 . 4.300 2.146 1.945 2.529 . 0 0 "[ . 1 . 2]" 1
1155 1 41 LEU HB2 1 45 LEU QD 3.800 . 4.300 2.972 2.106 3.452 . 0 0 "[ . 1 . 2]" 1
1156 1 41 LEU HB3 1 45 LEU QD 4.500 . 5.000 3.202 1.974 3.825 . 0 0 "[ . 1 . 2]" 1
1157 1 41 LEU QD 1 44 PHE H 4.500 . 5.000 3.973 3.498 4.707 . 0 0 "[ . 1 . 2]" 1
1158 1 41 LEU QD 1 44 PHE HE2 4.500 . 5.000 4.037 3.112 5.017 0.017 7 0 "[ . 1 . 2]" 1
1159 1 41 LEU QD 1 44 PHE HD2 3.800 . 4.300 3.036 2.111 3.747 . 0 0 "[ . 1 . 2]" 1
1160 1 41 LEU QD 1 45 LEU HG 4.500 . 5.000 4.371 3.820 4.966 . 0 0 "[ . 1 . 2]" 1
1161 1 41 LEU QD 1 45 LEU QD 3.800 . 4.300 3.556 2.552 3.983 . 0 0 "[ . 1 . 2]" 1
1162 1 41 LEU QD 1 78 VAL HA 3.800 . 4.300 2.479 2.243 3.223 . 0 0 "[ . 1 . 2]" 1
1163 1 41 LEU QD 1 78 VAL QG 3.800 . 4.300 2.397 2.201 2.659 . 0 0 "[ . 1 . 2]" 1
1164 1 41 LEU QD 1 81 LEU HB2 4.500 . 5.000 2.536 2.103 2.962 . 0 0 "[ . 1 . 2]" 1
1165 1 41 LEU QD 1 81 LEU HB3 4.500 . 5.000 2.796 2.262 3.224 . 0 0 "[ . 1 . 2]" 1
1166 1 41 LEU QD 1 81 LEU QD 3.800 . 4.300 2.200 1.880 3.055 . 0 0 "[ . 1 . 2]" 1
1167 1 41 LEU QD 1 82 THR H 4.500 . 5.000 4.001 3.311 4.370 . 0 0 "[ . 1 . 2]" 1
1168 1 42 SER H 1 45 LEU QD 4.500 . 5.000 3.852 3.355 4.339 . 0 0 "[ . 1 . 2]" 1
1169 1 42 SER HA 1 45 LEU QB 3.800 . 4.300 2.837 2.263 3.183 . 0 0 "[ . 1 . 2]" 1
1170 1 42 SER HA 1 45 LEU QD 3.800 . 4.300 2.425 2.135 3.548 . 0 0 "[ . 1 . 2]" 1
1171 1 43 GLY H 1 45 LEU QD 5.200 . 5.700 4.607 4.199 4.969 . 0 0 "[ . 1 . 2]" 1
1172 1 43 GLY QA 1 44 PHE H 3.800 . 4.300 2.677 2.434 2.809 . 0 0 "[ . 1 . 2]" 1
1173 1 44 PHE HA 1 85 CYS QB 4.500 . 5.000 4.126 3.628 4.803 . 0 0 "[ . 1 . 2]" 1
1174 1 44 PHE QB 1 45 LEU H 3.800 . 4.300 2.652 2.440 2.760 . 0 0 "[ . 1 . 2]" 1
1175 1 44 PHE QB 1 85 CYS QB 3.800 . 4.300 3.140 2.276 4.070 . 0 0 "[ . 1 . 2]" 1
1176 1 45 LEU HA 1 45 LEU QD 3.800 . 4.300 2.206 1.940 2.521 . 0 0 "[ . 1 . 2]" 1
1177 1 45 LEU HA 1 48 GLN QE 3.800 . 4.300 3.092 1.988 4.256 . 0 0 "[ . 1 . 2]" 1
1178 1 45 LEU HA 1 54 VAL QG 4.500 . 5.000 4.080 3.612 4.421 . 0 0 "[ . 1 . 2]" 1
1179 1 45 LEU QB 1 46 ASP H 3.800 . 4.300 2.873 2.661 3.116 . 0 0 "[ . 1 . 2]" 1
1180 1 45 LEU QB 1 48 GLN QE 4.500 . 5.000 3.565 2.353 4.874 . 0 0 "[ . 1 . 2]" 1
1181 1 45 LEU HG 1 81 LEU QD 5.200 . 5.700 3.734 3.289 4.200 . 0 0 "[ . 1 . 2]" 1
1182 1 45 LEU QD 1 46 ASP H 4.500 . 5.000 4.149 3.801 4.320 . 0 0 "[ . 1 . 2]" 1
1183 1 45 LEU QD 1 47 ALA H 5.200 . 5.700 4.925 4.411 5.438 . 0 0 "[ . 1 . 2]" 1
1184 1 45 LEU QD 1 48 GLN QE 3.800 . 4.300 2.463 1.838 3.629 . 0 0 "[ . 1 . 2]" 1
1185 1 45 LEU QD 1 54 VAL HB 4.500 . 5.000 4.453 3.805 5.011 0.011 19 0 "[ . 1 . 2]" 1
1186 1 45 LEU QD 1 54 VAL QG 3.800 . 4.300 2.412 1.911 2.867 . 0 0 "[ . 1 . 2]" 1
1187 1 45 LEU QD 1 81 LEU HB3 4.500 . 5.000 4.185 3.432 5.007 0.007 6 0 "[ . 1 . 2]" 1
1188 1 45 LEU QD 1 81 LEU HG 4.500 . 5.000 4.070 3.397 4.937 . 0 0 "[ . 1 . 2]" 1
1189 1 45 LEU QD 1 81 LEU QD 3.800 . 4.300 2.743 2.152 3.405 . 0 0 "[ . 1 . 2]" 1
1190 1 48 GLN HB2 1 51 VAL QG 4.500 . 5.000 3.827 3.098 4.780 . 0 0 "[ . 1 . 2]" 1
1191 1 48 GLN HB2 1 54 VAL QG 3.800 . 4.300 3.741 2.660 4.301 0.001 16 0 "[ . 1 . 2]" 1
1192 1 48 GLN HB3 1 54 VAL QG 4.500 . 5.000 3.011 2.568 3.395 . 0 0 "[ . 1 . 2]" 1
1193 1 48 GLN QE 1 54 VAL QG 3.800 . 4.300 2.549 1.830 3.543 . 0 0 "[ . 1 . 2]" 1
1194 1 49 LYS H 1 49 LYS QD 4.500 . 5.000 4.286 2.246 4.911 . 0 0 "[ . 1 . 2]" 1
1195 1 49 LYS HA 1 49 LYS QG 3.800 . 4.300 2.351 2.229 2.619 . 0 0 "[ . 1 . 2]" 1
1196 1 49 LYS HA 1 49 LYS QD 3.800 . 4.300 3.572 2.250 3.970 . 0 0 "[ . 1 . 2]" 1
1197 1 49 LYS QB 1 50 ASP H 3.800 . 4.300 2.774 2.237 3.282 . 0 0 "[ . 1 . 2]" 1
1198 1 49 LYS QG 1 50 ASP H 4.500 . 5.000 3.999 3.511 4.792 . 0 0 "[ . 1 . 2]" 1
1199 1 49 LYS QE 1 87 ASN HA 4.500 . 5.000 4.389 2.424 5.009 0.009 14 0 "[ . 1 . 2]" 1
1200 1 50 ASP H 1 54 VAL QG 4.500 . 5.000 4.289 3.662 4.740 . 0 0 "[ . 1 . 2]" 1
1201 1 50 ASP HA 1 51 VAL QG 3.800 . 4.300 3.750 3.606 4.097 . 0 0 "[ . 1 . 2]" 1
1202 1 50 ASP QB 1 51 VAL H 3.800 . 4.300 3.921 3.732 4.050 . 0 0 "[ . 1 . 2]" 1
1203 1 50 ASP QB 1 53 ALA MB 3.800 . 4.300 2.934 2.203 3.675 . 0 0 "[ . 1 . 2]" 1
1204 1 50 ASP QB 1 84 ALA HA 3.800 . 4.300 2.958 2.511 3.661 . 0 0 "[ . 1 . 2]" 1
1205 1 50 ASP QB 1 84 ALA MB 3.800 . 4.300 2.555 2.198 2.975 . 0 0 "[ . 1 . 2]" 1
1206 1 50 ASP QB 1 90 TRP HZ2 3.800 . 4.300 3.379 2.567 4.080 . 0 0 "[ . 1 . 2]" 1
1207 1 50 ASP QB 1 90 TRP HH2 4.500 . 5.000 3.837 2.541 4.904 . 0 0 "[ . 1 . 2]" 1
1208 1 51 VAL H 1 51 VAL QG 3.800 . 4.300 2.140 1.898 2.596 . 0 0 "[ . 1 . 2]" 1
1209 1 51 VAL H 1 52 ASP QB 4.500 . 5.000 4.415 3.944 4.874 . 0 0 "[ . 1 . 2]" 1
1210 1 51 VAL HA 1 51 VAL QG 2.800 . 3.300 2.199 2.045 2.281 . 0 0 "[ . 1 . 2]" 1
1211 1 51 VAL HA 1 54 VAL QG 3.800 . 4.300 2.570 2.110 3.014 . 0 0 "[ . 1 . 2]" 1
1212 1 51 VAL QG 1 52 ASP H 2.800 . 3.300 2.332 1.937 3.301 0.001 15 0 "[ . 1 . 2]" 1
1213 1 51 VAL QG 1 52 ASP HA 3.800 . 4.300 3.015 2.893 3.398 . 0 0 "[ . 1 . 2]" 1
1214 1 51 VAL QG 1 52 ASP QB 4.500 . 5.000 3.490 3.063 4.504 . 0 0 "[ . 1 . 2]" 1
1215 1 51 VAL QG 1 54 VAL HB 3.800 . 4.300 2.725 2.208 3.183 . 0 0 "[ . 1 . 2]" 1
1216 1 51 VAL QG 1 54 VAL QG 4.500 . 5.000 3.052 2.614 3.465 . 0 0 "[ . 1 . 2]" 1
1217 1 51 VAL QG 1 55 ASP H 4.500 . 5.000 3.264 2.853 3.508 . 0 0 "[ . 1 . 2]" 1
1218 1 51 VAL QG 1 55 ASP HA 4.500 . 5.000 4.194 3.773 4.788 . 0 0 "[ . 1 . 2]" 1
1219 1 51 VAL QG 1 55 ASP HB2 4.500 . 5.000 2.936 2.205 3.972 . 0 0 "[ . 1 . 2]" 1
1220 1 51 VAL QG 1 55 ASP HB3 4.500 . 5.000 3.916 3.151 4.486 . 0 0 "[ . 1 . 2]" 1
1221 1 52 ASP H 1 52 ASP QB 2.800 . 3.300 2.324 2.227 2.586 . 0 0 "[ . 1 . 2]" 1
1222 1 53 ALA H 1 54 VAL QG 4.500 . 5.000 3.832 3.632 4.081 . 0 0 "[ . 1 . 2]" 1
1223 1 53 ALA HA 1 54 VAL QG 4.500 . 5.000 4.704 4.561 4.813 . 0 0 "[ . 1 . 2]" 1
1224 1 53 ALA HA 1 56 LYS QB 3.800 . 4.300 3.004 2.295 4.086 . 0 0 "[ . 1 . 2]" 1
1225 1 53 ALA HA 1 56 LYS QD 4.500 . 5.000 2.937 2.302 3.552 . 0 0 "[ . 1 . 2]" 1
1226 1 53 ALA HA 1 57 VAL QG 5.200 . 5.700 4.427 3.830 5.452 . 0 0 "[ . 1 . 2]" 1
1227 1 53 ALA MB 1 54 VAL QG 3.800 . 4.300 3.033 2.853 3.206 . 0 0 "[ . 1 . 2]" 1
1228 1 53 ALA MB 1 56 LYS QG 4.500 . 5.000 4.693 3.955 5.026 0.026 12 0 "[ . 1 . 2]" 1
1229 1 53 ALA MB 1 57 VAL QG 4.500 . 5.000 3.933 3.183 4.847 . 0 0 "[ . 1 . 2]" 1
1230 1 53 ALA MB 1 81 LEU QD 4.500 . 5.000 4.493 3.899 5.034 0.034 13 0 "[ . 1 . 2]" 1
1231 1 54 VAL H 1 54 VAL QG 2.800 . 3.300 2.087 1.849 2.363 . 0 0 "[ . 1 . 2]" 1
1232 1 54 VAL HA 1 57 VAL QG 3.800 . 4.300 3.071 2.142 3.684 . 0 0 "[ . 1 . 2]" 1
1233 1 54 VAL HA 1 81 LEU QD 3.800 . 4.300 3.243 2.378 3.548 . 0 0 "[ . 1 . 2]" 1
1234 1 54 VAL HB 1 81 LEU QD 5.200 . 5.700 4.789 4.093 5.503 . 0 0 "[ . 1 . 2]" 1
1235 1 54 VAL QG 1 55 ASP HA 4.500 . 5.000 3.504 3.323 3.773 . 0 0 "[ . 1 . 2]" 1
1236 1 54 VAL QG 1 57 VAL QG 3.800 . 4.300 3.475 2.612 4.006 . 0 0 "[ . 1 . 2]" 1
1237 1 54 VAL QG 1 58 MET H 4.500 . 5.000 3.850 3.420 4.253 . 0 0 "[ . 1 . 2]" 1
1238 1 54 VAL QG 1 58 MET HG2 3.800 . 4.300 2.721 2.273 3.188 . 0 0 "[ . 1 . 2]" 1
1239 1 54 VAL QG 1 58 MET HG3 4.500 . 5.000 2.704 2.189 3.619 . 0 0 "[ . 1 . 2]" 1
1240 1 54 VAL QG 1 58 MET ME 3.800 . 4.300 2.610 2.116 3.038 . 0 0 "[ . 1 . 2]" 1
1241 1 54 VAL QG 1 81 LEU H 5.200 . 5.700 4.964 4.299 5.578 . 0 0 "[ . 1 . 2]" 1
1242 1 54 VAL QG 1 81 LEU HA 3.800 . 4.300 3.088 2.518 3.622 . 0 0 "[ . 1 . 2]" 1
1243 1 54 VAL QG 1 81 LEU QD 2.800 . 3.300 2.445 1.904 3.141 . 0 0 "[ . 1 . 2]" 1
1244 1 54 VAL QG 1 84 ALA H 4.500 . 5.000 4.667 4.315 5.012 0.012 6 0 "[ . 1 . 2]" 1
1245 1 54 VAL QG 1 84 ALA HA 4.500 . 5.000 4.707 4.200 4.995 . 0 0 "[ . 1 . 2]" 1
1246 1 54 VAL QG 1 84 ALA MB 3.800 . 4.300 2.415 2.029 2.652 . 0 0 "[ . 1 . 2]" 1
1247 1 55 ASP H 1 56 LYS QB 4.500 . 5.000 4.509 4.165 4.793 . 0 0 "[ . 1 . 2]" 1
1248 1 55 ASP HA 1 58 MET QB 4.500 . 5.000 2.376 2.265 3.600 . 0 0 "[ . 1 . 2]" 1
1249 1 55 ASP HB3 1 56 LYS QB 4.500 . 5.000 4.382 4.043 4.873 . 0 0 "[ . 1 . 2]" 1
1250 1 56 LYS H 1 56 LYS QB 2.800 . 3.300 2.305 2.243 2.454 . 0 0 "[ . 1 . 2]" 1
1251 1 56 LYS H 1 56 LYS QG 3.800 . 4.300 3.121 2.080 3.954 . 0 0 "[ . 1 . 2]" 1
1252 1 56 LYS H 1 56 LYS QD 4.500 . 5.000 4.034 3.402 4.432 . 0 0 "[ . 1 . 2]" 1
1253 1 56 LYS H 1 57 VAL QG 4.500 . 5.000 4.043 3.401 4.265 . 0 0 "[ . 1 . 2]" 1
1254 1 56 LYS HA 1 59 LYS QE 4.500 . 5.000 3.013 2.297 3.831 . 0 0 "[ . 1 . 2]" 1
1255 1 56 LYS QB 1 57 VAL QG 4.500 . 5.000 3.191 2.726 4.144 . 0 0 "[ . 1 . 2]" 1
1256 1 56 LYS QG 1 57 VAL QG 4.500 . 5.000 3.316 2.075 4.704 . 0 0 "[ . 1 . 2]" 1
1257 1 56 LYS QD 1 57 VAL H 4.500 . 5.000 4.581 3.992 4.870 . 0 0 "[ . 1 . 2]" 1
1258 1 56 LYS QD 1 57 VAL QG 4.500 . 5.000 3.940 3.525 4.502 . 0 0 "[ . 1 . 2]" 1
1259 1 57 VAL H 1 57 VAL QG 2.800 . 3.300 2.221 1.743 2.416 0.057 5 0 "[ . 1 . 2]" 1
1260 1 57 VAL HA 1 77 LEU QD 4.500 . 5.000 4.327 3.909 4.708 . 0 0 "[ . 1 . 2]" 1
1261 1 57 VAL HB 1 77 LEU QD 4.500 . 5.000 4.255 2.423 4.732 . 0 0 "[ . 1 . 2]" 1
1262 1 57 VAL HB 1 81 LEU QD 3.800 . 4.300 3.233 2.721 3.880 . 0 0 "[ . 1 . 2]" 1
1263 1 57 VAL QG 1 58 MET H 3.800 . 4.300 3.017 2.046 3.331 . 0 0 "[ . 1 . 2]" 1
1264 1 57 VAL QG 1 58 MET HA 3.800 . 4.300 3.359 3.098 3.630 . 0 0 "[ . 1 . 2]" 1
1265 1 57 VAL QG 1 58 MET QB 4.500 . 5.000 4.282 3.410 4.599 . 0 0 "[ . 1 . 2]" 1
1266 1 57 VAL QG 1 58 MET HG2 4.500 . 5.000 3.406 2.212 3.900 . 0 0 "[ . 1 . 2]" 1
1267 1 57 VAL QG 1 58 MET ME 3.800 . 4.300 3.043 2.566 3.767 . 0 0 "[ . 1 . 2]" 1
1268 1 57 VAL QG 1 59 LYS H 4.500 . 5.000 4.589 4.110 4.849 . 0 0 "[ . 1 . 2]" 1
1269 1 57 VAL QG 1 60 GLU H 4.500 . 5.000 4.251 4.104 4.566 . 0 0 "[ . 1 . 2]" 1
1270 1 57 VAL QG 1 61 LEU HG 4.500 . 5.000 3.530 3.069 4.786 . 0 0 "[ . 1 . 2]" 1
1271 1 57 VAL QG 1 61 LEU QD 3.800 . 4.300 2.962 2.291 4.021 . 0 0 "[ . 1 . 2]" 1
1272 1 57 VAL QG 1 77 LEU HB2 4.500 . 5.000 4.589 4.309 5.030 0.030 7 0 "[ . 1 . 2]" 1
1273 1 57 VAL QG 1 77 LEU HB3 4.500 . 5.000 3.237 2.898 3.760 . 0 0 "[ . 1 . 2]" 1
1274 1 57 VAL QG 1 77 LEU HG 4.500 . 5.000 4.646 4.402 5.003 0.003 5 0 "[ . 1 . 2]" 1
1275 1 57 VAL QG 1 77 LEU QD 2.800 . 3.300 2.278 2.048 2.611 . 0 0 "[ . 1 . 2]" 1
1276 1 57 VAL QG 1 80 ALA MB 3.800 . 4.300 2.789 2.304 3.195 . 0 0 "[ . 1 . 2]" 1
1277 1 57 VAL QG 1 81 LEU H 4.500 . 5.000 4.425 4.006 4.727 . 0 0 "[ . 1 . 2]" 1
1278 1 57 VAL QG 1 81 LEU HG 4.500 . 5.000 4.011 3.443 4.384 . 0 0 "[ . 1 . 2]" 1
1279 1 57 VAL QG 1 81 LEU QD 2.800 . 3.300 2.291 1.932 2.842 . 0 0 "[ . 1 . 2]" 1
1280 1 58 MET H 1 61 LEU QD 4.500 . 5.000 4.871 4.442 5.015 0.015 4 0 "[ . 1 . 2]" 1
1281 1 58 MET H 1 81 LEU QD 4.500 . 5.000 4.869 4.467 5.015 0.015 17 0 "[ . 1 . 2]" 1
1282 1 58 MET HA 1 61 LEU QD 3.800 . 4.300 3.052 2.467 3.312 . 0 0 "[ . 1 . 2]" 1
1283 1 58 MET QB 1 59 LYS H 3.800 . 4.300 2.501 2.355 2.877 . 0 0 "[ . 1 . 2]" 1
1284 1 58 MET HG2 1 81 LEU QD 4.500 . 5.000 4.096 3.814 4.370 . 0 0 "[ . 1 . 2]" 1
1285 1 59 LYS H 1 59 LYS QE 4.500 . 5.000 4.420 3.995 4.764 . 0 0 "[ . 1 . 2]" 1
1286 1 59 LYS HA 1 59 LYS QE 5.200 . 5.700 5.000 4.527 5.473 . 0 0 "[ . 1 . 2]" 1
1287 1 59 LYS HA 1 62 ASP QB 3.800 . 4.300 2.415 2.227 2.745 . 0 0 "[ . 1 . 2]" 1
1288 1 59 LYS HB2 1 59 LYS QE 4.500 . 5.000 3.910 3.215 4.049 . 0 0 "[ . 1 . 2]" 1
1289 1 59 LYS HB2 1 62 ASP QB 4.500 . 5.000 3.738 3.428 4.958 . 0 0 "[ . 1 . 2]" 1
1290 1 59 LYS HB3 1 62 ASP QB 4.500 . 5.000 4.474 4.259 5.015 0.015 2 0 "[ . 1 . 2]" 1
1291 1 59 LYS QE 1 60 GLU HB2 4.500 . 5.000 2.845 2.270 4.573 . 0 0 "[ . 1 . 2]" 1
1292 1 59 LYS QE 1 60 GLU QG 5.200 . 5.700 3.799 3.215 5.646 . 0 0 "[ . 1 . 2]" 1
1293 1 60 GLU H 1 62 ASP QB 5.200 . 5.700 4.678 4.475 4.816 . 0 0 "[ . 1 . 2]" 1
1294 1 60 GLU QG 1 61 LEU H 4.500 . 5.000 3.653 3.503 3.975 . 0 0 "[ . 1 . 2]" 1
1295 1 61 LEU H 1 61 LEU QD 3.800 . 4.300 2.810 2.496 2.978 . 0 0 "[ . 1 . 2]" 1
1296 1 61 LEU H 1 62 ASP QB 4.500 . 5.000 4.259 4.182 4.424 . 0 0 "[ . 1 . 2]" 1
1297 1 61 LEU HA 1 61 LEU QD 3.800 . 4.300 2.121 2.059 2.224 . 0 0 "[ . 1 . 2]" 1
1298 1 61 LEU QD 1 62 ASP H 4.500 . 5.000 4.061 3.952 4.122 . 0 0 "[ . 1 . 2]" 1
1299 1 61 LEU QD 1 69 VAL QG 3.800 . 4.300 3.385 3.107 3.770 . 0 0 "[ . 1 . 2]" 1
1300 1 61 LEU QD 1 77 LEU QD 3.800 . 4.300 2.792 2.121 3.194 . 0 0 "[ . 1 . 2]" 1
1301 1 62 ASP H 1 62 ASP QB 2.800 . 3.300 2.220 2.176 2.247 . 0 0 "[ . 1 . 2]" 1
1302 1 62 ASP QB 1 63 GLU H 3.800 . 4.300 2.562 2.376 2.675 . 0 0 "[ . 1 . 2]" 1
1303 1 62 ASP QB 1 63 GLU QG 4.500 . 5.000 3.296 2.882 4.376 . 0 0 "[ . 1 . 2]" 1
1304 1 63 GLU H 1 63 GLU QG 3.800 . 4.300 2.243 1.867 3.453 . 0 0 "[ . 1 . 2]" 1
1305 1 63 GLU HB2 1 64 ASN QD 4.500 . 5.000 4.041 2.631 4.986 . 0 0 "[ . 1 . 2]" 1
1306 1 63 GLU HB3 1 64 ASN QD 4.500 . 5.000 3.850 2.205 4.888 . 0 0 "[ . 1 . 2]" 1
1307 1 63 GLU QG 1 64 ASN H 4.500 . 5.000 3.946 3.708 4.107 . 0 0 "[ . 1 . 2]" 1
1308 1 65 GLY QA 1 67 GLY H 4.500 . 5.000 3.666 3.375 3.973 . 0 0 "[ . 1 . 2]" 1
1309 1 66 ASP H 1 66 ASP QB 2.800 . 3.300 2.435 2.235 2.739 . 0 0 "[ . 1 . 2]" 1
1310 1 66 ASP H 1 67 GLY QA 4.500 . 5.000 4.308 3.619 4.593 . 0 0 "[ . 1 . 2]" 1
1311 1 66 ASP QB 1 67 GLY H 3.800 . 4.300 3.221 2.688 3.937 . 0 0 "[ . 1 . 2]" 1
1312 1 68 GLU H 1 68 GLU QG 3.800 . 4.300 2.383 2.112 3.443 . 0 0 "[ . 1 . 2]" 1
1313 1 68 GLU QB 1 69 VAL H 3.800 . 4.300 2.374 1.946 3.012 . 0 0 "[ . 1 . 2]" 1
1314 1 68 GLU QG 1 69 VAL H 3.800 . 4.300 3.697 2.987 4.085 . 0 0 "[ . 1 . 2]" 1
1315 1 69 VAL QG 1 77 LEU QD 4.500 . 5.000 3.121 2.925 3.536 . 0 0 "[ . 1 . 2]" 1
1316 1 69 VAL QG 1 74 TYR QB 4.500 . 5.000 3.790 3.315 4.128 . 0 0 "[ . 1 . 2]" 1
1317 1 70 ASP QB 1 71 PHE H 3.800 . 4.300 2.305 1.977 3.029 . 0 0 "[ . 1 . 2]" 1
1318 1 70 ASP QB 1 72 GLN H 3.800 . 4.300 2.993 2.807 3.309 . 0 0 "[ . 1 . 2]" 1
1319 1 71 PHE HD1 1 75 VAL QG 4.500 . 5.000 4.176 3.809 4.907 . 0 0 "[ . 1 . 2]" 1
1320 1 71 PHE HE1 1 75 VAL QG 4.500 . 5.000 3.590 3.193 4.320 . 0 0 "[ . 1 . 2]" 1
1321 1 71 PHE HZ 1 75 VAL QG 4.500 . 5.000 2.940 2.735 3.234 . 0 0 "[ . 1 . 2]" 1
1322 1 71 PHE HE2 1 75 VAL QG 4.500 . 5.000 2.953 2.497 3.383 . 0 0 "[ . 1 . 2]" 1
1323 1 71 PHE HD2 1 75 VAL QG 4.500 . 5.000 3.793 3.468 4.139 . 0 0 "[ . 1 . 2]" 1
1324 1 72 GLN HA 1 75 VAL QG 3.800 . 4.300 2.928 2.738 3.181 . 0 0 "[ . 1 . 2]" 1
1325 1 72 GLN HB2 1 72 GLN QE 3.800 . 4.300 2.409 1.861 3.957 . 0 0 "[ . 1 . 2]" 1
1326 1 72 GLN HB2 1 76 VAL QG 4.500 . 5.000 3.704 3.358 5.012 0.012 9 0 "[ . 1 . 2]" 1
1327 1 72 GLN HG3 1 76 VAL QG 4.500 . 5.000 4.349 3.732 5.038 0.038 16 0 "[ . 1 . 2]" 1
1328 1 73 GLU H 1 76 VAL QG 4.500 . 5.000 4.106 3.531 4.876 . 0 0 "[ . 1 . 2]" 1
1329 1 73 GLU HA 1 76 VAL QG 3.800 . 4.300 2.354 2.237 2.665 . 0 0 "[ . 1 . 2]" 1
1330 1 73 GLU HG2 1 76 VAL QG 4.500 . 5.000 3.889 3.535 4.170 . 0 0 "[ . 1 . 2]" 1
1331 1 74 TYR H 1 75 VAL QG 4.500 . 5.000 4.108 3.953 4.314 . 0 0 "[ . 1 . 2]" 1
1332 1 74 TYR HA 1 77 LEU QD 4.500 . 5.000 2.758 2.324 3.172 . 0 0 "[ . 1 . 2]" 1
1333 1 74 TYR HA 1 78 VAL QG 5.200 . 5.700 3.781 3.660 3.898 . 0 0 "[ . 1 . 2]" 1
1334 1 74 TYR QB 1 75 VAL H 3.800 . 4.300 2.916 2.676 3.039 . 0 0 "[ . 1 . 2]" 1
1335 1 74 TYR QB 1 75 VAL QG 4.500 . 5.000 3.409 3.179 3.576 . 0 0 "[ . 1 . 2]" 1
1336 1 74 TYR QD 1 78 VAL QG 4.500 . 5.000 3.180 3.016 3.344 . 0 0 "[ . 1 . 2]" 1
1337 1 74 TYR QE 1 75 VAL QG 3.800 . 4.300 3.550 3.021 3.861 . 0 0 "[ . 1 . 2]" 1
1338 1 74 TYR QD 1 75 VAL QG 3.800 . 4.300 2.532 2.251 2.799 . 0 0 "[ . 1 . 2]" 1
1339 1 75 VAL H 1 75 VAL QG 2.800 . 3.300 2.449 2.381 2.492 . 0 0 "[ . 1 . 2]" 1
1340 1 75 VAL H 1 76 VAL QG 4.500 . 5.000 3.708 3.546 4.175 . 0 0 "[ . 1 . 2]" 1
1341 1 75 VAL H 1 78 VAL QG 4.500 . 5.000 3.885 3.855 3.948 . 0 0 "[ . 1 . 2]" 1
1342 1 75 VAL HA 1 76 VAL QG 5.200 . 5.700 4.701 4.608 4.952 . 0 0 "[ . 1 . 2]" 1
1343 1 75 VAL HA 1 78 VAL QG 3.800 . 4.300 2.003 1.997 2.022 . 0 0 "[ . 1 . 2]" 1
1344 1 75 VAL HB 1 76 VAL QG 4.500 . 5.000 3.489 3.254 4.606 . 0 0 "[ . 1 . 2]" 1
1345 1 75 VAL QG 1 76 VAL H 3.800 . 4.300 3.356 3.341 3.369 . 0 0 "[ . 1 . 2]" 1
1346 1 75 VAL QG 1 76 VAL HA 4.500 . 5.000 3.430 3.407 3.448 . 0 0 "[ . 1 . 2]" 1
1347 1 75 VAL QG 1 76 VAL HB 5.200 . 5.700 4.942 4.187 5.038 . 0 0 "[ . 1 . 2]" 1
1348 1 75 VAL QG 1 76 VAL QG 3.800 . 4.300 3.281 3.186 3.950 . 0 0 "[ . 1 . 2]" 1
1349 1 75 VAL QG 1 78 VAL QG 3.800 . 4.300 2.649 2.609 2.675 . 0 0 "[ . 1 . 2]" 1
1350 1 76 VAL H 1 76 VAL QG 2.800 . 3.300 2.228 2.049 2.477 . 0 0 "[ . 1 . 2]" 1
1351 1 76 VAL HB 1 77 LEU QD 4.500 . 5.000 3.421 2.760 4.802 . 0 0 "[ . 1 . 2]" 1
1352 1 76 VAL QG 1 77 LEU H 3.800 . 4.300 3.119 2.081 3.287 . 0 0 "[ . 1 . 2]" 1
1353 1 76 VAL QG 1 77 LEU HA 3.800 . 4.300 3.450 3.049 3.650 . 0 0 "[ . 1 . 2]" 1
1354 1 76 VAL QG 1 77 LEU HG 4.500 . 5.000 3.684 2.217 3.912 . 0 0 "[ . 1 . 2]" 1
1355 1 76 VAL QG 1 77 LEU QD 4.500 . 5.000 3.060 2.368 3.553 . 0 0 "[ . 1 . 2]" 1
1356 1 76 VAL QG 1 79 ALA MB 4.500 . 5.000 3.447 3.343 3.593 . 0 0 "[ . 1 . 2]" 1
1357 1 76 VAL QG 1 80 ALA H 4.500 . 5.000 4.163 3.862 4.355 . 0 0 "[ . 1 . 2]" 1
1358 1 76 VAL QG 1 80 ALA MB 3.800 . 4.300 3.568 3.222 3.799 . 0 0 "[ . 1 . 2]" 1
1359 1 77 LEU H 1 77 LEU QD 3.800 . 4.300 2.837 2.406 3.100 . 0 0 "[ . 1 . 2]" 1
1360 1 77 LEU H 1 78 VAL QG 4.500 . 5.000 3.403 3.197 3.502 . 0 0 "[ . 1 . 2]" 1
1361 1 77 LEU HA 1 77 LEU QD 3.800 . 4.300 2.098 2.030 2.218 . 0 0 "[ . 1 . 2]" 1
1362 1 77 LEU HA 1 81 LEU QD 5.200 . 5.700 3.502 3.282 4.323 . 0 0 "[ . 1 . 2]" 1
1363 1 77 LEU HB2 1 78 VAL QG 4.500 . 5.000 3.050 2.940 3.140 . 0 0 "[ . 1 . 2]" 1
1364 1 77 LEU HB3 1 78 VAL QG 5.200 . 5.700 4.050 3.936 4.149 . 0 0 "[ . 1 . 2]" 1
1365 1 77 LEU HG 1 81 LEU QD 5.200 . 5.700 5.312 5.040 5.713 0.013 12 0 "[ . 1 . 2]" 1
1366 1 77 LEU QD 1 78 VAL H 4.500 . 5.000 3.838 3.709 3.923 . 0 0 "[ . 1 . 2]" 1
1367 1 77 LEU QD 1 80 ALA MB 3.800 . 4.300 3.316 3.128 3.530 . 0 0 "[ . 1 . 2]" 1
1368 1 77 LEU QD 1 81 LEU QD 4.500 . 5.000 3.432 3.137 3.832 . 0 0 "[ . 1 . 2]" 1
1369 1 78 VAL H 1 78 VAL QG 2.800 . 3.300 1.780 1.756 1.805 0.044 9 0 "[ . 1 . 2]" 1
1370 1 78 VAL HA 1 78 VAL QG 2.800 . 3.300 2.242 2.164 2.319 . 0 0 "[ . 1 . 2]" 1
1371 1 78 VAL HA 1 81 LEU QD 4.500 . 5.000 3.227 2.601 3.780 . 0 0 "[ . 1 . 2]" 1
1372 1 78 VAL QG 1 79 ALA H 3.800 . 4.300 2.069 1.900 2.308 . 0 0 "[ . 1 . 2]" 1
1373 1 78 VAL QG 1 79 ALA HA 4.500 . 5.000 3.356 3.231 3.483 . 0 0 "[ . 1 . 2]" 1
1374 1 78 VAL QG 1 79 ALA MB 4.500 . 5.000 2.847 2.757 2.971 . 0 0 "[ . 1 . 2]" 1
1375 1 79 ALA HA 1 83 VAL QG 4.500 . 5.000 3.963 3.483 4.251 . 0 0 "[ . 1 . 2]" 1
1376 1 80 ALA H 1 83 VAL QG 4.500 . 5.000 4.640 4.471 4.728 . 0 0 "[ . 1 . 2]" 1
1377 1 80 ALA HA 1 83 VAL QG 3.800 . 4.300 3.190 2.898 3.461 . 0 0 "[ . 1 . 2]" 1
1378 1 80 ALA MB 1 81 LEU QD 3.800 . 4.300 2.223 2.047 2.882 . 0 0 "[ . 1 . 2]" 1
1379 1 80 ALA MB 1 83 VAL QG 4.500 . 5.000 4.265 4.084 4.458 . 0 0 "[ . 1 . 2]" 1
1380 1 81 LEU H 1 81 LEU QD 3.800 . 4.300 1.916 1.790 2.848 0.010 18 0 "[ . 1 . 2]" 1
1381 1 81 LEU H 1 83 VAL QG 4.500 . 5.000 4.996 4.945 5.015 0.015 20 0 "[ . 1 . 2]" 1
1382 1 81 LEU HA 1 81 LEU QD 3.800 . 4.300 2.402 1.945 2.606 . 0 0 "[ . 1 . 2]" 1
1383 1 81 LEU QD 1 82 THR H 4.500 . 5.000 3.728 3.649 4.063 . 0 0 "[ . 1 . 2]" 1
1384 1 81 LEU QD 1 84 ALA MB 4.500 . 5.000 3.816 2.985 4.155 . 0 0 "[ . 1 . 2]" 1
1385 1 82 THR H 1 83 VAL QG 4.500 . 5.000 4.112 4.041 4.195 . 0 0 "[ . 1 . 2]" 1
1386 1 82 THR MG 1 83 VAL QG 4.500 . 5.000 3.458 3.166 3.561 . 0 0 "[ . 1 . 2]" 1
1387 1 83 VAL H 1 83 VAL QG 2.800 . 3.300 2.097 1.971 2.243 . 0 0 "[ . 1 . 2]" 1
1388 1 83 VAL QG 1 84 ALA H 3.800 . 4.300 3.192 3.072 3.283 . 0 0 "[ . 1 . 2]" 1
1389 1 83 VAL QG 1 84 ALA HA 4.500 . 5.000 3.438 3.285 3.584 . 0 0 "[ . 1 . 2]" 1
1390 1 83 VAL QG 1 84 ALA MB 4.500 . 5.000 3.911 3.687 4.074 . 0 0 "[ . 1 . 2]" 1
1391 1 83 VAL QG 1 85 CYS H 4.500 . 5.000 4.551 4.352 4.674 . 0 0 "[ . 1 . 2]" 1
1392 1 83 VAL QG 1 89 PHE HB2 4.500 . 5.000 2.806 2.193 3.644 . 0 0 "[ . 1 . 2]" 1
1393 1 83 VAL QG 1 89 PHE HB3 4.500 . 5.000 3.466 3.002 4.332 . 0 0 "[ . 1 . 2]" 1
1394 1 83 VAL QG 1 89 PHE HE2 4.500 . 5.000 3.852 3.247 4.356 . 0 0 "[ . 1 . 2]" 1
1395 1 83 VAL QG 1 89 PHE HD2 3.800 . 4.300 2.920 2.456 3.433 . 0 0 "[ . 1 . 2]" 1
1396 1 83 VAL QG 1 90 TRP HE1 3.800 . 4.300 2.382 1.871 2.943 . 0 0 "[ . 1 . 2]" 1
1397 1 83 VAL QG 1 90 TRP HZ2 4.500 . 5.000 3.364 2.621 3.967 . 0 0 "[ . 1 . 2]" 1
1398 1 85 CYS QB 1 86 ASN H 4.500 . 5.000 2.554 2.165 2.858 . 0 0 "[ . 1 . 2]" 1
1399 1 87 ASN QB 1 88 PHE H 4.500 . 5.000 3.559 1.913 4.054 . 0 0 "[ . 1 . 2]" 1
1400 1 90 TRP H 1 91 GLU QG 4.500 . 5.000 4.362 3.374 5.014 0.014 10 0 "[ . 1 . 2]" 1
1401 1 91 GLU H 1 91 GLU QG 3.800 . 4.300 2.599 2.009 3.137 . 0 0 "[ . 1 . 2]" 1
1402 1 91 GLU QB 1 93 SER H 4.500 . 5.000 3.050 2.240 4.134 . 0 0 "[ . 1 . 2]" 1
1403 1 91 GLU QB 1 93 SER QB 4.500 . 5.000 4.055 2.748 4.974 . 0 0 "[ . 1 . 2]" 1
1404 1 27 LYS H 1 27 LYS HG3 4.500 . 5.000 3.095 2.030 4.715 . 0 0 "[ . 1 . 2]" 1
1405 1 33 LEU HB3 1 34 LYS H 4.500 . 5.000 2.589 2.085 2.831 . 0 0 "[ . 1 . 2]" 1
1406 1 33 LEU HB3 1 61 LEU MD1 5.200 . 5.700 2.856 2.350 3.576 . 0 0 "[ . 1 . 2]" 1
1407 1 33 LEU HB3 1 61 LEU MD2 5.200 . 5.700 3.274 2.643 3.671 . 0 0 "[ . 1 . 2]" 1
1408 1 29 SER H 1 32 GLN HG3 3.800 . 4.300 4.151 3.459 4.312 0.012 15 0 "[ . 1 . 2]" 1
1409 1 32 GLN H 1 32 GLN HG2 3.800 . 4.300 2.966 2.042 3.481 . 0 0 "[ . 1 . 2]" 1
1410 1 32 GLN HG2 1 33 LEU H 4.500 . 5.000 4.725 4.158 5.022 0.022 13 0 "[ . 1 . 2]" 1
1411 1 64 ASN HB2 1 64 ASN HD22 3.800 . 4.300 3.875 3.509 4.121 . 0 0 "[ . 1 . 2]" 1
1412 1 64 ASN HB2 1 65 GLY H 4.500 . 5.000 3.682 1.865 4.510 . 0 0 "[ . 1 . 2]" 1
1413 1 64 ASN HB3 1 67 GLY H 4.500 . 5.000 3.186 2.567 3.730 . 0 0 "[ . 1 . 2]" 1
1414 1 63 GLU HB2 1 64 ASN HB2 4.500 . 5.000 4.290 4.030 4.700 . 0 0 "[ . 1 . 2]" 1
1415 1 63 GLU HB3 1 64 ASN HB2 5.200 . 5.700 5.028 4.470 5.661 . 0 0 "[ . 1 . 2]" 1
1416 1 24 ASP QB 1 27 LYS HG3 4.500 . 5.000 3.745 2.797 5.011 0.011 13 0 "[ . 1 . 2]" 1
1417 1 27 LYS QB 1 28 LEU H 3.800 . 4.300 2.316 1.802 3.684 . 0 0 "[ . 1 . 2]" 1
1418 1 27 LYS QB 1 68 GLU QB 4.500 . 5.000 3.182 2.473 4.492 . 0 0 "[ . 1 . 2]" 1
1419 1 27 LYS HG2 1 68 GLU QB 4.500 . 5.000 4.198 2.721 5.005 0.005 8 0 "[ . 1 . 2]" 1
1420 1 28 LEU QD 1 32 GLN HG2 4.500 . 5.000 4.425 3.820 4.859 . 0 0 "[ . 1 . 2]" 1
1421 1 28 LEU QD 1 32 GLN HG3 4.500 . 5.000 3.960 3.561 4.302 . 0 0 "[ . 1 . 2]" 1
1422 1 28 LEU QD 1 33 LEU QB 4.500 . 5.000 2.568 2.254 3.473 . 0 0 "[ . 1 . 2]" 1
1423 1 29 SER H 1 33 LEU QB 5.200 . 5.700 5.081 3.934 5.517 . 0 0 "[ . 1 . 2]" 1
1424 1 33 LEU QB 1 34 LYS H 3.800 . 4.300 2.547 2.066 2.771 . 0 0 "[ . 1 . 2]" 1
1425 1 33 LEU QB 1 61 LEU QD 4.500 . 5.000 2.594 2.287 2.832 . 0 0 "[ . 1 . 2]" 1
1426 1 33 LEU HB2 1 61 LEU MD1 5.200 . 5.700 4.338 3.801 5.013 . 0 0 "[ . 1 . 2]" 1
1427 1 33 LEU HB2 1 61 LEU MD2 5.200 . 5.700 4.404 3.863 4.784 . 0 0 "[ . 1 . 2]" 1
1428 1 33 LEU QB 1 69 VAL QG 3.800 . 4.300 2.792 2.552 2.991 . 0 0 "[ . 1 . 2]" 1
1429 1 34 LYS H 1 61 LEU QB 4.500 . 5.000 3.895 3.536 4.110 . 0 0 "[ . 1 . 2]" 1
1430 1 34 LYS HB3 1 61 LEU QB 4.500 . 5.000 3.549 2.115 4.349 . 0 0 "[ . 1 . 2]" 1
1431 1 34 LYS HG3 1 38 GLN QE 4.500 . 5.000 2.857 2.144 3.547 . 0 0 "[ . 1 . 2]" 1
1432 1 34 LYS QE 1 38 GLN QE 4.500 . 5.000 3.118 2.047 4.383 . 0 0 "[ . 1 . 2]" 1
1433 1 35 GLU HA 1 38 GLN QE 4.500 . 5.000 3.127 1.836 4.646 . 0 0 "[ . 1 . 2]" 1
1434 1 38 GLN QE 1 45 LEU QD 5.200 . 5.700 4.209 3.047 4.935 . 0 0 "[ . 1 . 2]" 1
1435 1 38 GLN QE 1 58 MET ME 4.500 . 5.000 3.500 2.304 4.567 . 0 0 "[ . 1 . 2]" 1
1436 1 38 GLN QE 1 61 LEU QD 5.200 . 5.700 4.863 4.268 5.308 . 0 0 "[ . 1 . 2]" 1
1437 1 45 LEU HA 1 48 GLN QG 3.800 . 4.300 2.493 2.090 3.381 . 0 0 "[ . 1 . 2]" 1
1438 1 45 LEU QD 1 48 GLN QG 3.800 . 4.300 3.346 2.643 3.899 . 0 0 "[ . 1 . 2]" 1
1439 1 47 ALA H 1 48 GLN QG 3.800 . 4.300 3.095 2.441 3.535 . 0 0 "[ . 1 . 2]" 1
1440 1 48 GLN H 1 48 GLN QG 3.800 . 4.300 2.667 1.795 3.140 0.005 8 0 "[ . 1 . 2]" 1
1441 1 48 GLN HA 1 48 GLN QG 3.800 . 4.300 2.531 2.315 3.299 . 0 0 "[ . 1 . 2]" 1
1442 1 48 GLN QG 1 49 LYS H 4.500 . 5.000 4.187 3.880 4.500 . 0 0 "[ . 1 . 2]" 1
1443 1 48 GLN QG 1 54 VAL QG 3.800 . 4.300 3.401 2.823 4.014 . 0 0 "[ . 1 . 2]" 1
1444 1 58 MET HA 1 61 LEU QB 4.500 . 5.000 3.785 2.853 4.377 . 0 0 "[ . 1 . 2]" 1
1445 1 61 LEU QB 1 62 ASP H 3.800 . 4.300 2.762 2.658 2.894 . 0 0 "[ . 1 . 2]" 1
1446 1 27 LYS H 1 27 LYS HB3 3.800 . 4.300 3.407 2.443 3.997 . 0 0 "[ . 1 . 2]" 1
1447 1 27 LYS HB2 1 28 LEU H 3.800 . 4.300 2.586 1.809 4.129 . 0 0 "[ . 1 . 2]" 1
1448 1 29 SER H 1 33 LEU HB2 5.200 . 5.700 5.282 4.056 5.717 0.017 11 0 "[ . 1 . 2]" 1
1449 1 34 LYS H 1 61 LEU HB2 4.500 . 5.000 4.917 4.405 5.013 0.013 11 0 "[ . 1 . 2]" 1
1450 1 35 GLU HA 1 38 GLN HE21 4.500 . 5.000 3.276 1.851 5.018 0.018 2 0 "[ . 1 . 2]" 1
1451 1 34 LYS HG3 1 38 GLN HE21 4.500 . 5.000 3.057 2.160 4.103 . 0 0 "[ . 1 . 2]" 1
1452 1 38 GLN HE21 1 58 MET ME 4.500 . 5.000 3.700 2.339 4.936 . 0 0 "[ . 1 . 2]" 1
1453 1 48 GLN H 1 48 GLN HG3 3.800 . 4.300 2.875 2.279 3.258 . 0 0 "[ . 1 . 2]" 1
1454 1 48 GLN HG2 1 49 LYS H 4.500 . 5.000 4.557 4.086 5.003 0.003 8 0 "[ . 1 . 2]" 1
1455 1 61 LEU HB3 1 62 ASP H 4.500 . 5.000 3.953 3.889 4.072 . 0 0 "[ . 1 . 2]" 1
1456 1 61 LEU HB2 1 62 ASP H 3.800 . 4.300 2.820 2.706 2.961 . 0 0 "[ . 1 . 2]" 1
1457 1 58 MET HA 1 61 LEU HB2 4.500 . 5.000 3.868 2.894 4.531 . 0 0 "[ . 1 . 2]" 1
1458 1 34 LYS HB3 1 61 LEU HB3 4.500 . 5.000 3.931 2.288 4.784 . 0 0 "[ . 1 . 2]" 1
1459 1 24 ASP QB 1 27 LYS QG 4.500 . 5.000 3.346 2.565 4.774 . 0 0 "[ . 1 . 2]" 1
1460 1 27 LYS H 1 27 LYS QG 3.800 . 4.300 2.632 1.937 4.124 . 0 0 "[ . 1 . 2]" 1
1461 1 27 LYS HB2 1 68 GLU QB 4.500 . 5.000 3.489 2.503 4.982 . 0 0 "[ . 1 . 2]" 1
1462 1 27 LYS HB3 1 68 GLU QB 5.200 . 5.700 4.201 2.812 5.109 . 0 0 "[ . 1 . 2]" 1
1463 1 27 LYS QG 1 28 LEU H 4.500 . 5.000 3.358 2.190 4.269 . 0 0 "[ . 1 . 2]" 1
1464 1 27 LYS QG 1 68 GLU QB 4.500 . 5.000 3.526 2.375 4.690 . 0 0 "[ . 1 . 2]" 1
1465 1 28 LEU QD 1 32 GLN QG 4.500 . 5.000 3.690 3.340 4.029 . 0 0 "[ . 1 . 2]" 1
1466 1 28 LEU QD 1 33 LEU HB2 4.500 . 5.000 2.607 2.275 3.586 . 0 0 "[ . 1 . 2]" 1
1467 1 28 LEU QD 1 33 LEU HB3 4.500 . 5.000 3.920 3.629 4.643 . 0 0 "[ . 1 . 2]" 1
1468 1 29 SER H 1 32 GLN QG 3.800 . 4.300 3.970 3.295 4.182 . 0 0 "[ . 1 . 2]" 1
1469 1 32 GLN H 1 32 GLN QG 3.800 . 4.300 2.250 2.029 2.577 . 0 0 "[ . 1 . 2]" 1
1470 1 32 GLN HA 1 32 GLN QG 3.800 . 4.300 2.509 2.241 2.921 . 0 0 "[ . 1 . 2]" 1
1471 1 32 GLN QG 1 33 LEU H 4.500 . 5.000 4.086 3.968 4.239 . 0 0 "[ . 1 . 2]" 1
1472 1 34 LYS QE 1 38 GLN HE21 4.500 . 5.000 3.790 2.210 4.933 . 0 0 "[ . 1 . 2]" 1
1473 1 34 LYS QE 1 38 GLN HE22 4.500 . 5.000 3.386 2.151 5.018 0.018 3 0 "[ . 1 . 2]" 1
1474 1 38 GLN HE21 1 45 LEU QD 5.200 . 5.700 4.624 3.167 5.508 . 0 0 "[ . 1 . 2]" 1
1475 1 38 GLN HE21 1 61 LEU QD 5.200 . 5.700 5.163 4.534 5.676 . 0 0 "[ . 1 . 2]" 1
1476 1 45 LEU QD 1 48 GLN HG2 4.500 . 5.000 3.715 2.735 4.489 . 0 0 "[ . 1 . 2]" 1
1477 1 45 LEU QD 1 48 GLN HG3 4.500 . 5.000 3.937 3.330 4.889 . 0 0 "[ . 1 . 2]" 1
1478 1 48 GLN HG2 1 54 VAL QG 4.500 . 5.000 3.631 2.878 4.624 . 0 0 "[ . 1 . 2]" 1
1479 1 48 GLN HG3 1 54 VAL QG 4.500 . 5.000 4.231 4.032 4.581 . 0 0 "[ . 1 . 2]" 1
1480 1 63 GLU HB2 1 64 ASN QB 4.500 . 5.000 4.142 3.920 4.481 . 0 0 "[ . 1 . 2]" 1
1481 1 63 GLU HB3 1 64 ASN QB 5.200 . 5.700 4.730 4.264 5.255 . 0 0 "[ . 1 . 2]" 1
1482 1 64 ASN QB 1 65 GLY H 4.500 . 5.000 2.672 1.799 3.752 0.001 8 0 "[ . 1 . 2]" 1
1483 1 64 ASN QB 1 67 GLY H 4.500 . 5.000 3.120 2.524 3.666 . 0 0 "[ . 1 . 2]" 1
1484 2 4 LEU H 2 4 LEU HB3 3.800 . 4.300 2.795 2.552 3.024 . 0 0 "[ . 1 . 2]" 1
1485 2 4 LEU H 2 4 LEU HB2 3.800 . 4.300 2.324 2.165 2.521 . 0 0 "[ . 1 . 2]" 1
1486 2 3 GLU HB2 2 4 LEU H 3.800 . 4.300 2.872 2.738 3.083 . 0 0 "[ . 1 . 2]" 1
1487 2 4 LEU H 2 4 LEU HG 4.500 . 5.000 4.253 4.001 4.489 . 0 0 "[ . 1 . 2]" 1
1488 2 4 LEU H 2 4 LEU MD2 4.500 . 5.000 4.230 4.153 4.327 . 0 0 "[ . 1 . 2]" 1
1489 2 4 LEU H 2 4 LEU MD1 4.500 . 5.000 4.106 3.875 4.268 . 0 0 "[ . 1 . 2]" 1
1490 2 4 LEU HB3 2 5 GLU H 4.500 . 5.000 2.403 2.086 2.653 . 0 0 "[ . 1 . 2]" 1
1491 2 5 GLU H 2 5 GLU HB2 3.800 . 4.300 2.529 2.430 2.627 . 0 0 "[ . 1 . 2]" 1
1492 2 4 LEU HB2 2 5 GLU H 4.500 . 5.000 3.622 3.362 3.933 . 0 0 "[ . 1 . 2]" 1
1493 2 5 GLU H 2 5 GLU HG2 4.500 . 5.000 3.245 3.007 3.415 . 0 0 "[ . 1 . 2]" 1
1494 2 5 GLU H 2 5 GLU HG3 4.500 . 5.000 2.034 1.901 2.235 . 0 0 "[ . 1 . 2]" 1
1495 2 5 GLU H 2 5 GLU HB3 3.800 . 4.300 3.588 3.584 3.590 . 0 0 "[ . 1 . 2]" 1
1496 2 5 GLU HB2 2 6 THR H 4.500 . 5.000 2.671 2.574 2.757 . 0 0 "[ . 1 . 2]" 1
1497 2 6 THR H 2 6 THR HB 3.800 . 4.300 2.616 2.510 2.727 . 0 0 "[ . 1 . 2]" 1
1498 2 3 GLU HA 2 6 THR H 3.800 . 4.300 3.168 3.024 3.349 . 0 0 "[ . 1 . 2]" 1
1499 2 6 THR H 2 6 THR MG 4.500 . 5.000 3.742 3.722 3.750 . 0 0 "[ . 1 . 2]" 1
1500 2 6 THR H 2 7 ALA MB 4.500 . 5.000 4.286 4.162 4.467 . 0 0 "[ . 1 . 2]" 1
1501 2 5 GLU HB3 2 6 THR H 4.500 . 5.000 3.738 3.667 3.822 . 0 0 "[ . 1 . 2]" 1
1502 2 6 THR HB 2 7 ALA H 3.800 . 4.300 2.706 2.447 2.832 . 0 0 "[ . 1 . 2]" 1
1503 2 3 GLU HA 2 7 ALA H 4.500 . 5.000 4.368 4.021 4.636 . 0 0 "[ . 1 . 2]" 1
1504 2 4 LEU HA 2 7 ALA H 3.800 . 4.300 3.474 3.306 3.697 . 0 0 "[ . 1 . 2]" 1
1505 2 6 THR MG 2 7 ALA H 3.800 . 4.300 3.694 3.558 3.805 . 0 0 "[ . 1 . 2]" 1
1506 2 7 ALA H 2 7 ALA MB 2.800 . 3.300 2.184 2.140 2.234 . 0 0 "[ . 1 . 2]" 1
1507 2 3 GLU HB3 2 7 ALA H 5.200 . 5.700 4.628 4.343 5.067 . 0 0 "[ . 1 . 2]" 1
1508 2 5 GLU HA 2 8 MET H 4.500 . 5.000 3.531 3.227 3.732 . 0 0 "[ . 1 . 2]" 1
1509 2 8 MET H 2 8 MET HG3 3.800 . 4.300 3.340 2.348 3.572 . 0 0 "[ . 1 . 2]" 1
1510 2 8 MET H 2 8 MET HG2 3.800 . 4.300 2.203 1.810 2.720 . 0 0 "[ . 1 . 2]" 1
1511 2 8 MET H 2 8 MET HB2 3.800 . 4.300 2.536 2.262 2.734 . 0 0 "[ . 1 . 2]" 1
1512 2 8 MET H 2 8 MET HB3 3.800 . 4.300 3.571 3.539 3.593 . 0 0 "[ . 1 . 2]" 1
1513 2 7 ALA MB 2 8 MET H 3.800 . 4.300 2.410 2.221 2.556 . 0 0 "[ . 1 . 2]" 1
1514 2 8 MET H 2 8 MET ME 4.500 . 5.000 4.137 4.038 4.333 . 0 0 "[ . 1 . 2]" 1
1515 2 8 MET HB3 2 9 GLU H 4.500 . 5.000 3.718 3.312 3.948 . 0 0 "[ . 1 . 2]" 1
1516 2 5 GLU HA 2 9 GLU H 4.500 . 5.000 4.510 4.159 4.864 . 0 0 "[ . 1 . 2]" 1
1517 2 6 THR HA 2 9 GLU H 3.800 . 4.300 3.526 3.376 3.671 . 0 0 "[ . 1 . 2]" 1
1518 2 88 PHE H 2 88 PHE HB3 3.800 . 4.300 3.279 2.487 3.956 . 0 0 "[ . 1 . 2]" 1
1519 2 87 ASN HB2 2 88 PHE H 5.200 . 5.700 4.083 3.240 4.632 . 0 0 "[ . 1 . 2]" 1
1520 2 87 ASN HB3 2 88 PHE H 5.200 . 5.700 4.068 1.926 4.536 . 0 0 "[ . 1 . 2]" 1
1521 2 88 PHE H 2 88 PHE HB2 3.800 . 4.300 2.611 2.287 3.349 . 0 0 "[ . 1 . 2]" 1
1522 2 9 GLU H 2 9 GLU HG3 3.800 . 4.300 2.700 2.043 3.648 . 0 0 "[ . 1 . 2]" 1
1523 2 9 GLU H 2 9 GLU HB2 3.800 . 4.300 2.426 2.370 2.521 . 0 0 "[ . 1 . 2]" 1
1524 2 9 GLU H 2 9 GLU HB3 3.800 . 4.300 3.583 3.573 3.590 . 0 0 "[ . 1 . 2]" 1
1525 2 9 GLU H 2 9 GLU HG2 3.800 . 4.300 3.023 2.159 3.603 . 0 0 "[ . 1 . 2]" 1
1526 2 7 ALA MB 2 9 GLU H 4.500 . 5.000 4.406 4.304 4.547 . 0 0 "[ . 1 . 2]" 1
1527 2 10 THR H 2 10 THR HB 3.800 . 4.300 2.500 2.388 2.584 . 0 0 "[ . 1 . 2]" 1
1528 2 7 ALA HA 2 10 THR H 3.800 . 4.300 3.450 3.235 3.644 . 0 0 "[ . 1 . 2]" 1
1529 2 10 THR H 2 11 LEU HG 5.200 . 5.700 4.695 4.562 4.861 . 0 0 "[ . 1 . 2]" 1
1530 2 10 THR H 2 12 ILE HG13 5.200 . 5.700 5.434 5.147 5.704 0.004 4 0 "[ . 1 . 2]" 1
1531 2 9 GLU HB2 2 10 THR H 3.800 . 4.300 2.791 2.680 2.923 . 0 0 "[ . 1 . 2]" 1
1532 2 9 GLU HB3 2 10 THR H 4.500 . 5.000 3.723 3.613 3.827 . 0 0 "[ . 1 . 2]" 1
1533 2 10 THR H 2 10 THR MG 3.800 . 4.300 3.746 3.734 3.759 . 0 0 "[ . 1 . 2]" 1
1534 2 6 THR MG 2 10 THR H 4.500 . 5.000 4.395 4.048 4.766 . 0 0 "[ . 1 . 2]" 1
1535 2 11 LEU H 2 12 ILE HB 5.200 . 5.700 4.892 4.678 4.983 . 0 0 "[ . 1 . 2]" 1
1536 2 10 THR HB 2 11 LEU H 3.800 . 4.300 2.513 2.414 2.620 . 0 0 "[ . 1 . 2]" 1
1537 2 11 LEU H 2 11 LEU HB2 3.800 . 4.300 2.368 2.286 2.425 . 0 0 "[ . 1 . 2]" 1
1538 2 11 LEU H 2 11 LEU HG 4.500 . 5.000 2.417 2.279 2.673 . 0 0 "[ . 1 . 2]" 1
1539 2 11 LEU H 2 11 LEU QD . . 4.300 3.000 2.953 3.092 . 0 0 "[ . 1 . 2]" 1
1540 2 8 MET HA 2 11 LEU H 3.800 . 4.300 3.410 3.166 3.689 . 0 0 "[ . 1 . 2]" 1
1541 2 7 ALA HA 2 11 LEU H 4.500 . 5.000 4.600 4.128 4.955 . 0 0 "[ . 1 . 2]" 1
1542 2 11 LEU H 2 11 LEU HB3 3.800 . 4.300 3.571 3.553 3.581 . 0 0 "[ . 1 . 2]" 1
1543 2 10 THR MG 2 11 LEU H 3.800 . 4.300 3.390 3.264 3.597 . 0 0 "[ . 1 . 2]" 1
1544 2 8 MET ME 2 11 LEU H 5.200 . 5.700 5.009 4.761 5.359 . 0 0 "[ . 1 . 2]" 1
1545 2 76 VAL HA 2 80 ALA H 4.500 . 5.000 4.596 4.341 4.806 . 0 0 "[ . 1 . 2]" 1
1546 2 11 LEU QD 2 12 ILE H 4.500 . 5.000 4.049 3.981 4.271 . 0 0 "[ . 1 . 2]" 1
1547 2 11 LEU HB3 2 12 ILE H 4.500 . 5.000 3.517 3.308 3.806 . 0 0 "[ . 1 . 2]" 1
1548 2 11 LEU HA 2 12 ILE H 3.800 . 4.300 3.542 3.470 3.560 . 0 0 "[ . 1 . 2]" 1
1549 2 12 ILE H 2 12 ILE HB 3.800 . 4.300 2.482 2.404 2.523 . 0 0 "[ . 1 . 2]" 1
1550 2 12 ILE H 2 12 ILE HG13 3.800 . 4.300 2.176 2.021 3.358 . 0 0 "[ . 1 . 2]" 1
1551 2 12 ILE H 2 12 ILE HG12 3.800 . 4.300 3.417 2.259 3.707 . 0 0 "[ . 1 . 2]" 1
1552 2 12 ILE H 2 12 ILE MD 3.800 . 4.300 3.426 3.260 3.736 . 0 0 "[ . 1 . 2]" 1
1553 2 8 MET ME 2 12 ILE H 5.200 . 5.700 5.223 4.768 5.708 0.008 1 0 "[ . 1 . 2]" 1
1554 2 12 ILE H 2 12 ILE MG 4.500 . 5.000 3.745 3.739 3.752 . 0 0 "[ . 1 . 2]" 1
1555 2 11 LEU HB2 2 12 ILE H 4.500 . 5.000 2.658 2.537 3.065 . 0 0 "[ . 1 . 2]" 1
1556 2 12 ILE MD 2 13 ASN H 4.500 . 5.000 4.584 4.468 4.893 . 0 0 "[ . 1 . 2]" 1
1557 2 12 ILE MG 2 13 ASN H 4.500 . 5.000 3.588 3.475 3.739 . 0 0 "[ . 1 . 2]" 1
1558 2 11 LEU HA 2 13 ASN H 4.500 . 5.000 4.245 4.011 4.427 . 0 0 "[ . 1 . 2]" 1
1559 2 12 ILE HB 2 13 ASN H 3.800 . 4.300 2.795 2.640 3.035 . 0 0 "[ . 1 . 2]" 1
1560 2 13 ASN H 2 13 ASN HB3 3.800 . 4.300 2.924 2.435 3.587 . 0 0 "[ . 1 . 2]" 1
1561 2 10 THR HA 2 13 ASN H 3.800 . 4.300 3.425 3.310 3.611 . 0 0 "[ . 1 . 2]" 1
1562 2 13 ASN H 2 13 ASN HB2 3.800 . 4.300 2.471 2.322 3.611 . 0 0 "[ . 1 . 2]" 1
1563 2 10 THR MG 2 13 ASN H 4.500 . 5.000 4.516 4.327 4.617 . 0 0 "[ . 1 . 2]" 1
1564 2 10 THR HA 2 13 ASN HD21 4.500 . 5.000 3.956 1.765 4.940 0.035 19 0 "[ . 1 . 2]" 1
1565 2 13 ASN HB3 2 14 VAL H 3.800 . 4.300 2.782 2.197 3.731 . 0 0 "[ . 1 . 2]" 1
1566 2 11 LEU HA 2 14 VAL H 4.500 . 5.000 3.653 3.471 3.882 . 0 0 "[ . 1 . 2]" 1
1567 2 10 THR HA 2 14 VAL H 4.500 . 5.000 4.363 3.948 4.705 . 0 0 "[ . 1 . 2]" 1
1568 2 13 ASN HB2 2 14 VAL H 3.800 . 4.300 3.351 2.436 3.924 . 0 0 "[ . 1 . 2]" 1
1569 2 14 VAL H 2 14 VAL HB 3.800 . 4.300 2.508 2.366 3.600 . 0 0 "[ . 1 . 2]" 1
1570 2 14 VAL H 2 17 ALA MB 4.500 . 5.000 4.669 4.245 5.008 0.008 8 0 "[ . 1 . 2]" 1
1571 2 57 VAL HA 2 60 GLU H 3.800 . 4.300 3.425 3.284 3.915 . 0 0 "[ . 1 . 2]" 1
1572 2 56 LYS HA 2 60 GLU H 4.500 . 5.000 4.329 4.086 4.451 . 0 0 "[ . 1 . 2]" 1
1573 2 58 MET HA 2 60 GLU H 4.500 . 5.000 4.150 3.981 4.452 . 0 0 "[ . 1 . 2]" 1
1574 2 59 LYS HD2 2 60 GLU H 4.500 . 5.000 3.423 2.715 3.793 . 0 0 "[ . 1 . 2]" 1
1575 2 60 GLU H 2 60 GLU HB2 2.800 . 3.300 2.485 2.404 2.657 . 0 0 "[ . 1 . 2]" 1
1576 2 60 GLU H 2 60 GLU HB3 2.800 . 3.300 2.589 2.419 2.680 . 0 0 "[ . 1 . 2]" 1
1577 2 60 GLU H 2 61 LEU HG 4.500 . 5.000 4.100 3.846 4.401 . 0 0 "[ . 1 . 2]" 1
1578 2 59 LYS HG2 2 60 GLU H 4.500 . 5.000 3.830 3.539 4.476 . 0 0 "[ . 1 . 2]" 1
1579 2 59 LYS HG3 2 60 GLU H 4.500 . 5.000 2.201 1.798 4.843 0.002 9 0 "[ . 1 . 2]" 1
1580 2 14 VAL HB 2 15 PHE H 4.500 . 5.000 2.648 2.339 3.825 . 0 0 "[ . 1 . 2]" 1
1581 2 15 PHE H 2 15 PHE HB2 3.800 . 4.300 2.483 2.305 2.586 . 0 0 "[ . 1 . 2]" 1
1582 2 15 PHE H 2 15 PHE HB3 3.800 . 4.300 2.589 2.478 2.784 . 0 0 "[ . 1 . 2]" 1
1583 2 15 PHE HB2 2 16 HIS H 4.500 . 5.000 3.777 3.606 3.907 . 0 0 "[ . 1 . 2]" 1
1584 2 16 HIS H 2 16 HIS HB2 3.800 . 4.300 2.512 2.334 2.638 . 0 0 "[ . 1 . 2]" 1
1585 2 16 HIS H 2 16 HIS HB3 3.800 . 4.300 2.561 2.436 2.747 . 0 0 "[ . 1 . 2]" 1
1586 2 16 HIS H 2 17 ALA MB 4.500 . 5.000 4.295 4.211 4.382 . 0 0 "[ . 1 . 2]" 1
1587 2 13 ASN HA 2 16 HIS H 4.500 . 5.000 3.806 3.633 4.066 . 0 0 "[ . 1 . 2]" 1
1588 2 15 PHE HB3 2 16 HIS H 4.500 . 5.000 2.457 2.112 2.608 . 0 0 "[ . 1 . 2]" 1
1589 2 14 VAL HA 2 17 ALA H 3.800 . 4.300 3.479 3.313 3.730 . 0 0 "[ . 1 . 2]" 1
1590 2 13 ASN HA 2 17 ALA H 4.500 . 5.000 4.474 3.991 4.829 . 0 0 "[ . 1 . 2]" 1
1591 2 17 ALA H 2 18 HIS HB2 5.200 . 5.700 4.880 4.581 5.394 . 0 0 "[ . 1 . 2]" 1
1592 2 16 HIS HB2 2 17 ALA H 4.500 . 5.000 4.029 3.877 4.181 . 0 0 "[ . 1 . 2]" 1
1593 2 16 HIS HB3 2 17 ALA H 4.500 . 5.000 2.912 2.568 3.194 . 0 0 "[ . 1 . 2]" 1
1594 2 17 ALA H 2 17 ALA MB 2.800 . 3.300 2.198 2.167 2.241 . 0 0 "[ . 1 . 2]" 1
1595 2 17 ALA HA 2 18 HIS H 3.800 . 4.300 3.556 3.524 3.577 . 0 0 "[ . 1 . 2]" 1
1596 2 18 HIS H 2 18 HIS HB2 3.800 . 4.300 2.390 2.295 2.550 . 0 0 "[ . 1 . 2]" 1
1597 2 17 ALA MB 2 18 HIS H 3.800 . 4.300 2.425 2.131 2.638 . 0 0 "[ . 1 . 2]" 1
1598 2 18 HIS H 2 19 SER HA 4.500 . 5.000 4.843 4.626 5.006 0.006 6 0 "[ . 1 . 2]" 1
1599 2 16 HIS HA 2 18 HIS H 4.500 . 5.000 4.466 3.908 4.700 . 0 0 "[ . 1 . 2]" 1
1600 2 19 SER HA 2 20 GLY H 3.800 . 4.300 3.500 3.455 3.556 . 0 0 "[ . 1 . 2]" 1
1601 2 20 GLY H 2 25 LYS HA 4.500 . 5.000 4.724 3.984 5.008 0.008 17 0 "[ . 1 . 2]" 1
1602 2 21 LYS H 2 21 LYS HG2 4.500 . 5.000 3.826 2.559 5.011 0.011 8 0 "[ . 1 . 2]" 1
1603 2 21 LYS H 2 21 LYS HG3 4.500 . 5.000 3.333 2.169 4.803 . 0 0 "[ . 1 . 2]" 1
1604 2 22 GLU HG2 2 23 GLY H 4.500 . 5.000 3.744 2.090 4.977 . 0 0 "[ . 1 . 2]" 1
1605 2 22 GLU HG3 2 23 GLY H 4.500 . 5.000 4.064 2.668 5.008 0.008 13 0 "[ . 1 . 2]" 1
1606 2 22 GLU HB3 2 23 GLY H 4.500 . 5.000 3.313 1.789 4.415 0.011 20 0 "[ . 1 . 2]" 1
1607 2 22 GLU HA 2 23 GLY H 3.800 . 4.300 2.952 2.150 3.575 . 0 0 "[ . 1 . 2]" 1
1608 2 22 GLU HB2 2 23 GLY H 4.500 . 5.000 3.590 1.868 4.659 . 0 0 "[ . 1 . 2]" 1
1609 2 23 GLY HA2 2 24 ASP H 3.800 . 4.300 3.110 2.506 3.563 . 0 0 "[ . 1 . 2]" 1
1610 2 23 GLY HA3 2 24 ASP H 3.800 . 4.300 2.635 2.146 3.570 . 0 0 "[ . 1 . 2]" 1
1611 2 25 LYS H 2 25 LYS HB3 3.800 . 4.300 3.165 2.585 4.059 . 0 0 "[ . 1 . 2]" 1
1612 2 25 LYS H 2 25 LYS HB2 3.800 . 4.300 3.074 2.348 3.948 . 0 0 "[ . 1 . 2]" 1
1613 2 25 LYS H 2 25 LYS HG3 4.500 . 5.000 3.596 2.196 4.783 . 0 0 "[ . 1 . 2]" 1
1614 2 24 ASP HA 2 25 LYS H 3.800 . 4.300 2.448 2.143 3.320 . 0 0 "[ . 1 . 2]" 1
1615 2 25 LYS H 2 25 LYS HG2 4.500 . 5.000 3.513 1.809 4.767 . 0 0 "[ . 1 . 2]" 1
1616 2 25 LYS HB3 2 26 TYR H 4.500 . 5.000 4.138 2.983 4.658 . 0 0 "[ . 1 . 2]" 1
1617 2 25 LYS HB2 2 26 TYR H 4.500 . 5.000 4.154 3.223 4.672 . 0 0 "[ . 1 . 2]" 1
1618 2 25 LYS HA 2 26 TYR H 3.800 . 4.300 3.062 2.376 3.469 . 0 0 "[ . 1 . 2]" 1
1619 2 26 TYR H 2 26 TYR HB3 3.800 . 4.300 3.425 2.380 3.891 . 0 0 "[ . 1 . 2]" 1
1620 2 26 TYR H 2 26 TYR HB2 3.800 . 4.300 3.000 2.409 4.067 . 0 0 "[ . 1 . 2]" 1
1621 2 24 ASP HA 2 26 TYR H 4.500 . 5.000 3.825 2.954 4.769 . 0 0 "[ . 1 . 2]" 1
1622 2 25 LYS HA 2 27 LYS H 4.500 . 5.000 4.176 3.578 4.762 . 0 0 "[ . 1 . 2]" 1
1623 2 26 TYR HB2 2 27 LYS H 4.500 . 5.000 3.529 2.459 4.563 . 0 0 "[ . 1 . 2]" 1
1624 2 27 LYS H 2 27 LYS HG2 4.500 . 5.000 3.244 1.955 4.550 . 0 0 "[ . 1 . 2]" 1
1625 2 26 TYR HB3 2 27 LYS H 4.500 . 5.000 3.687 2.431 4.600 . 0 0 "[ . 1 . 2]" 1
1626 2 28 LEU H 2 70 ASP HA 4.500 . 5.000 4.711 3.865 5.020 0.020 18 0 "[ . 1 . 2]" 1
1627 2 27 LYS HD3 2 28 LEU H 4.500 . 5.000 4.567 3.338 5.012 0.012 2 0 "[ . 1 . 2]" 1
1628 2 28 LEU H 2 28 LEU MD1 5.200 . 5.700 4.298 3.828 4.712 . 0 0 "[ . 1 . 2]" 1
1629 2 28 LEU H 2 28 LEU MD2 5.200 . 5.700 4.097 2.932 4.450 . 0 0 "[ . 1 . 2]" 1
1630 2 27 LYS HG3 2 28 LEU H 4.500 . 5.000 3.704 2.614 4.868 . 0 0 "[ . 1 . 2]" 1
1631 2 27 LYS HA 2 28 LEU H 3.800 . 4.300 2.527 2.180 2.757 . 0 0 "[ . 1 . 2]" 1
1632 2 28 LEU H 2 28 LEU HB3 3.800 . 4.300 3.047 2.522 3.648 . 0 0 "[ . 1 . 2]" 1
1633 2 28 LEU H 2 28 LEU HB2 3.800 . 4.300 2.747 2.242 3.069 . 0 0 "[ . 1 . 2]" 1
1634 2 27 LYS HD2 2 28 LEU H 4.500 . 5.000 4.261 3.549 5.013 0.013 12 0 "[ . 1 . 2]" 1
1635 2 27 LYS HG2 2 28 LEU H 4.500 . 5.000 4.113 2.314 5.017 0.017 20 0 "[ . 1 . 2]" 1
1636 2 28 LEU H 2 69 VAL QG 4.500 . 5.000 3.769 2.660 4.378 . 0 0 "[ . 1 . 2]" 1
1637 2 28 LEU HB2 2 29 SER H 4.500 . 5.000 4.474 4.131 4.605 . 0 0 "[ . 1 . 2]" 1
1638 2 28 LEU HB3 2 29 SER H 4.500 . 5.000 3.959 2.889 4.226 . 0 0 "[ . 1 . 2]" 1
1639 2 29 SER H 2 32 GLN HB3 4.500 . 5.000 4.691 3.682 5.006 0.006 3 0 "[ . 1 . 2]" 1
1640 2 29 SER H 2 32 GLN HB2 4.500 . 5.000 3.207 2.165 3.625 . 0 0 "[ . 1 . 2]" 1
1641 2 29 SER H 2 68 GLU HA 5.200 . 5.700 5.071 4.754 5.361 . 0 0 "[ . 1 . 2]" 1
1642 2 29 SER H 2 69 VAL QG 4.500 . 5.000 4.713 4.401 4.920 . 0 0 "[ . 1 . 2]" 1
1643 2 31 LYS H 2 31 LYS HB2 3.800 . 4.300 2.536 2.329 3.576 . 0 0 "[ . 1 . 2]" 1
1644 2 31 LYS H 2 31 LYS HB3 3.800 . 4.300 2.672 2.533 2.820 . 0 0 "[ . 1 . 2]" 1
1645 2 31 LYS H 2 31 LYS HD2 5.200 . 5.700 4.676 4.325 4.977 . 0 0 "[ . 1 . 2]" 1
1646 2 31 LYS H 2 31 LYS HD3 5.200 . 5.700 4.916 3.995 5.712 0.012 6 0 "[ . 1 . 2]" 1
1647 2 29 SER HB3 2 30 LYS H 4.500 . 5.000 3.840 2.668 4.223 . 0 0 "[ . 1 . 2]" 1
1648 2 29 SER HB2 2 30 LYS H 4.500 . 5.000 3.643 2.602 4.176 . 0 0 "[ . 1 . 2]" 1
1649 2 29 SER HA 2 30 LYS H 3.800 . 4.300 2.270 2.173 2.358 . 0 0 "[ . 1 . 2]" 1
1650 2 30 LYS H 2 68 GLU HA 3.800 . 4.300 2.811 2.124 3.211 . 0 0 "[ . 1 . 2]" 1
1651 2 30 LYS H 2 68 GLU HB2 5.200 . 5.700 5.116 4.498 5.619 . 0 0 "[ . 1 . 2]" 1
1652 2 30 LYS H 2 68 GLU HB3 5.200 . 5.700 4.494 3.994 5.014 . 0 0 "[ . 1 . 2]" 1
1653 2 30 LYS H 2 30 LYS HB3 3.800 . 4.300 3.531 2.571 3.617 . 0 0 "[ . 1 . 2]" 1
1654 2 30 LYS H 2 30 LYS HB2 3.800 . 4.300 2.428 2.307 2.615 . 0 0 "[ . 1 . 2]" 1
1655 2 30 LYS H 2 69 VAL QG 4.500 . 5.000 3.863 3.127 4.245 . 0 0 "[ . 1 . 2]" 1
1656 2 37 LEU H 2 37 LEU HB2 3.800 . 4.300 2.240 2.174 2.350 . 0 0 "[ . 1 . 2]" 1
1657 2 37 LEU H 2 37 LEU HB3 3.800 . 4.300 2.875 2.740 2.980 . 0 0 "[ . 1 . 2]" 1
1658 2 36 LEU HG 2 37 LEU H 4.500 . 5.000 3.356 2.114 3.754 . 0 0 "[ . 1 . 2]" 1
1659 2 28 LEU HG 2 29 SER H 4.500 . 5.000 4.209 2.926 5.002 0.002 17 0 "[ . 1 . 2]" 1
1660 2 36 LEU QD 2 37 LEU H . . 4.300 3.722 3.064 3.939 . 0 0 "[ . 1 . 2]" 1
1661 2 31 LYS HB3 2 32 GLN H 4.500 . 5.000 2.668 2.367 4.104 . 0 0 "[ . 1 . 2]" 1
1662 2 31 LYS HB2 2 32 GLN H 4.500 . 5.000 3.738 3.399 3.897 . 0 0 "[ . 1 . 2]" 1
1663 2 32 GLN H 2 32 GLN HB3 3.800 . 4.300 3.599 3.579 3.629 . 0 0 "[ . 1 . 2]" 1
1664 2 32 GLN H 2 32 GLN HB2 3.800 . 4.300 2.447 2.348 2.534 . 0 0 "[ . 1 . 2]" 1
1665 2 31 LYS HG2 2 32 GLN H 4.500 . 5.000 3.909 2.925 4.643 . 0 0 "[ . 1 . 2]" 1
1666 2 31 LYS HG3 2 32 GLN H 4.500 . 5.000 4.327 1.810 4.912 . 0 0 "[ . 1 . 2]" 1
1667 2 31 LYS HD2 2 32 GLN H 5.200 . 5.700 5.148 2.904 5.562 . 0 0 "[ . 1 . 2]" 1
1668 2 31 LYS HD3 2 32 GLN H 5.200 . 5.700 4.950 4.472 5.732 0.032 19 0 "[ . 1 . 2]" 1
1669 2 33 LEU H 2 69 VAL QG 4.500 . 5.000 4.527 4.235 4.778 . 0 0 "[ . 1 . 2]" 1
1670 2 30 LYS HA 2 33 LEU H 3.800 . 4.300 3.198 2.922 3.606 . 0 0 "[ . 1 . 2]" 1
1671 2 33 LEU H 2 33 LEU HB2 3.800 . 4.300 2.437 2.164 2.587 . 0 0 "[ . 1 . 2]" 1
1672 2 33 LEU H 2 33 LEU HB3 3.800 . 4.300 2.638 2.466 2.981 . 0 0 "[ . 1 . 2]" 1
1673 2 32 GLN HB2 2 33 LEU H 4.500 . 5.000 2.866 2.623 3.076 . 0 0 "[ . 1 . 2]" 1
1674 2 32 GLN HB3 2 33 LEU H 4.500 . 5.000 3.846 3.646 4.055 . 0 0 "[ . 1 . 2]" 1
1675 2 33 LEU H 2 33 LEU QD 4.500 . 5.000 3.602 3.261 3.737 . 0 0 "[ . 1 . 2]" 1
1676 2 31 LYS HA 2 33 LEU H 4.500 . 5.000 4.329 4.127 4.596 . 0 0 "[ . 1 . 2]" 1
1677 2 33 LEU H 2 34 LYS HB3 4.500 . 5.000 4.828 4.696 5.026 0.026 19 0 "[ . 1 . 2]" 1
1678 2 33 LEU HG 2 34 LYS H 4.500 . 5.000 4.001 3.431 4.997 . 0 0 "[ . 1 . 2]" 1
1679 2 33 LEU QD 2 34 LYS H . . 4.300 3.801 3.081 4.076 . 0 0 "[ . 1 . 2]" 1
1680 2 30 LYS HA 2 34 LYS H 4.500 . 5.000 4.264 3.635 4.700 . 0 0 "[ . 1 . 2]" 1
1681 2 31 LYS HA 2 34 LYS H 4.500 . 5.000 3.897 3.618 4.380 . 0 0 "[ . 1 . 2]" 1
1682 2 32 GLN HA 2 34 LYS H 5.200 . 5.700 4.221 3.899 5.014 . 0 0 "[ . 1 . 2]" 1
1683 2 33 LEU HB2 2 34 LYS H 4.500 . 5.000 3.810 3.357 3.980 . 0 0 "[ . 1 . 2]" 1
1684 2 34 LYS H 2 34 LYS HB2 3.800 . 4.300 3.026 2.640 3.572 . 0 0 "[ . 1 . 2]" 1
1685 2 34 LYS H 2 34 LYS HB3 3.800 . 4.300 2.362 2.294 2.416 . 0 0 "[ . 1 . 2]" 1
1686 2 34 LYS H 2 34 LYS HD2 5.200 . 5.700 4.503 3.527 4.990 . 0 0 "[ . 1 . 2]" 1
1687 2 34 LYS H 2 34 LYS HD3 5.200 . 5.700 4.742 3.810 5.046 . 0 0 "[ . 1 . 2]" 1
1688 2 34 LYS H 2 61 LEU MD2 4.500 . 5.000 4.374 3.940 4.875 . 0 0 "[ . 1 . 2]" 1
1689 2 34 LYS H 2 34 LYS HG2 3.800 . 4.300 3.620 2.467 4.370 0.070 17 0 "[ . 1 . 2]" 1
1690 2 34 LYS H 2 61 LEU MD1 4.500 . 5.000 2.917 2.167 3.827 . 0 0 "[ . 1 . 2]" 1
1691 2 34 LYS H 2 34 LYS HG3 4.500 . 5.000 4.213 3.788 4.477 . 0 0 "[ . 1 . 2]" 1
1692 2 34 LYS HG2 2 35 GLU H 4.500 . 5.000 2.736 1.792 3.538 0.008 8 0 "[ . 1 . 2]" 1
1693 2 34 LYS HG3 2 35 GLU H 4.500 . 5.000 3.602 2.318 4.478 . 0 0 "[ . 1 . 2]" 1
1694 2 32 GLN HA 2 35 GLU H 4.500 . 5.000 3.496 3.247 3.791 . 0 0 "[ . 1 . 2]" 1
1695 2 33 LEU HA 2 35 GLU H 4.500 . 5.000 4.295 3.974 4.973 . 0 0 "[ . 1 . 2]" 1
1696 2 35 GLU H 2 35 GLU HG3 4.500 . 5.000 3.215 2.057 4.658 . 0 0 "[ . 1 . 2]" 1
1697 2 35 GLU H 2 35 GLU HG2 4.500 . 5.000 3.829 3.255 4.450 . 0 0 "[ . 1 . 2]" 1
1698 2 34 LYS HB2 2 35 GLU H 4.500 . 5.000 3.900 3.666 4.130 . 0 0 "[ . 1 . 2]" 1
1699 2 34 LYS HB3 2 35 GLU H 4.500 . 5.000 3.048 2.166 3.939 . 0 0 "[ . 1 . 2]" 1
1700 2 36 LEU H 2 36 LEU HG 4.500 . 5.000 4.305 2.500 4.437 . 0 0 "[ . 1 . 2]" 1
1701 2 32 GLN HA 2 36 LEU H 4.500 . 5.000 4.292 3.768 4.611 . 0 0 "[ . 1 . 2]" 1
1702 2 33 LEU HA 2 36 LEU H 3.800 . 4.300 3.319 3.099 3.651 . 0 0 "[ . 1 . 2]" 1
1703 2 36 LEU H 2 36 LEU HB2 3.800 . 4.300 2.665 2.573 3.595 . 0 0 "[ . 1 . 2]" 1
1704 2 36 LEU H 2 36 LEU HB3 3.800 . 4.300 2.450 2.388 2.498 . 0 0 "[ . 1 . 2]" 1
1705 2 36 LEU H 2 36 LEU QD 4.500 . 5.000 3.648 2.909 3.750 . 0 0 "[ . 1 . 2]" 1
1706 2 34 LYS HA 2 37 LEU H 4.500 . 5.000 3.890 3.572 4.258 . 0 0 "[ . 1 . 2]" 1
1707 2 33 LEU HA 2 37 LEU H 4.500 . 5.000 3.670 3.251 3.974 . 0 0 "[ . 1 . 2]" 1
1708 2 34 LYS HA 2 38 GLN H 4.500 . 5.000 4.274 3.762 4.926 . 0 0 "[ . 1 . 2]" 1
1709 2 35 GLU HA 2 38 GLN H 4.500 . 5.000 3.804 3.496 4.213 . 0 0 "[ . 1 . 2]" 1
1710 2 37 LEU HB2 2 38 GLN H 3.800 . 4.300 3.434 3.298 3.736 . 0 0 "[ . 1 . 2]" 1
1711 2 37 LEU HB3 2 38 GLN H 3.800 . 4.300 2.217 2.003 2.655 . 0 0 "[ . 1 . 2]" 1
1712 2 38 GLN H 2 38 GLN HG2 3.800 . 4.300 2.458 1.826 4.356 0.056 12 0 "[ . 1 . 2]" 1
1713 2 38 GLN H 2 38 GLN HG3 3.800 . 4.300 3.215 1.830 4.425 0.125 2 0 "[ . 1 . 2]" 1
1714 2 38 GLN H 2 38 GLN HB3 3.800 . 4.300 2.752 2.367 3.575 . 0 0 "[ . 1 . 2]" 1
1715 2 38 GLN H 2 38 GLN HB2 3.800 . 4.300 3.271 2.641 3.606 . 0 0 "[ . 1 . 2]" 1
1716 2 37 LEU MD2 2 38 GLN H 4.500 . 5.000 3.904 3.659 4.351 . 0 0 "[ . 1 . 2]" 1
1717 2 37 LEU MD1 2 38 GLN H 4.500 . 5.000 4.620 4.487 4.809 . 0 0 "[ . 1 . 2]" 1
1718 2 38 GLN H 2 58 MET ME 4.500 . 5.000 3.631 3.102 4.119 . 0 0 "[ . 1 . 2]" 1
1719 2 39 THR H 2 39 THR HB 3.800 . 4.300 2.557 2.398 2.781 . 0 0 "[ . 1 . 2]" 1
1720 2 35 GLU HA 2 39 THR H 4.500 . 5.000 3.544 3.285 4.791 . 0 0 "[ . 1 . 2]" 1
1721 2 37 LEU HA 2 39 THR H 4.500 . 5.000 4.784 4.537 4.956 . 0 0 "[ . 1 . 2]" 1
1722 2 38 GLN HG2 2 39 THR H 3.800 . 4.300 2.784 1.788 4.323 0.023 18 0 "[ . 1 . 2]" 1
1723 2 38 GLN HB3 2 39 THR H 4.500 . 5.000 3.627 2.469 3.979 . 0 0 "[ . 1 . 2]" 1
1724 2 39 THR H 2 39 THR MG 3.800 . 4.300 3.676 2.243 3.764 . 0 0 "[ . 1 . 2]" 1
1725 2 38 GLN HA 2 39 THR H 3.800 . 4.300 3.556 3.536 3.566 . 0 0 "[ . 1 . 2]" 1
1726 2 38 GLN HG3 2 39 THR H 3.800 . 4.300 2.833 2.058 4.252 . 0 0 "[ . 1 . 2]" 1
1727 2 38 GLN HB2 2 39 THR H 4.500 . 5.000 3.409 2.384 3.890 . 0 0 "[ . 1 . 2]" 1
1728 2 37 LEU HA 2 40 GLU H 4.500 . 5.000 4.080 3.532 4.286 . 0 0 "[ . 1 . 2]" 1
1729 2 39 THR HB 2 40 GLU H 3.800 . 4.300 2.572 2.334 3.763 . 0 0 "[ . 1 . 2]" 1
1730 2 40 GLU H 2 40 GLU HG2 3.800 . 4.300 2.534 2.108 3.964 . 0 0 "[ . 1 . 2]" 1
1731 2 40 GLU H 2 40 GLU HG3 4.500 . 5.000 3.588 2.551 3.834 . 0 0 "[ . 1 . 2]" 1
1732 2 40 GLU H 2 40 GLU HB3 3.800 . 4.300 3.599 3.527 3.655 . 0 0 "[ . 1 . 2]" 1
1733 2 39 THR MG 2 40 GLU H 3.800 . 4.300 3.180 1.803 3.696 . 0 0 "[ . 1 . 2]" 1
1734 2 40 GLU H 2 40 GLU HB2 3.800 . 4.300 2.408 2.230 2.521 . 0 0 "[ . 1 . 2]" 1
1735 2 41 LEU H 2 41 LEU HB2 3.800 . 4.300 2.425 2.245 2.568 . 0 0 "[ . 1 . 2]" 1
1736 2 40 GLU HG2 2 41 LEU H 4.500 . 5.000 4.333 4.078 5.005 0.005 9 0 "[ . 1 . 2]" 1
1737 2 41 LEU H 2 41 LEU HG 4.500 . 5.000 2.806 2.079 3.973 . 0 0 "[ . 1 . 2]" 1
1738 2 41 LEU H 2 41 LEU MD1 4.500 . 5.000 3.287 1.933 3.899 . 0 0 "[ . 1 . 2]" 1
1739 2 41 LEU H 2 41 LEU MD2 4.500 . 5.000 3.358 1.924 4.142 . 0 0 "[ . 1 . 2]" 1
1740 2 41 LEU H 2 42 SER HA 4.500 . 5.000 4.782 4.641 4.910 . 0 0 "[ . 1 . 2]" 1
1741 2 37 LEU HA 2 41 LEU H 4.500 . 5.000 4.067 3.516 4.345 . 0 0 "[ . 1 . 2]" 1
1742 2 41 LEU HB2 2 42 SER H 4.500 . 5.000 3.967 3.538 4.328 . 0 0 "[ . 1 . 2]" 1
1743 2 42 SER H 2 42 SER HB3 3.800 . 4.300 2.750 2.255 3.608 . 0 0 "[ . 1 . 2]" 1
1744 2 42 SER H 2 42 SER HB2 3.800 . 4.300 2.856 2.360 3.615 . 0 0 "[ . 1 . 2]" 1
1745 2 40 GLU HA 2 42 SER H 4.500 . 5.000 3.630 3.357 3.968 . 0 0 "[ . 1 . 2]" 1
1746 2 41 LEU HA 2 42 SER H 3.800 . 4.300 3.031 2.694 3.278 . 0 0 "[ . 1 . 2]" 1
1747 2 39 THR MG 2 42 SER H 5.200 . 5.700 4.954 4.481 5.445 . 0 0 "[ . 1 . 2]" 1
1748 2 41 LEU HA 2 44 PHE H 4.500 . 5.000 3.179 2.839 3.669 . 0 0 "[ . 1 . 2]" 1
1749 2 44 PHE H 2 44 PHE HB2 3.800 . 4.300 2.240 2.192 2.456 . 0 0 "[ . 1 . 2]" 1
1750 2 41 LEU HB3 2 44 PHE H 4.500 . 5.000 3.842 3.478 4.291 . 0 0 "[ . 1 . 2]" 1
1751 2 44 PHE H 2 44 PHE HB3 3.800 . 4.300 3.525 3.503 3.589 . 0 0 "[ . 1 . 2]" 1
1752 2 45 LEU H 2 46 ASP HB2 4.500 . 5.000 4.855 4.692 5.009 0.009 20 0 "[ . 1 . 2]" 1
1753 2 42 SER HA 2 45 LEU H 4.500 . 5.000 3.732 3.507 4.063 . 0 0 "[ . 1 . 2]" 1
1754 2 45 LEU H 2 45 LEU HB2 3.800 . 4.300 2.362 2.224 2.556 . 0 0 "[ . 1 . 2]" 1
1755 2 45 LEU H 2 45 LEU HB3 3.800 . 4.300 3.565 3.523 3.591 . 0 0 "[ . 1 . 2]" 1
1756 2 44 PHE HB3 2 45 LEU H 3.800 . 4.300 3.374 3.036 3.636 . 0 0 "[ . 1 . 2]" 1
1757 2 44 PHE HB2 2 45 LEU H 3.800 . 4.300 2.777 2.573 2.906 . 0 0 "[ . 1 . 2]" 1
1758 2 45 LEU H 2 45 LEU HG 3.800 . 4.300 2.637 1.965 3.793 . 0 0 "[ . 1 . 2]" 1
1759 2 45 LEU H 2 45 LEU MD2 4.500 . 5.000 3.622 1.801 3.985 . 0 0 "[ . 1 . 2]" 1
1760 2 45 LEU H 2 45 LEU MD1 4.500 . 5.000 3.102 1.824 3.879 . 0 0 "[ . 1 . 2]" 1
1761 2 42 SER HA 2 46 ASP H 4.500 . 5.000 4.784 4.525 5.008 0.008 5 0 "[ . 1 . 2]" 1
1762 2 45 LEU HA 2 46 ASP H 3.800 . 4.300 3.481 3.395 3.530 . 0 0 "[ . 1 . 2]" 1
1763 2 46 ASP H 2 46 ASP HB2 2.800 . 3.300 2.428 2.292 2.580 . 0 0 "[ . 1 . 2]" 1
1764 2 45 LEU HB2 2 46 ASP H 4.500 . 5.000 2.986 2.739 3.238 . 0 0 "[ . 1 . 2]" 1
1765 2 45 LEU HB3 2 46 ASP H 4.500 . 5.000 3.753 3.556 4.057 . 0 0 "[ . 1 . 2]" 1
1766 2 44 PHE HA 2 46 ASP H 4.500 . 5.000 3.902 3.646 4.258 . 0 0 "[ . 1 . 2]" 1
1767 2 44 PHE HA 2 47 ALA H 4.500 . 5.000 3.837 3.307 4.460 . 0 0 "[ . 1 . 2]" 1
1768 2 46 ASP HA 2 47 ALA H 3.800 . 4.300 3.395 3.103 3.536 . 0 0 "[ . 1 . 2]" 1
1769 2 46 ASP HB2 2 47 ALA H 4.500 . 5.000 3.633 2.683 4.417 . 0 0 "[ . 1 . 2]" 1
1770 2 47 ALA H 2 48 GLN HG2 4.500 . 5.000 4.026 3.289 4.595 . 0 0 "[ . 1 . 2]" 1
1771 2 45 LEU HA 2 47 ALA H 3.800 . 4.300 3.586 3.133 4.112 . 0 0 "[ . 1 . 2]" 1
1772 2 47 ALA H 2 48 GLN HG3 4.500 . 5.000 3.373 2.465 4.999 . 0 0 "[ . 1 . 2]" 1
1773 2 47 ALA HA 2 48 GLN H 2.800 . 3.300 2.393 2.144 3.505 0.205 12 0 "[ . 1 . 2]" 1
1774 2 48 GLN H 2 48 GLN HB3 3.800 . 4.300 3.759 2.640 4.052 . 0 0 "[ . 1 . 2]" 1
1775 2 48 GLN H 2 48 GLN HB2 3.800 . 4.300 2.978 2.513 3.724 . 0 0 "[ . 1 . 2]" 1
1776 2 47 ALA MB 2 48 GLN H 4.500 . 5.000 3.251 1.747 3.708 0.053 9 0 "[ . 1 . 2]" 1
1777 2 48 GLN H 2 85 CYS HA 5.200 . 5.700 5.187 3.495 5.691 . 0 0 "[ . 1 . 2]" 1
1778 2 45 LEU HA 2 48 GLN HE21 4.500 . 5.000 3.398 2.006 4.809 . 0 0 "[ . 1 . 2]" 1
1779 2 45 LEU HA 2 48 GLN HE22 4.500 . 5.000 3.694 2.927 4.752 . 0 0 "[ . 1 . 2]" 1
1780 2 48 GLN HB3 2 49 LYS H 3.800 . 4.300 3.321 2.276 4.147 . 0 0 "[ . 1 . 2]" 1
1781 2 49 LYS H 2 85 CYS HA 3.800 . 4.300 3.163 2.201 3.774 . 0 0 "[ . 1 . 2]" 1
1782 2 48 GLN HA 2 49 LYS H 3.800 . 4.300 2.262 2.145 2.557 . 0 0 "[ . 1 . 2]" 1
1783 2 49 LYS H 2 49 LYS HG2 4.500 . 5.000 4.069 2.185 4.957 . 0 0 "[ . 1 . 2]" 1
1784 2 49 LYS H 2 49 LYS HG3 4.500 . 5.000 3.755 2.206 4.738 . 0 0 "[ . 1 . 2]" 1
1785 2 49 LYS H 2 84 ALA MB 4.500 . 5.000 4.103 3.409 4.922 . 0 0 "[ . 1 . 2]" 1
1786 2 83 VAL H 2 84 ALA MB 5.200 . 5.700 4.296 4.189 4.420 . 0 0 "[ . 1 . 2]" 1
1787 2 83 VAL H 2 83 VAL HB 3.800 . 4.300 2.487 2.413 2.546 . 0 0 "[ . 1 . 2]" 1
1788 2 83 VAL H 2 83 VAL MG1 4.500 . 5.000 3.745 3.732 3.753 . 0 0 "[ . 1 . 2]" 1
1789 2 82 THR MG 2 83 VAL H 3.800 . 4.300 3.491 3.343 3.583 . 0 0 "[ . 1 . 2]" 1
1790 2 79 ALA MB 2 83 VAL H 4.500 . 5.000 4.720 4.463 5.010 0.010 7 0 "[ . 1 . 2]" 1
1791 2 80 ALA MB 2 83 VAL H 4.500 . 5.000 4.749 4.635 4.886 . 0 0 "[ . 1 . 2]" 1
1792 2 72 GLN HA 2 76 VAL H 4.500 . 5.000 4.621 3.989 4.840 . 0 0 "[ . 1 . 2]" 1
1793 2 73 GLU HA 2 76 VAL H 4.500 . 5.000 3.319 3.142 3.456 . 0 0 "[ . 1 . 2]" 1
1794 2 76 VAL H 2 76 VAL HB 3.800 . 4.300 2.516 2.383 2.619 . 0 0 "[ . 1 . 2]" 1
1795 2 75 VAL HB 2 76 VAL H 3.800 . 4.300 3.028 2.994 3.050 . 0 0 "[ . 1 . 2]" 1
1796 2 48 GLN HB3 2 50 ASP H 4.500 . 5.000 3.455 2.650 5.007 0.007 3 0 "[ . 1 . 2]" 1
1797 2 48 GLN HB2 2 50 ASP H 4.500 . 5.000 4.206 3.312 5.006 0.006 6 0 "[ . 1 . 2]" 1
1798 2 49 LYS HG2 2 50 ASP H 5.200 . 5.700 4.519 3.658 5.505 . 0 0 "[ . 1 . 2]" 1
1799 2 50 ASP H 2 85 CYS HA 4.500 . 5.000 4.600 3.562 5.006 0.006 11 0 "[ . 1 . 2]" 1
1800 2 48 GLN HA 2 50 ASP H 4.500 . 5.000 3.817 3.078 4.586 . 0 0 "[ . 1 . 2]" 1
1801 2 50 ASP H 2 84 ALA HA 4.500 . 5.000 4.082 3.216 4.734 . 0 0 "[ . 1 . 2]" 1
1802 2 50 ASP H 2 50 ASP HB2 3.800 . 4.300 2.803 2.381 3.222 . 0 0 "[ . 1 . 2]" 1
1803 2 50 ASP H 2 50 ASP HB3 3.800 . 4.300 3.300 2.545 3.933 . 0 0 "[ . 1 . 2]" 1
1804 2 49 LYS HB2 2 50 ASP H 4.500 . 5.000 3.465 2.273 4.117 . 0 0 "[ . 1 . 2]" 1
1805 2 49 LYS HB3 2 50 ASP H 4.500 . 5.000 3.263 2.374 4.250 . 0 0 "[ . 1 . 2]" 1
1806 2 49 LYS HG3 2 50 ASP H 5.200 . 5.700 4.632 3.979 5.272 . 0 0 "[ . 1 . 2]" 1
1807 2 50 ASP H 2 84 ALA MB 3.800 . 4.300 3.152 2.483 3.792 . 0 0 "[ . 1 . 2]" 1
1808 2 50 ASP HA 2 51 VAL H 2.800 . 3.300 2.367 2.145 2.615 . 0 0 "[ . 1 . 2]" 1
1809 2 51 VAL H 2 51 VAL HB 3.800 . 4.300 2.476 2.359 2.765 . 0 0 "[ . 1 . 2]" 1
1810 2 72 GLN HB3 2 73 GLU H 4.500 . 5.000 3.919 3.339 4.053 . 0 0 "[ . 1 . 2]" 1
1811 2 51 VAL HA 2 52 ASP H 3.800 . 4.300 3.466 3.360 3.531 . 0 0 "[ . 1 . 2]" 1
1812 2 50 ASP HA 2 52 ASP H 4.500 . 5.000 3.283 2.972 3.635 . 0 0 "[ . 1 . 2]" 1
1813 2 51 VAL HB 2 52 ASP H 3.800 . 4.300 3.901 2.781 4.178 . 0 0 "[ . 1 . 2]" 1
1814 2 51 VAL HA 2 53 ALA H 4.500 . 5.000 4.103 3.979 4.250 . 0 0 "[ . 1 . 2]" 1
1815 2 50 ASP HA 2 53 ALA H 4.500 . 5.000 4.349 3.880 4.806 . 0 0 "[ . 1 . 2]" 1
1816 2 53 ALA H 2 54 VAL HB 4.500 . 5.000 4.751 4.618 4.910 . 0 0 "[ . 1 . 2]" 1
1817 2 53 ALA H 2 84 ALA MB 4.500 . 5.000 4.373 3.952 4.618 . 0 0 "[ . 1 . 2]" 1
1818 2 53 ALA H 2 53 ALA MB 2.800 . 3.300 2.217 2.151 2.256 . 0 0 "[ . 1 . 2]" 1
1819 2 53 ALA H 2 54 VAL HA 5.200 . 5.700 5.178 5.074 5.335 . 0 0 "[ . 1 . 2]" 1
1820 2 51 VAL HA 2 54 VAL H 3.800 . 4.300 3.136 2.959 3.334 . 0 0 "[ . 1 . 2]" 1
1821 2 54 VAL H 2 54 VAL HB 2.800 . 3.300 2.527 2.439 2.766 . 0 0 "[ . 1 . 2]" 1
1822 2 54 VAL H 2 84 ALA MB 4.500 . 5.000 3.826 3.398 4.249 . 0 0 "[ . 1 . 2]" 1
1823 2 53 ALA MB 2 54 VAL H 3.800 . 4.300 2.589 2.255 2.858 . 0 0 "[ . 1 . 2]" 1
1824 2 51 VAL HA 2 55 ASP H 4.500 . 5.000 3.960 3.437 4.380 . 0 0 "[ . 1 . 2]" 1
1825 2 53 ALA HA 2 55 ASP H 4.500 . 5.000 4.365 3.941 4.637 . 0 0 "[ . 1 . 2]" 1
1826 2 55 ASP H 2 55 ASP HB2 2.800 . 3.300 2.463 2.362 2.592 . 0 0 "[ . 1 . 2]" 1
1827 2 55 ASP H 2 55 ASP HB3 3.800 . 4.300 2.710 2.486 3.590 . 0 0 "[ . 1 . 2]" 1
1828 2 54 VAL HB 2 55 ASP H 3.800 . 4.300 2.650 2.382 3.025 . 0 0 "[ . 1 . 2]" 1
1829 2 51 VAL MG1 2 55 ASP H 5.200 . 5.700 4.347 2.921 4.693 . 0 0 "[ . 1 . 2]" 1
1830 2 51 VAL MG2 2 55 ASP H 5.200 . 5.700 3.534 2.891 4.828 . 0 0 "[ . 1 . 2]" 1
1831 2 53 ALA MB 2 55 ASP H 4.500 . 5.000 4.524 4.205 4.742 . 0 0 "[ . 1 . 2]" 1
1832 2 53 ALA HA 2 56 LYS H 4.500 . 5.000 3.528 3.056 4.069 . 0 0 "[ . 1 . 2]" 1
1833 2 55 ASP HB3 2 56 LYS H 3.800 . 4.300 2.769 2.466 3.384 . 0 0 "[ . 1 . 2]" 1
1834 2 56 LYS H 2 56 LYS HD2 4.500 . 5.000 4.586 3.957 4.958 . 0 0 "[ . 1 . 2]" 1
1835 2 56 LYS H 2 56 LYS HD3 4.500 . 5.000 4.595 3.529 5.005 0.005 19 0 "[ . 1 . 2]" 1
1836 2 56 LYS H 2 56 LYS HG2 4.500 . 5.000 3.665 2.311 4.463 . 0 0 "[ . 1 . 2]" 1
1837 2 56 LYS H 2 56 LYS HG3 4.500 . 5.000 3.716 2.102 4.469 . 0 0 "[ . 1 . 2]" 1
1838 2 54 VAL HA 2 57 VAL H 3.800 . 4.300 3.566 3.312 3.809 . 0 0 "[ . 1 . 2]" 1
1839 2 55 ASP HA 2 57 VAL H 4.500 . 5.000 4.127 3.950 4.383 . 0 0 "[ . 1 . 2]" 1
1840 2 57 VAL H 2 58 MET HG2 4.500 . 5.000 4.239 3.951 4.494 . 0 0 "[ . 1 . 2]" 1
1841 2 57 VAL H 2 57 VAL HB 3.800 . 4.300 2.608 2.373 3.630 . 0 0 "[ . 1 . 2]" 1
1842 2 56 LYS HD2 2 57 VAL H 5.200 . 5.700 5.360 4.801 5.703 0.003 19 0 "[ . 1 . 2]" 1
1843 2 56 LYS HD3 2 57 VAL H 5.200 . 5.700 5.036 4.269 5.708 0.008 17 0 "[ . 1 . 2]" 1
1844 2 56 LYS HG3 2 57 VAL H 4.500 . 5.000 4.116 2.642 4.831 . 0 0 "[ . 1 . 2]" 1
1845 2 56 LYS HG2 2 57 VAL H 4.500 . 5.000 3.645 1.899 5.005 0.005 8 0 "[ . 1 . 2]" 1
1846 2 57 VAL H 2 57 VAL MG1 4.500 . 5.000 3.518 2.178 3.766 . 0 0 "[ . 1 . 2]" 1
1847 2 57 VAL H 2 57 VAL MG2 4.500 . 5.000 2.254 1.807 2.446 . 0 0 "[ . 1 . 2]" 1
1848 2 55 ASP HA 2 58 MET H 3.800 . 4.300 3.230 3.032 3.693 . 0 0 "[ . 1 . 2]" 1
1849 2 58 MET H 2 58 MET HG2 3.800 . 4.300 2.279 1.861 2.577 . 0 0 "[ . 1 . 2]" 1
1850 2 57 VAL HB 2 58 MET H 3.800 . 4.300 2.814 2.224 3.935 . 0 0 "[ . 1 . 2]" 1
1851 2 57 VAL MG1 2 58 MET H 3.800 . 4.300 3.465 2.730 3.903 . 0 0 "[ . 1 . 2]" 1
1852 2 57 VAL MG2 2 58 MET H 3.800 . 4.300 3.603 2.054 3.965 . 0 0 "[ . 1 . 2]" 1
1853 2 58 MET H 2 58 MET ME 3.800 . 4.300 3.905 3.685 4.114 . 0 0 "[ . 1 . 2]" 1
1854 2 59 LYS H 2 60 GLU HB3 4.500 . 5.000 4.880 4.682 5.011 0.011 2 0 "[ . 1 . 2]" 1
1855 2 56 LYS HA 2 59 LYS H 4.500 . 5.000 3.890 3.450 4.053 . 0 0 "[ . 1 . 2]" 1
1856 2 55 ASP HA 2 59 LYS H 4.500 . 5.000 3.652 3.379 4.071 . 0 0 "[ . 1 . 2]" 1
1857 2 58 MET HG2 2 59 LYS H 4.500 . 5.000 4.355 4.050 4.505 . 0 0 "[ . 1 . 2]" 1
1858 2 59 LYS H 2 59 LYS HB3 2.800 . 3.300 2.472 2.365 2.698 . 0 0 "[ . 1 . 2]" 1
1859 2 59 LYS H 2 59 LYS HG3 3.800 . 4.300 2.450 2.086 4.443 0.143 2 0 "[ . 1 . 2]" 1
1860 2 59 LYS H 2 59 LYS HG2 3.800 . 4.300 3.225 3.063 4.270 . 0 0 "[ . 1 . 2]" 1
1861 2 57 VAL HA 2 59 LYS H 4.500 . 5.000 4.540 4.162 4.744 . 0 0 "[ . 1 . 2]" 1
1862 2 59 LYS H 2 59 LYS HD2 4.500 . 5.000 4.422 4.217 4.643 . 0 0 "[ . 1 . 2]" 1
1863 2 59 LYS H 2 60 GLU HB2 5.200 . 5.700 4.773 4.651 5.221 . 0 0 "[ . 1 . 2]" 1
1864 2 57 VAL HA 2 61 LEU H 4.500 . 5.000 4.565 4.170 5.013 0.013 2 0 "[ . 1 . 2]" 1
1865 2 61 LEU H 2 61 LEU HB3 3.800 . 4.300 3.595 3.576 3.608 . 0 0 "[ . 1 . 2]" 1
1866 2 60 GLU HB3 2 61 LEU H 3.800 . 4.300 2.531 2.322 2.658 . 0 0 "[ . 1 . 2]" 1
1867 2 61 LEU H 2 61 LEU HG 3.800 . 4.300 1.945 1.794 2.115 0.006 5 0 "[ . 1 . 2]" 1
1868 2 61 LEU H 2 61 LEU MD2 3.800 . 4.300 3.026 2.553 3.582 . 0 0 "[ . 1 . 2]" 1
1869 2 61 LEU H 2 61 LEU MD1 3.800 . 4.300 3.464 3.113 3.579 . 0 0 "[ . 1 . 2]" 1
1870 2 61 LEU H 2 61 LEU HB2 3.800 . 4.300 2.609 2.523 2.741 . 0 0 "[ . 1 . 2]" 1
1871 2 62 ASP H 2 63 GLU HB2 4.500 . 5.000 4.825 4.689 4.941 . 0 0 "[ . 1 . 2]" 1
1872 2 61 LEU HG 2 62 ASP H 4.500 . 5.000 4.049 3.797 4.230 . 0 0 "[ . 1 . 2]" 1
1873 2 61 LEU MD2 2 62 ASP H 4.500 . 5.000 4.543 4.302 4.836 . 0 0 "[ . 1 . 2]" 1
1874 2 61 LEU MD1 2 62 ASP H 4.500 . 5.000 4.591 4.383 4.746 . 0 0 "[ . 1 . 2]" 1
1875 2 59 LYS HA 2 62 ASP H 3.800 . 4.300 3.182 3.040 3.516 . 0 0 "[ . 1 . 2]" 1
1876 2 59 LYS HD2 2 62 ASP H 5.200 . 5.700 5.094 4.868 5.246 . 0 0 "[ . 1 . 2]" 1
1877 2 60 GLU HB3 2 62 ASP H 5.200 . 5.700 4.806 4.624 4.927 . 0 0 "[ . 1 . 2]" 1
1878 2 62 ASP HB2 2 63 GLU H 4.500 . 5.000 3.762 3.656 3.846 . 0 0 "[ . 1 . 2]" 1
1879 2 62 ASP HB3 2 63 GLU H 4.500 . 5.000 2.608 2.403 2.739 . 0 0 "[ . 1 . 2]" 1
1880 2 63 GLU H 2 63 GLU HG2 3.800 . 4.300 3.103 1.875 3.952 . 0 0 "[ . 1 . 2]" 1
1881 2 63 GLU H 2 63 GLU HG3 3.800 . 4.300 2.639 2.016 3.808 . 0 0 "[ . 1 . 2]" 1
1882 2 63 GLU H 2 63 GLU HB2 2.800 . 3.300 2.442 2.231 2.657 . 0 0 "[ . 1 . 2]" 1
1883 2 63 GLU HG2 2 64 ASN H 4.500 . 5.000 4.587 4.098 5.002 0.002 14 0 "[ . 1 . 2]" 1
1884 2 63 GLU HG3 2 64 ASN H 4.500 . 5.000 4.365 4.081 5.006 0.006 4 0 "[ . 1 . 2]" 1
1885 2 60 GLU HA 2 64 ASN H 5.200 . 5.700 4.913 4.271 5.661 . 0 0 "[ . 1 . 2]" 1
1886 2 64 ASN H 2 64 ASN HB3 3.800 . 4.300 3.633 3.578 3.695 . 0 0 "[ . 1 . 2]" 1
1887 2 64 ASN H 2 64 ASN HB2 3.800 . 4.300 2.462 2.318 2.578 . 0 0 "[ . 1 . 2]" 1
1888 2 63 GLU HB2 2 64 ASN H 3.800 . 4.300 2.242 1.820 2.823 . 0 0 "[ . 1 . 2]" 1
1889 2 64 ASN HA 2 65 GLY H 3.800 . 4.300 2.435 2.145 3.560 . 0 0 "[ . 1 . 2]" 1
1890 2 64 ASN HA 2 66 ASP H 4.500 . 5.000 3.920 3.306 4.284 . 0 0 "[ . 1 . 2]" 1
1891 2 66 ASP H 2 66 ASP HB3 3.800 . 4.300 2.943 2.485 3.874 . 0 0 "[ . 1 . 2]" 1
1892 2 66 ASP H 2 66 ASP HB2 3.800 . 4.300 2.885 2.385 3.638 . 0 0 "[ . 1 . 2]" 1
1893 2 66 ASP HB3 2 67 GLY H 4.500 . 5.000 3.680 2.745 4.418 . 0 0 "[ . 1 . 2]" 1
1894 2 66 ASP HB2 2 67 GLY H 4.500 . 5.000 3.836 2.758 4.420 . 0 0 "[ . 1 . 2]" 1
1895 2 64 ASN HA 2 67 GLY H 4.500 . 5.000 4.554 4.082 4.976 . 0 0 "[ . 1 . 2]" 1
1896 2 67 GLY HA2 2 68 GLU H 3.800 . 4.300 2.567 2.346 2.675 . 0 0 "[ . 1 . 2]" 1
1897 2 67 GLY HA3 2 68 GLU H 3.800 . 4.300 2.590 2.485 2.841 . 0 0 "[ . 1 . 2]" 1
1898 2 68 GLU H 2 68 GLU HG3 4.500 . 5.000 3.196 2.179 3.843 . 0 0 "[ . 1 . 2]" 1
1899 2 68 GLU H 2 68 GLU HG2 4.500 . 5.000 2.738 2.150 4.393 . 0 0 "[ . 1 . 2]" 1
1900 2 68 GLU HG3 2 69 VAL H 4.500 . 5.000 4.090 3.058 4.912 . 0 0 "[ . 1 . 2]" 1
1901 2 69 VAL H 2 69 VAL QG 3.800 . 4.300 2.046 1.883 2.173 . 0 0 "[ . 1 . 2]" 1
1902 2 29 SER HA 2 69 VAL H 3.800 . 4.300 3.947 3.532 4.311 0.011 12 0 "[ . 1 . 2]" 1
1903 2 68 GLU HA 2 69 VAL H 2.800 . 3.300 2.436 2.194 2.632 . 0 0 "[ . 1 . 2]" 1
1904 2 68 GLU HG2 2 69 VAL H 4.500 . 5.000 4.427 3.743 4.891 . 0 0 "[ . 1 . 2]" 1
1905 2 70 ASP H 2 73 GLU HA 4.500 . 5.000 4.913 4.683 5.035 0.035 2 0 "[ . 1 . 2]" 1
1906 2 70 ASP H 2 70 ASP HB2 3.800 . 4.300 2.592 2.410 3.075 . 0 0 "[ . 1 . 2]" 1
1907 2 70 ASP H 2 70 ASP HB3 3.800 . 4.300 3.398 2.617 3.814 . 0 0 "[ . 1 . 2]" 1
1908 2 69 VAL HA 2 70 ASP H 2.800 . 3.300 2.450 2.271 2.723 . 0 0 "[ . 1 . 2]" 1
1909 2 70 ASP H 2 73 GLU HG3 4.500 . 5.000 2.697 1.880 3.069 . 0 0 "[ . 1 . 2]" 1
1910 2 70 ASP H 2 73 GLU HG2 4.500 . 5.000 3.837 2.831 4.207 . 0 0 "[ . 1 . 2]" 1
1911 2 69 VAL HB 2 70 ASP H 3.800 . 4.300 2.367 1.801 2.801 . 0 0 "[ . 1 . 2]" 1
1912 2 70 ASP H 2 73 GLU HB2 3.800 . 4.300 2.230 1.830 2.722 . 0 0 "[ . 1 . 2]" 1
1913 2 70 ASP H 2 73 GLU HB3 3.800 . 4.300 3.518 3.133 3.815 . 0 0 "[ . 1 . 2]" 1
1914 2 69 VAL QG 2 70 ASP H 3.800 . 4.300 3.124 2.891 3.301 . 0 0 "[ . 1 . 2]" 1
1915 2 70 ASP HA 2 71 PHE H 3.800 . 4.300 2.588 2.494 2.710 . 0 0 "[ . 1 . 2]" 1
1916 2 70 ASP HB2 2 71 PHE H 3.800 . 4.300 3.421 3.158 3.802 . 0 0 "[ . 1 . 2]" 1
1917 2 70 ASP HB3 2 71 PHE H 3.800 . 4.300 2.358 1.992 3.182 . 0 0 "[ . 1 . 2]" 1
1918 2 71 PHE H 2 71 PHE HB2 3.800 . 4.300 2.663 2.601 2.710 . 0 0 "[ . 1 . 2]" 1
1919 2 71 PHE H 2 71 PHE HB3 3.800 . 4.300 2.415 2.378 2.462 . 0 0 "[ . 1 . 2]" 1
1920 2 72 GLN H 2 72 GLN HG3 3.800 . 4.300 2.953 1.917 3.347 . 0 0 "[ . 1 . 2]" 1
1921 2 72 GLN H 2 73 GLU HB2 5.200 . 5.700 4.846 4.729 4.930 . 0 0 "[ . 1 . 2]" 1
1922 2 70 ASP HA 2 72 GLN H 5.200 . 5.700 4.782 4.584 4.986 . 0 0 "[ . 1 . 2]" 1
1923 2 70 ASP HB2 2 72 GLN H 4.500 . 5.000 3.855 3.241 4.905 . 0 0 "[ . 1 . 2]" 1
1924 2 70 ASP HB3 2 72 GLN H 4.500 . 5.000 3.169 3.014 3.366 . 0 0 "[ . 1 . 2]" 1
1925 2 71 PHE HB2 2 72 GLN H 4.500 . 5.000 3.845 3.759 3.945 . 0 0 "[ . 1 . 2]" 1
1926 2 71 PHE HB3 2 72 GLN H 3.800 . 4.300 2.435 2.296 2.590 . 0 0 "[ . 1 . 2]" 1
1927 2 72 GLN H 2 73 GLU HG3 5.200 . 5.700 4.840 4.482 5.716 0.016 4 0 "[ . 1 . 2]" 1
1928 2 72 GLN H 2 72 GLN HG2 3.800 . 4.300 1.979 1.775 3.250 0.025 18 0 "[ . 1 . 2]" 1
1929 2 72 GLN H 2 72 GLN HB3 3.800 . 4.300 2.750 2.556 3.590 . 0 0 "[ . 1 . 2]" 1
1930 2 72 GLN HB2 2 72 GLN HE21 4.500 . 5.000 2.468 1.867 4.341 . 0 0 "[ . 1 . 2]" 1
1931 2 72 GLN HB2 2 72 GLN HE22 4.500 . 5.000 3.730 3.459 4.560 . 0 0 "[ . 1 . 2]" 1
1932 2 71 PHE HB3 2 73 GLU H 5.200 . 5.700 4.953 4.729 5.272 . 0 0 "[ . 1 . 2]" 1
1933 2 73 GLU H 2 73 GLU HG3 3.800 . 4.300 2.521 2.162 3.367 . 0 0 "[ . 1 . 2]" 1
1934 2 73 GLU H 2 73 GLU HG2 3.800 . 4.300 3.196 2.037 3.602 . 0 0 "[ . 1 . 2]" 1
1935 2 72 GLN HG3 2 73 GLU H 3.800 . 4.300 2.195 1.792 4.192 0.008 4 0 "[ . 1 . 2]" 1
1936 2 69 VAL HB 2 73 GLU H 4.500 . 5.000 4.579 4.453 4.658 . 0 0 "[ . 1 . 2]" 1
1937 2 73 GLU H 2 73 GLU HB2 3.800 . 4.300 2.404 2.328 2.535 . 0 0 "[ . 1 . 2]" 1
1938 2 73 GLU H 2 73 GLU HB3 3.800 . 4.300 3.578 3.562 3.599 . 0 0 "[ . 1 . 2]" 1
1939 2 72 GLN HB2 2 73 GLU H 4.500 . 5.000 3.414 2.307 3.734 . 0 0 "[ . 1 . 2]" 1
1940 2 71 PHE HA 2 74 TYR H 3.800 . 4.300 3.459 3.295 3.688 . 0 0 "[ . 1 . 2]" 1
1941 2 74 TYR H 2 74 TYR HB3 3.800 . 4.300 2.305 2.170 2.446 . 0 0 "[ . 1 . 2]" 1
1942 2 74 TYR H 2 74 TYR HB2 3.800 . 4.300 2.788 2.626 2.955 . 0 0 "[ . 1 . 2]" 1
1943 2 69 VAL HB 2 74 TYR H 4.500 . 5.000 4.183 3.754 4.447 . 0 0 "[ . 1 . 2]" 1
1944 2 73 GLU HB3 2 74 TYR H 4.500 . 5.000 3.579 3.467 3.695 . 0 0 "[ . 1 . 2]" 1
1945 2 73 GLU HG3 2 74 TYR H 4.500 . 5.000 4.511 4.334 4.838 . 0 0 "[ . 1 . 2]" 1
1946 2 73 GLU HB2 2 74 TYR H 3.800 . 4.300 2.684 2.483 2.844 . 0 0 "[ . 1 . 2]" 1
1947 2 72 GLN HA 2 75 VAL H 3.800 . 4.300 3.327 3.164 3.445 . 0 0 "[ . 1 . 2]" 1
1948 2 74 TYR HB3 2 75 VAL H 4.500 . 5.000 2.977 2.716 3.110 . 0 0 "[ . 1 . 2]" 1
1949 2 74 TYR HB2 2 75 VAL H 4.500 . 5.000 4.176 3.998 4.271 . 0 0 "[ . 1 . 2]" 1
1950 2 75 VAL H 2 75 VAL HB 3.800 . 4.300 2.329 2.310 2.346 . 0 0 "[ . 1 . 2]" 1
1951 2 75 VAL H 2 75 VAL MG2 4.500 . 5.000 2.484 2.408 2.533 . 0 0 "[ . 1 . 2]" 1
1952 2 75 VAL H 2 78 VAL MG2 4.500 . 5.000 4.062 4.023 4.144 . 0 0 "[ . 1 . 2]" 1
1953 2 75 VAL H 2 75 VAL MG1 4.500 . 5.000 3.712 3.704 3.720 . 0 0 "[ . 1 . 2]" 1
1954 2 73 GLU HA 2 75 VAL H 4.500 . 5.000 4.046 3.918 4.283 . 0 0 "[ . 1 . 2]" 1
1955 2 75 VAL H 2 78 VAL MG1 4.500 . 5.000 4.949 4.809 5.014 0.014 3 0 "[ . 1 . 2]" 1
1956 2 75 VAL H 2 76 VAL HB 5.200 . 5.700 4.730 4.489 4.869 . 0 0 "[ . 1 . 2]" 1
1957 2 76 VAL H 2 77 LEU HG 4.500 . 5.000 3.991 3.851 4.326 . 0 0 "[ . 1 . 2]" 1
1958 2 77 LEU H 2 79 ALA MB 5.200 . 5.700 4.756 4.639 4.839 . 0 0 "[ . 1 . 2]" 1
1959 2 90 TRP HA 2 91 GLU H 3.800 . 4.300 2.682 2.144 3.557 . 0 0 "[ . 1 . 2]" 1
1960 2 77 LEU H 2 77 LEU MD1 4.500 . 5.000 3.443 3.091 3.646 . 0 0 "[ . 1 . 2]" 1
1961 2 74 TYR HA 2 77 LEU H 4.500 . 5.000 3.641 3.494 3.775 . 0 0 "[ . 1 . 2]" 1
1962 2 77 LEU H 2 77 LEU HB2 3.800 . 4.300 2.583 2.440 2.727 . 0 0 "[ . 1 . 2]" 1
1963 2 77 LEU H 2 77 LEU HB3 3.800 . 4.300 3.587 3.573 3.609 . 0 0 "[ . 1 . 2]" 1
1964 2 76 VAL HB 2 77 LEU H 3.800 . 4.300 2.551 2.330 3.845 . 0 0 "[ . 1 . 2]" 1
1965 2 90 TRP HB3 2 91 GLU H 3.800 . 4.300 3.255 1.936 4.302 0.002 1 0 "[ . 1 . 2]" 1
1966 2 90 TRP HB2 2 91 GLU H 4.500 . 5.000 3.627 1.865 4.537 . 0 0 "[ . 1 . 2]" 1
1967 2 77 LEU H 2 77 LEU HG 3.800 . 4.300 1.955 1.795 2.259 0.005 5 0 "[ . 1 . 2]" 1
1968 2 77 LEU H 2 77 LEU MD2 4.500 . 5.000 3.080 2.447 3.682 . 0 0 "[ . 1 . 2]" 1
1969 2 76 VAL MG1 2 77 LEU H 4.500 . 5.000 3.362 2.088 3.586 . 0 0 "[ . 1 . 2]" 1
1970 2 76 VAL MG2 2 77 LEU H 4.500 . 5.000 3.768 3.619 4.090 . 0 0 "[ . 1 . 2]" 1
1971 2 77 LEU H 2 80 ALA MB 4.500 . 5.000 4.752 4.555 4.931 . 0 0 "[ . 1 . 2]" 1
1972 2 74 TYR HA 2 78 VAL H 4.500 . 5.000 4.226 4.148 4.326 . 0 0 "[ . 1 . 2]" 1
1973 2 77 LEU HB3 2 78 VAL H 4.500 . 5.000 3.393 3.268 3.493 . 0 0 "[ . 1 . 2]" 1
1974 2 77 LEU HG 2 78 VAL H 4.500 . 5.000 4.038 3.830 4.280 . 0 0 "[ . 1 . 2]" 1
1975 2 78 VAL H 2 78 VAL MG2 3.800 . 4.300 1.947 1.847 2.028 . 0 0 "[ . 1 . 2]" 1
1976 2 78 VAL H 2 80 ALA MB 4.500 . 5.000 4.873 4.768 5.004 0.004 4 0 "[ . 1 . 2]" 1
1977 2 75 VAL HA 2 78 VAL H 4.500 . 5.000 3.930 3.746 4.044 . 0 0 "[ . 1 . 2]" 1
1978 2 77 LEU HB2 2 78 VAL H 3.800 . 4.300 2.223 2.143 2.327 . 0 0 "[ . 1 . 2]" 1
1979 2 78 VAL H 2 78 VAL HB 3.800 . 4.300 3.603 3.594 3.607 . 0 0 "[ . 1 . 2]" 1
1980 2 78 VAL H 2 78 VAL MG1 3.800 . 4.300 2.070 1.962 2.213 . 0 0 "[ . 1 . 2]" 1
1981 2 76 VAL HA 2 79 ALA H 4.500 . 5.000 3.742 3.659 3.891 . 0 0 "[ . 1 . 2]" 1
1982 2 75 VAL HA 2 79 ALA H 4.500 . 5.000 4.491 4.307 4.761 . 0 0 "[ . 1 . 2]" 1
1983 2 77 LEU HA 2 79 ALA H 4.500 . 5.000 4.069 3.760 4.300 . 0 0 "[ . 1 . 2]" 1
1984 2 78 VAL HB 2 79 ALA H 3.800 . 4.300 3.711 3.559 3.902 . 0 0 "[ . 1 . 2]" 1
1985 2 79 ALA H 2 79 ALA MB 2.800 . 3.300 2.176 2.136 2.249 . 0 0 "[ . 1 . 2]" 1
1986 2 77 LEU HA 2 80 ALA H 3.800 . 4.300 3.174 2.984 3.315 . 0 0 "[ . 1 . 2]" 1
1987 2 80 ALA H 2 81 LEU HB2 5.200 . 5.700 4.731 4.572 4.970 . 0 0 "[ . 1 . 2]" 1
1988 2 80 ALA H 2 80 ALA MB 2.800 . 3.300 2.209 2.144 2.244 . 0 0 "[ . 1 . 2]" 1
1989 2 78 VAL HA 2 81 LEU H 4.500 . 5.000 3.743 3.467 3.954 . 0 0 "[ . 1 . 2]" 1
1990 2 81 LEU H 2 81 LEU HB2 3.800 . 4.300 2.296 2.255 2.570 . 0 0 "[ . 1 . 2]" 1
1991 2 81 LEU H 2 81 LEU HB3 3.800 . 4.300 3.551 3.541 3.593 . 0 0 "[ . 1 . 2]" 1
1992 2 81 LEU H 2 81 LEU HG 3.800 . 4.300 3.639 1.987 3.872 . 0 0 "[ . 1 . 2]" 1
1993 2 81 LEU H 2 81 LEU MD2 4.500 . 5.000 3.518 1.794 3.839 0.006 18 0 "[ . 1 . 2]" 1
1994 2 81 LEU H 2 81 LEU MD1 4.500 . 5.000 2.152 1.802 3.760 . 0 0 "[ . 1 . 2]" 1
1995 2 57 VAL MG2 2 81 LEU H 5.200 . 5.700 4.795 4.372 5.131 . 0 0 "[ . 1 . 2]" 1
1996 2 80 ALA MB 2 81 LEU H 3.800 . 4.300 2.363 2.229 2.509 . 0 0 "[ . 1 . 2]" 1
1997 2 81 LEU H 2 82 THR HB 4.500 . 5.000 4.860 4.706 4.982 . 0 0 "[ . 1 . 2]" 1
1998 2 57 VAL MG1 2 81 LEU H 5.200 . 5.700 5.218 4.653 5.649 . 0 0 "[ . 1 . 2]" 1
1999 2 77 LEU HA 2 81 LEU H 4.500 . 5.000 4.236 4.093 4.423 . 0 0 "[ . 1 . 2]" 1
2000 2 82 THR H 2 82 THR MG 4.500 . 5.000 3.743 3.733 3.747 . 0 0 "[ . 1 . 2]" 1
2001 2 79 ALA MB 2 82 THR H 4.500 . 5.000 4.599 4.474 4.728 . 0 0 "[ . 1 . 2]" 1
2002 2 82 THR H 2 82 THR HB 3.800 . 4.300 2.583 2.501 2.666 . 0 0 "[ . 1 . 2]" 1
2003 2 78 VAL HA 2 82 THR H 4.500 . 5.000 4.174 3.941 4.438 . 0 0 "[ . 1 . 2]" 1
2004 2 79 ALA HA 2 82 THR H 3.800 . 4.300 3.455 3.283 3.645 . 0 0 "[ . 1 . 2]" 1
2005 2 81 LEU HB2 2 82 THR H 3.800 . 4.300 2.789 2.685 2.866 . 0 0 "[ . 1 . 2]" 1
2006 2 81 LEU HB3 2 82 THR H 4.500 . 5.000 3.538 3.415 3.833 . 0 0 "[ . 1 . 2]" 1
2007 2 82 THR HB 2 83 VAL H 3.800 . 4.300 2.567 2.508 2.647 . 0 0 "[ . 1 . 2]" 1
2008 2 79 ALA HA 2 83 VAL H 4.500 . 5.000 4.252 3.857 4.561 . 0 0 "[ . 1 . 2]" 1
2009 2 83 VAL H 2 83 VAL MG2 4.500 . 5.000 2.108 1.978 2.262 . 0 0 "[ . 1 . 2]" 1
2010 2 53 ALA MB 2 84 ALA H 4.500 . 5.000 4.799 4.384 5.000 0.000 18 0 "[ . 1 . 2]" 1
2011 2 80 ALA MB 2 84 ALA H 5.200 . 5.700 4.951 4.738 5.233 . 0 0 "[ . 1 . 2]" 1
2012 2 81 LEU HA 2 84 ALA H 4.500 . 5.000 3.306 3.131 3.476 . 0 0 "[ . 1 . 2]" 1
2013 2 80 ALA HA 2 84 ALA H 4.500 . 5.000 4.634 4.175 4.862 . 0 0 "[ . 1 . 2]" 1
2014 2 83 VAL HB 2 84 ALA H 4.500 . 5.000 2.579 2.467 2.690 . 0 0 "[ . 1 . 2]" 1
2015 2 83 VAL MG1 2 84 ALA H 4.500 . 5.000 3.423 3.223 3.600 . 0 0 "[ . 1 . 2]" 1
2016 2 84 ALA H 2 84 ALA MB 2.800 . 3.300 2.206 2.153 2.238 . 0 0 "[ . 1 . 2]" 1
2017 2 83 VAL MG2 2 84 ALA H 4.500 . 5.000 3.831 3.782 3.901 . 0 0 "[ . 1 . 2]" 1
2018 2 83 VAL HA 2 85 CYS H 4.500 . 5.000 4.327 3.994 4.544 . 0 0 "[ . 1 . 2]" 1
2019 2 81 LEU HA 2 85 CYS H 4.500 . 5.000 4.147 3.898 4.669 . 0 0 "[ . 1 . 2]" 1
2020 2 48 GLN HA 2 85 CYS H 4.500 . 5.000 4.883 4.587 5.013 0.013 19 0 "[ . 1 . 2]" 1
2021 2 85 CYS H 2 85 CYS HB3 3.800 . 4.300 3.191 2.362 3.642 . 0 0 "[ . 1 . 2]" 1
2022 2 85 CYS H 2 85 CYS HB2 3.800 . 4.300 2.538 2.369 2.774 . 0 0 "[ . 1 . 2]" 1
2023 2 84 ALA MB 2 85 CYS H 3.800 . 4.300 2.589 2.436 2.840 . 0 0 "[ . 1 . 2]" 1
2024 2 85 CYS H 2 86 ASN HB2 4.500 . 5.000 4.669 4.367 4.988 . 0 0 "[ . 1 . 2]" 1
2025 2 82 THR HA 2 86 ASN H 4.500 . 5.000 3.965 3.583 4.460 . 0 0 "[ . 1 . 2]" 1
2026 2 86 ASN H 2 86 ASN HB3 3.800 . 4.300 3.365 2.523 3.647 . 0 0 "[ . 1 . 2]" 1
2027 2 86 ASN H 2 86 ASN HB2 3.800 . 4.300 2.398 2.278 2.611 . 0 0 "[ . 1 . 2]" 1
2028 2 82 THR MG 2 86 ASN H 4.500 . 5.000 3.943 3.631 4.326 . 0 0 "[ . 1 . 2]" 1
2029 2 8 MET HB2 2 9 GLU H 4.500 . 5.000 2.713 2.603 2.804 . 0 0 "[ . 1 . 2]" 1
2030 2 6 THR MG 2 9 GLU H 4.500 . 5.000 4.583 4.440 4.744 . 0 0 "[ . 1 . 2]" 1
2031 2 86 ASN HB3 2 89 PHE H 4.500 . 5.000 3.727 3.083 4.848 . 0 0 "[ . 1 . 2]" 1
2032 2 87 ASN HA 2 89 PHE H 4.500 . 5.000 4.035 3.054 4.496 . 0 0 "[ . 1 . 2]" 1
2033 2 88 PHE HB2 2 89 PHE H 4.500 . 5.000 3.194 2.488 3.950 . 0 0 "[ . 1 . 2]" 1
2034 2 88 PHE HB3 2 89 PHE H 4.500 . 5.000 3.117 1.924 4.222 . 0 0 "[ . 1 . 2]" 1
2035 2 89 PHE H 2 89 PHE HB2 3.800 . 4.300 2.537 2.313 2.823 . 0 0 "[ . 1 . 2]" 1
2036 2 89 PHE H 2 90 TRP HB2 5.200 . 5.700 4.689 4.045 4.948 . 0 0 "[ . 1 . 2]" 1
2037 2 89 PHE HB2 2 90 TRP H 4.500 . 5.000 2.963 2.541 3.655 . 0 0 "[ . 1 . 2]" 1
2038 2 87 ASN HA 2 90 TRP H 3.800 . 4.300 3.425 3.072 4.065 . 0 0 "[ . 1 . 2]" 1
2039 2 90 TRP H 2 90 TRP HB2 3.800 . 4.300 2.376 2.272 2.505 . 0 0 "[ . 1 . 2]" 1
2040 2 84 ALA HA 2 90 TRP HE1 3.800 . 4.300 3.089 2.509 3.567 . 0 0 "[ . 1 . 2]" 1
2041 2 84 ALA MB 2 90 TRP HE1 4.500 . 5.000 4.586 4.130 5.008 0.008 19 0 "[ . 1 . 2]" 1
2042 2 91 GLU HA 2 93 SER H 4.500 . 5.000 3.996 2.926 4.994 . 0 0 "[ . 1 . 2]" 1
2043 2 92 ASN HA 2 93 SER H 3.800 . 4.300 3.245 2.353 3.546 . 0 0 "[ . 1 . 2]" 1
2044 2 19 SER HA 2 28 LEU MD1 4.500 . 5.000 4.123 2.831 5.013 0.013 15 0 "[ . 1 . 2]" 1
2045 2 28 LEU MD2 2 32 GLN HB2 4.500 . 5.000 3.086 2.079 4.643 . 0 0 "[ . 1 . 2]" 1
2046 2 3 GLU HB3 2 6 THR MG 4.500 . 5.000 4.676 4.213 5.002 0.002 19 0 "[ . 1 . 2]" 1
2047 2 21 LYS HA 2 21 LYS HD2 5.200 . 5.700 4.185 2.289 4.748 . 0 0 "[ . 1 . 2]" 1
2048 2 21 LYS HA 2 21 LYS HD3 5.200 . 5.700 4.208 2.284 4.789 . 0 0 "[ . 1 . 2]" 1
2049 2 4 LEU HA 2 4 LEU MD1 4.500 . 5.000 3.030 2.047 3.741 . 0 0 "[ . 1 . 2]" 1
2050 2 80 ALA MB 2 81 LEU HA 4.500 . 5.000 3.777 3.707 3.827 . 0 0 "[ . 1 . 2]" 1
2051 2 4 LEU HA 2 4 LEU MD2 4.500 . 5.000 3.046 2.225 3.829 . 0 0 "[ . 1 . 2]" 1
2052 2 45 LEU MD2 2 58 MET ME 3.800 . 4.300 2.884 2.354 3.502 . 0 0 "[ . 1 . 2]" 1
2053 2 37 LEU MD2 2 77 LEU MD2 4.500 . 5.000 3.778 3.091 4.273 . 0 0 "[ . 1 . 2]" 1
2054 2 61 LEU HA 2 61 LEU MD2 4.500 . 5.000 2.131 2.068 2.237 . 0 0 "[ . 1 . 2]" 1
2055 2 42 SER HA 2 45 LEU MD2 4.500 . 5.000 4.501 3.007 5.000 0.000 5 0 "[ . 1 . 2]" 1
2056 2 60 GLU HA 2 63 GLU HB2 4.500 . 5.000 3.600 3.145 4.139 . 0 0 "[ . 1 . 2]" 1
2057 2 59 LYS HD2 2 62 ASP HB3 5.200 . 5.700 4.626 4.338 5.009 . 0 0 "[ . 1 . 2]" 1
2058 2 53 ALA HA 2 56 LYS HD2 4.500 . 5.000 3.673 2.593 4.460 . 0 0 "[ . 1 . 2]" 1
2059 2 53 ALA HA 2 56 LYS HD3 4.500 . 5.000 3.513 2.317 4.495 . 0 0 "[ . 1 . 2]" 1
2060 2 59 LYS HA 2 59 LYS HD2 4.500 . 5.000 3.808 3.560 4.033 . 0 0 "[ . 1 . 2]" 1
2061 2 56 LYS HA 2 59 LYS HD3 4.500 . 5.000 4.358 4.060 5.049 0.049 2 0 "[ . 1 . 2]" 1
2062 2 31 LYS HA 2 34 LYS HD2 4.500 . 5.000 4.281 2.487 5.015 0.015 2 0 "[ . 1 . 2]" 1
2063 2 31 LYS HA 2 34 LYS HD3 4.500 . 5.000 4.295 2.437 5.007 0.007 14 0 "[ . 1 . 2]" 1
2064 2 6 THR HA 2 9 GLU HG2 4.500 . 5.000 4.204 3.142 4.974 . 0 0 "[ . 1 . 2]" 1
2065 2 3 GLU HA 2 6 THR HB 3.800 . 4.300 2.845 2.331 3.335 . 0 0 "[ . 1 . 2]" 1
2066 2 6 THR HB 2 7 ALA MB 4.500 . 5.000 3.977 3.775 4.061 . 0 0 "[ . 1 . 2]" 1
2067 2 6 THR MG 2 9 GLU HB3 5.200 . 5.700 4.677 4.296 5.220 . 0 0 "[ . 1 . 2]" 1
2068 2 6 THR MG 2 7 ALA HA 4.500 . 5.000 3.754 3.597 3.876 . 0 0 "[ . 1 . 2]" 1
2069 2 6 THR MG 2 7 ALA MB 4.500 . 5.000 4.404 4.239 4.527 . 0 0 "[ . 1 . 2]" 1
2070 2 7 ALA MB 2 8 MET ME 5.200 . 5.700 4.329 3.706 4.856 . 0 0 "[ . 1 . 2]" 1
2071 2 8 MET HA 2 8 MET ME 3.800 . 4.300 2.497 2.228 2.950 . 0 0 "[ . 1 . 2]" 1
2072 2 8 MET HA 2 11 LEU HG 4.500 . 5.000 4.081 3.826 4.415 . 0 0 "[ . 1 . 2]" 1
2073 2 8 MET HA 2 12 ILE HG13 5.200 . 5.700 4.247 3.815 4.511 . 0 0 "[ . 1 . 2]" 1
2074 2 8 MET HB2 2 8 MET ME 4.500 . 5.000 3.664 3.338 4.223 . 0 0 "[ . 1 . 2]" 1
2075 2 6 THR HA 2 9 GLU HB3 4.500 . 5.000 4.427 4.179 4.908 . 0 0 "[ . 1 . 2]" 1
2076 2 8 MET ME 2 8 MET HG2 3.800 . 4.300 2.821 2.153 3.345 . 0 0 "[ . 1 . 2]" 1
2077 2 57 VAL HA 2 60 GLU HB3 4.500 . 5.000 2.814 2.414 4.090 . 0 0 "[ . 1 . 2]" 1
2078 2 8 MET HB3 2 8 MET ME 4.500 . 5.000 2.656 2.032 3.902 . 0 0 "[ . 1 . 2]" 1
2079 2 6 THR HA 2 9 GLU HB2 3.800 . 4.300 2.923 2.665 3.506 . 0 0 "[ . 1 . 2]" 1
2080 2 6 THR MG 2 9 GLU HB2 4.500 . 5.000 3.511 3.192 3.897 . 0 0 "[ . 1 . 2]" 1
2081 2 6 THR HA 2 9 GLU HG3 4.500 . 5.000 3.233 2.766 3.753 . 0 0 "[ . 1 . 2]" 1
2082 2 10 THR HA 2 13 ASN HB2 4.500 . 5.000 3.015 2.581 4.946 . 0 0 "[ . 1 . 2]" 1
2083 2 79 ALA HA 2 82 THR HB 3.800 . 4.300 2.603 2.289 2.895 . 0 0 "[ . 1 . 2]" 1
2084 2 7 ALA HA 2 10 THR HB 4.500 . 5.000 3.187 2.595 3.501 . 0 0 "[ . 1 . 2]" 1
2085 2 10 THR MG 2 11 LEU QD 4.500 . 5.000 3.894 3.748 4.048 . 0 0 "[ . 1 . 2]" 1
2086 2 9 GLU HA 2 12 ILE HB 4.500 . 5.000 2.878 2.679 3.252 . 0 0 "[ . 1 . 2]" 1
2087 2 11 LEU HA 2 11 LEU HG 3.800 . 4.300 2.546 2.455 2.609 . 0 0 "[ . 1 . 2]" 1
2088 2 9 GLU HA 2 12 ILE MD 4.500 . 5.000 2.581 2.275 4.854 . 0 0 "[ . 1 . 2]" 1
2089 2 8 MET ME 2 11 LEU HB2 4.500 . 5.000 3.567 3.187 3.962 . 0 0 "[ . 1 . 2]" 1
2090 2 41 LEU HB2 2 45 LEU MD2 4.500 . 5.000 4.254 2.332 4.919 . 0 0 "[ . 1 . 2]" 1
2091 2 41 LEU HB2 2 45 LEU MD1 4.500 . 5.000 3.162 2.119 4.711 . 0 0 "[ . 1 . 2]" 1
2092 2 8 MET ME 2 11 LEU HB3 4.500 . 5.000 4.417 4.002 4.723 . 0 0 "[ . 1 . 2]" 1
2093 2 11 LEU QD 2 78 VAL MG1 5.200 . 5.700 3.028 2.785 3.378 . 0 0 "[ . 1 . 2]" 1
2094 2 11 LEU QD 2 75 VAL MG2 3.800 . 4.300 2.390 2.181 2.564 . 0 0 "[ . 1 . 2]" 1
2095 2 33 LEU QD 2 77 LEU MD2 5.200 . 5.700 3.789 3.492 4.300 . 0 0 "[ . 1 . 2]" 1
2096 2 41 LEU MD1 2 81 LEU MD1 5.200 . 5.700 3.850 2.842 5.369 . 0 0 "[ . 1 . 2]" 1
2097 2 57 VAL MG1 2 81 LEU MD1 4.500 . 5.000 2.879 2.161 4.189 . 0 0 "[ . 1 . 2]" 1
2098 2 37 LEU MD1 2 81 LEU MD1 4.500 . 5.000 3.674 2.937 4.884 . 0 0 "[ . 1 . 2]" 1
2099 2 54 VAL MG2 2 81 LEU MD1 4.500 . 5.000 3.416 2.096 4.560 . 0 0 "[ . 1 . 2]" 1
2100 2 11 LEU QD 2 78 VAL MG2 5.200 . 5.700 2.561 2.356 2.815 . 0 0 "[ . 1 . 2]" 1
2101 2 45 LEU MD1 2 58 MET ME 3.800 . 4.300 3.160 2.570 3.930 . 0 0 "[ . 1 . 2]" 1
2102 2 9 GLU HA 2 12 ILE HG13 4.500 . 5.000 3.697 3.281 4.049 . 0 0 "[ . 1 . 2]" 1
2103 2 8 MET ME 2 11 LEU HG 4.500 . 5.000 4.884 4.620 5.023 0.023 11 0 "[ . 1 . 2]" 1
2104 2 8 MET ME 2 12 ILE HG13 5.200 . 5.700 4.500 3.927 5.671 . 0 0 "[ . 1 . 2]" 1
2105 2 12 ILE HA 2 12 ILE MD 4.500 . 5.000 3.745 2.226 3.849 . 0 0 "[ . 1 . 2]" 1
2106 2 9 GLU HA 2 12 ILE MG 4.500 . 5.000 4.229 4.047 4.576 . 0 0 "[ . 1 . 2]" 1
2107 2 12 ILE MD 2 12 ILE MG 3.800 . 4.300 1.870 1.798 1.996 0.002 2 0 "[ . 1 . 2]" 1
2108 2 10 THR HA 2 13 ASN HB3 4.500 . 5.000 3.376 2.666 4.399 . 0 0 "[ . 1 . 2]" 1
2109 2 14 VAL HA 2 17 ALA MB 3.800 . 4.300 2.595 2.191 2.963 . 0 0 "[ . 1 . 2]" 1
2110 2 73 GLU HA 2 76 VAL HB 4.500 . 5.000 3.047 2.286 3.449 . 0 0 "[ . 1 . 2]" 1
2111 2 14 VAL MG1 2 17 ALA MB 4.500 . 5.000 3.405 2.928 4.594 . 0 0 "[ . 1 . 2]" 1
2112 2 68 GLU HA 2 69 VAL QG 4.500 . 5.000 3.073 2.962 3.242 . 0 0 "[ . 1 . 2]" 1
2113 2 8 MET ME 2 8 MET HG3 3.800 . 4.300 2.664 2.286 3.296 . 0 0 "[ . 1 . 2]" 1
2114 2 14 VAL MG2 2 17 ALA MB 4.500 . 5.000 4.040 3.491 4.552 . 0 0 "[ . 1 . 2]" 1
2115 2 18 HIS HA 2 21 LYS HD2 5.200 . 5.700 4.685 2.753 5.707 0.007 9 0 "[ . 1 . 2]" 1
2116 2 18 HIS HA 2 21 LYS HD3 5.200 . 5.700 4.501 2.425 5.686 . 0 0 "[ . 1 . 2]" 1
2117 2 17 ALA MB 2 18 HIS HA 4.500 . 5.000 3.862 3.791 3.927 . 0 0 "[ . 1 . 2]" 1
2118 2 18 HIS HB3 2 28 LEU MD1 4.500 . 5.000 3.881 3.101 4.961 . 0 0 "[ . 1 . 2]" 1
2119 2 18 HIS HB2 2 28 LEU MD1 4.500 . 5.000 4.111 3.112 5.016 0.016 12 0 "[ . 1 . 2]" 1
2120 2 3 GLU HA 2 6 THR MG 4.500 . 5.000 4.044 3.620 4.446 . 0 0 "[ . 1 . 2]" 1
2121 2 81 LEU HA 2 81 LEU MD2 4.500 . 5.000 3.487 2.062 3.751 . 0 0 "[ . 1 . 2]" 1
2122 2 81 LEU HA 2 84 ALA MB 3.800 . 4.300 2.595 2.251 2.873 . 0 0 "[ . 1 . 2]" 1
2123 2 4 LEU HA 2 7 ALA MB 3.800 . 4.300 2.849 2.595 3.298 . 0 0 "[ . 1 . 2]" 1
2124 2 59 LYS HE2 2 59 LYS HG2 3.800 . 4.300 2.949 2.355 3.570 . 0 0 "[ . 1 . 2]" 1
2125 2 59 LYS HE3 2 59 LYS HG2 3.800 . 4.300 3.509 2.322 3.914 . 0 0 "[ . 1 . 2]" 1
2126 2 18 HIS HA 2 21 LYS HE2 4.500 . 5.000 3.621 2.318 4.777 . 0 0 "[ . 1 . 2]" 1
2127 2 18 HIS HA 2 21 LYS HE3 4.500 . 5.000 3.842 2.457 5.007 0.007 7 0 "[ . 1 . 2]" 1
2128 2 59 LYS HD3 2 59 LYS HG2 2.800 . 3.300 2.391 2.320 2.519 . 0 0 "[ . 1 . 2]" 1
2129 2 51 VAL HA 2 54 VAL HB 3.800 . 4.300 2.541 2.285 2.879 . 0 0 "[ . 1 . 2]" 1
2130 2 53 ALA MB 2 84 ALA HA 4.500 . 5.000 4.250 3.150 4.968 . 0 0 "[ . 1 . 2]" 1
2131 2 50 ASP HB2 2 84 ALA HA 4.500 . 5.000 3.455 2.529 4.625 . 0 0 "[ . 1 . 2]" 1
2132 2 30 LYS HE2 2 69 VAL QG 4.500 . 5.000 2.631 2.133 4.059 . 0 0 "[ . 1 . 2]" 1
2133 2 30 LYS HE3 2 69 VAL QG 4.500 . 5.000 3.172 2.246 4.020 . 0 0 "[ . 1 . 2]" 1
2134 2 20 GLY HA3 2 25 LYS HA 4.500 . 5.000 3.782 2.308 5.013 0.013 12 0 "[ . 1 . 2]" 1
2135 2 20 GLY HA2 2 25 LYS HA 4.500 . 5.000 3.130 2.285 4.272 . 0 0 "[ . 1 . 2]" 1
2136 2 32 GLN HA 2 32 GLN HG3 3.800 . 4.300 3.319 2.946 3.739 . 0 0 "[ . 1 . 2]" 1
2137 2 81 LEU HA 2 81 LEU MD1 4.500 . 5.000 2.539 2.114 3.787 . 0 0 "[ . 1 . 2]" 1
2138 2 45 LEU HA 2 54 VAL MG1 4.500 . 5.000 4.535 3.918 4.975 . 0 0 "[ . 1 . 2]" 1
2139 2 58 MET HA 2 58 MET ME 3.800 . 4.300 3.325 2.893 4.119 . 0 0 "[ . 1 . 2]" 1
2140 2 77 LEU HA 2 80 ALA MB 3.800 . 4.300 2.577 2.372 2.808 . 0 0 "[ . 1 . 2]" 1
2141 2 8 MET ME 2 75 VAL MG2 3.800 . 4.300 2.965 2.554 3.254 . 0 0 "[ . 1 . 2]" 1
2142 2 37 LEU MD1 2 77 LEU HB2 4.500 . 5.000 2.417 2.274 2.551 . 0 0 "[ . 1 . 2]" 1
2143 2 33 LEU QD 2 37 LEU MD1 5.200 . 5.700 2.663 2.113 3.002 . 0 0 "[ . 1 . 2]" 1
2144 2 37 LEU MD1 2 81 LEU MD2 4.500 . 5.000 3.374 2.760 4.873 . 0 0 "[ . 1 . 2]" 1
2145 2 37 LEU MD1 2 77 LEU MD1 4.500 . 5.000 2.450 2.112 3.089 . 0 0 "[ . 1 . 2]" 1
2146 2 29 SER HA 2 68 GLU HA 3.800 . 4.300 2.601 2.285 3.167 . 0 0 "[ . 1 . 2]" 1
2147 2 27 LYS HA 2 27 LYS HD2 4.500 . 5.000 4.526 3.794 4.837 . 0 0 "[ . 1 . 2]" 1
2148 2 27 LYS HA 2 27 LYS HD3 4.500 . 5.000 4.467 3.954 4.849 . 0 0 "[ . 1 . 2]" 1
2149 2 28 LEU HB2 2 69 VAL QG 4.500 . 5.000 3.589 2.715 4.099 . 0 0 "[ . 1 . 2]" 1
2150 2 28 LEU HB3 2 69 VAL QG 4.500 . 5.000 2.430 2.195 3.062 . 0 0 "[ . 1 . 2]" 1
2151 2 18 HIS HB3 2 28 LEU MD2 4.500 . 5.000 3.676 2.440 4.817 . 0 0 "[ . 1 . 2]" 1
2152 2 18 HIS HB2 2 28 LEU MD2 4.500 . 5.000 4.060 2.820 5.018 0.018 3 0 "[ . 1 . 2]" 1
2153 2 28 LEU MD1 2 32 GLN HB2 4.500 . 5.000 3.460 2.236 4.900 . 0 0 "[ . 1 . 2]" 1
2154 2 28 LEU MD2 2 33 LEU QD 5.200 . 5.700 3.185 2.071 4.052 . 0 0 "[ . 1 . 2]" 1
2155 2 28 LEU MD1 2 33 LEU HA 4.500 . 5.000 3.103 2.313 3.784 . 0 0 "[ . 1 . 2]" 1
2156 2 19 SER HA 2 28 LEU MD2 4.500 . 5.000 3.672 2.255 5.019 0.019 10 0 "[ . 1 . 2]" 1
2157 2 28 LEU MD2 2 36 LEU HG 5.200 . 5.700 5.219 4.316 5.684 . 0 0 "[ . 1 . 2]" 1
2158 2 28 LEU MD1 2 69 VAL QG 4.500 . 5.000 3.314 2.726 4.216 . 0 0 "[ . 1 . 2]" 1
2159 2 29 SER HA 2 68 GLU HB2 4.500 . 5.000 3.851 3.299 5.009 0.009 4 0 "[ . 1 . 2]" 1
2160 2 29 SER HA 2 68 GLU HB3 4.500 . 5.000 3.255 2.788 3.959 . 0 0 "[ . 1 . 2]" 1
2161 2 30 LYS HA 2 33 LEU HB2 4.500 . 5.000 2.631 2.285 3.384 . 0 0 "[ . 1 . 2]" 1
2162 2 30 LYS HA 2 33 LEU HB3 4.500 . 5.000 2.523 2.294 2.966 . 0 0 "[ . 1 . 2]" 1
2163 2 42 SER HA 2 45 LEU MD1 4.500 . 5.000 2.550 2.140 4.804 . 0 0 "[ . 1 . 2]" 1
2164 2 30 LYS HA 2 69 VAL QG 4.500 . 5.000 3.019 2.508 3.537 . 0 0 "[ . 1 . 2]" 1
2165 2 30 LYS HD2 2 69 VAL QG 4.500 . 5.000 4.109 2.654 4.598 . 0 0 "[ . 1 . 2]" 1
2166 2 30 LYS HA 2 30 LYS HD2 4.500 . 5.000 4.343 2.669 4.633 . 0 0 "[ . 1 . 2]" 1
2167 2 30 LYS HA 2 30 LYS HD3 4.500 . 5.000 4.016 2.282 4.814 . 0 0 "[ . 1 . 2]" 1
2168 2 30 LYS HD3 2 69 VAL QG 4.500 . 5.000 3.726 2.170 4.405 . 0 0 "[ . 1 . 2]" 1
2169 2 31 LYS HB2 2 31 LYS HE2 5.200 . 5.700 4.468 4.111 4.826 . 0 0 "[ . 1 . 2]" 1
2170 2 31 LYS HB2 2 31 LYS HE3 5.200 . 5.700 4.443 4.050 4.793 . 0 0 "[ . 1 . 2]" 1
2171 2 59 LYS HB2 2 59 LYS HD2 3.800 . 4.300 2.505 2.284 3.586 . 0 0 "[ . 1 . 2]" 1
2172 2 3 GLU HB2 2 4 LEU HA 4.500 . 5.000 4.278 4.190 4.331 . 0 0 "[ . 1 . 2]" 1
2173 2 28 LEU MD1 2 32 GLN HB3 4.500 . 5.000 3.898 2.535 4.964 . 0 0 "[ . 1 . 2]" 1
2174 2 28 LEU MD2 2 32 GLN HB3 4.500 . 5.000 3.570 2.146 4.602 . 0 0 "[ . 1 . 2]" 1
2175 2 32 GLN HA 2 32 GLN HG2 3.800 . 4.300 2.599 2.301 3.053 . 0 0 "[ . 1 . 2]" 1
2176 2 69 VAL HB 2 73 GLU HG2 4.500 . 5.000 4.509 4.013 4.779 . 0 0 "[ . 1 . 2]" 1
2177 2 33 LEU HA 2 36 LEU QD . . 4.300 3.215 2.140 3.391 . 0 0 "[ . 1 . 2]" 1
2178 2 33 LEU HA 2 36 LEU HG 4.500 . 5.000 4.344 2.716 4.535 . 0 0 "[ . 1 . 2]" 1
2179 2 28 LEU MD2 2 33 LEU HA 4.500 . 5.000 3.584 2.550 5.025 0.025 1 0 "[ . 1 . 2]" 1
2180 2 33 LEU HB2 2 69 VAL QG 4.500 . 5.000 2.892 2.619 3.122 . 0 0 "[ . 1 . 2]" 1
2181 2 33 LEU HB3 2 69 VAL QG 4.500 . 5.000 3.689 3.497 3.865 . 0 0 "[ . 1 . 2]" 1
2182 2 33 LEU QD 2 74 TYR HA . . 4.300 3.105 2.826 3.451 . 0 0 "[ . 1 . 2]" 1
2183 2 33 LEU QD 2 61 LEU MD2 4.500 . 5.000 2.536 2.085 3.811 . 0 0 "[ . 1 . 2]" 1
2184 2 33 LEU QD 2 37 LEU MD2 5.200 . 5.700 3.692 2.780 4.276 . 0 0 "[ . 1 . 2]" 1
2185 2 28 LEU MD1 2 33 LEU QD 5.200 . 5.700 2.567 2.019 4.323 . 0 0 "[ . 1 . 2]" 1
2186 2 28 LEU MD1 2 36 LEU HG 5.200 . 5.700 4.774 4.253 5.691 . 0 0 "[ . 1 . 2]" 1
2187 2 33 LEU QD 2 77 LEU MD1 5.200 . 5.700 1.961 1.824 2.127 . 0 0 "[ . 1 . 2]" 1
2188 2 33 LEU QD 2 69 VAL QG . . 4.300 1.969 1.799 2.325 0.001 2 0 "[ . 1 . 2]" 1
2189 2 33 LEU QD 2 77 LEU HB2 4.500 . 5.000 3.865 3.254 4.181 . 0 0 "[ . 1 . 2]" 1
2190 2 33 LEU QD 2 61 LEU MD1 4.500 . 5.000 2.582 1.934 2.864 . 0 0 "[ . 1 . 2]" 1
2191 2 33 LEU HG 2 61 LEU MD2 4.500 . 5.000 4.014 3.251 4.834 . 0 0 "[ . 1 . 2]" 1
2192 2 33 LEU HG 2 61 LEU MD1 4.500 . 5.000 3.254 2.426 4.227 . 0 0 "[ . 1 . 2]" 1
2193 2 33 LEU HG 2 69 VAL QG 4.500 . 5.000 3.892 2.210 4.406 . 0 0 "[ . 1 . 2]" 1
2194 2 34 LYS HA 2 58 MET ME 4.500 . 5.000 4.085 3.112 4.681 . 0 0 "[ . 1 . 2]" 1
2195 2 31 LYS HA 2 34 LYS HB2 5.200 . 5.700 4.581 3.584 5.713 0.013 8 0 "[ . 1 . 2]" 1
2196 2 48 GLN HB3 2 54 VAL HB 5.200 . 5.700 4.925 4.108 5.696 . 0 0 "[ . 1 . 2]" 1
2197 2 53 ALA MB 2 54 VAL HB 4.500 . 5.000 4.664 4.472 4.824 . 0 0 "[ . 1 . 2]" 1
2198 2 34 LYS HB2 2 58 MET ME 5.200 . 5.700 5.130 4.052 5.700 0.000 17 0 "[ . 1 . 2]" 1
2199 2 54 VAL HB 2 58 MET ME 5.200 . 5.700 5.145 4.518 5.635 . 0 0 "[ . 1 . 2]" 1
2200 2 59 LYS HA 2 59 LYS HG3 3.800 . 4.300 3.561 3.427 3.572 . 0 0 "[ . 1 . 2]" 1
2201 2 73 GLU HA 2 73 GLU HG2 3.800 . 4.300 2.402 2.277 2.727 . 0 0 "[ . 1 . 2]" 1
2202 2 28 LEU MD2 2 36 LEU QD 4.500 . 5.000 2.802 2.205 3.278 . 0 0 "[ . 1 . 2]" 1
2203 2 28 LEU MD1 2 36 LEU QD 4.500 . 5.000 2.522 1.955 3.160 . 0 0 "[ . 1 . 2]" 1
2204 2 37 LEU HA 2 37 LEU MD2 4.500 . 5.000 3.742 3.721 3.796 . 0 0 "[ . 1 . 2]" 1
2205 2 37 LEU HA 2 37 LEU MD1 4.500 . 5.000 2.228 2.127 2.256 . 0 0 "[ . 1 . 2]" 1
2206 2 42 SER HA 2 45 LEU HB2 4.500 . 5.000 2.873 2.283 3.229 . 0 0 "[ . 1 . 2]" 1
2207 2 37 LEU HG 2 58 MET ME 4.500 . 5.000 3.988 3.422 4.407 . 0 0 "[ . 1 . 2]" 1
2208 2 37 LEU HG 2 38 GLN HA 4.500 . 5.000 4.358 3.946 4.603 . 0 0 "[ . 1 . 2]" 1
2209 2 38 GLN HA 2 58 MET ME 4.500 . 5.000 3.804 2.945 4.360 . 0 0 "[ . 1 . 2]" 1
2210 2 38 GLN HB2 2 58 MET ME 4.500 . 5.000 4.160 2.356 4.986 . 0 0 "[ . 1 . 2]" 1
2211 2 38 GLN HB3 2 58 MET ME 4.500 . 5.000 3.394 2.500 4.427 . 0 0 "[ . 1 . 2]" 1
2212 2 72 GLN HB2 2 73 GLU HA 4.500 . 5.000 4.290 4.119 4.442 . 0 0 "[ . 1 . 2]" 1
2213 2 39 THR MG 2 40 GLU HG2 4.500 . 5.000 3.124 2.575 3.819 . 0 0 "[ . 1 . 2]" 1
2214 2 39 THR MG 2 40 GLU HA 4.500 . 5.000 3.392 3.038 3.740 . 0 0 "[ . 1 . 2]" 1
2215 2 69 VAL HB 2 73 GLU HB2 3.800 . 4.300 2.284 2.273 2.312 . 0 0 "[ . 1 . 2]" 1
2216 2 69 VAL QG 2 73 GLU HB2 3.800 . 4.300 3.182 3.113 3.240 . 0 0 "[ . 1 . 2]" 1
2217 2 36 LEU QD 2 40 GLU HG3 4.500 . 5.000 2.525 2.229 2.880 . 0 0 "[ . 1 . 2]" 1
2218 2 39 THR MG 2 40 GLU HG3 5.200 . 5.700 4.329 2.245 5.336 . 0 0 "[ . 1 . 2]" 1
2219 2 41 LEU HA 2 41 LEU MD1 4.500 . 5.000 3.357 2.141 3.877 . 0 0 "[ . 1 . 2]" 1
2220 2 41 LEU HA 2 41 LEU MD2 4.500 . 5.000 2.453 2.048 3.750 . 0 0 "[ . 1 . 2]" 1
2221 2 37 LEU HG 2 77 LEU HB2 4.500 . 5.000 4.984 4.800 5.021 0.021 3 0 "[ . 1 . 2]" 1
2222 2 41 LEU MD1 2 81 LEU MD2 5.200 . 5.700 2.729 1.894 4.468 . 0 0 "[ . 1 . 2]" 1
2223 2 41 LEU MD2 2 81 LEU MD2 5.200 . 5.700 3.742 1.969 5.528 . 0 0 "[ . 1 . 2]" 1
2224 2 41 LEU MD2 2 81 LEU MD1 5.200 . 5.700 4.752 3.239 5.553 . 0 0 "[ . 1 . 2]" 1
2225 2 39 THR HA 2 42 SER HB2 4.500 . 5.000 3.727 2.505 5.006 0.006 20 0 "[ . 1 . 2]" 1
2226 2 39 THR HA 2 42 SER HB3 4.500 . 5.000 4.004 2.286 4.993 . 0 0 "[ . 1 . 2]" 1
2227 2 44 PHE HA 2 47 ALA MB 4.500 . 5.000 3.999 2.951 4.749 . 0 0 "[ . 1 . 2]" 1
2228 2 45 LEU HA 2 54 VAL MG2 4.500 . 5.000 4.646 4.233 4.973 . 0 0 "[ . 1 . 2]" 1
2229 2 45 LEU HA 2 48 GLN HG2 4.500 . 5.000 2.967 2.313 3.639 . 0 0 "[ . 1 . 2]" 1
2230 2 42 SER HA 2 45 LEU HB3 4.500 . 5.000 4.403 3.701 4.823 . 0 0 "[ . 1 . 2]" 1
2231 2 37 LEU MD2 2 77 LEU MD1 4.500 . 5.000 3.220 2.675 3.702 . 0 0 "[ . 1 . 2]" 1
2232 2 57 VAL MG1 2 77 LEU MD1 4.500 . 5.000 3.380 2.851 4.860 . 0 0 "[ . 1 . 2]" 1
2233 2 37 LEU MD2 2 77 LEU HB2 4.500 . 5.000 3.786 3.150 4.233 . 0 0 "[ . 1 . 2]" 1
2234 2 37 LEU MD2 2 81 LEU MD1 4.500 . 5.000 2.459 1.901 3.006 . 0 0 "[ . 1 . 2]" 1
2235 2 41 LEU HB2 2 45 LEU HG 4.500 . 5.000 3.937 3.079 5.022 0.022 7 0 "[ . 1 . 2]" 1
2236 2 46 ASP HB3 2 47 ALA MB 4.500 . 5.000 3.760 3.353 4.384 . 0 0 "[ . 1 . 2]" 1
2237 2 51 VAL MG1 2 55 ASP HB2 4.500 . 5.000 3.922 2.459 4.623 . 0 0 "[ . 1 . 2]" 1
2238 2 51 VAL MG2 2 55 ASP HB2 4.500 . 5.000 3.278 2.216 4.954 . 0 0 "[ . 1 . 2]" 1
2239 2 46 ASP HB2 2 47 ALA MB 4.500 . 5.000 4.290 3.520 5.011 0.011 12 0 "[ . 1 . 2]" 1
2240 2 78 VAL MG2 2 79 ALA MB 5.200 . 5.700 2.864 2.770 2.992 . 0 0 "[ . 1 . 2]" 1
2241 2 69 VAL QG 2 74 TYR HA . . 5.000 4.269 3.786 4.597 . 0 0 "[ . 1 . 2]" 1
2242 2 69 VAL QG 2 73 GLU HB3 3.800 . 4.300 2.817 2.642 2.907 . 0 0 "[ . 1 . 2]" 1
2243 2 45 LEU HA 2 48 GLN HG3 4.500 . 5.000 2.883 2.303 4.828 . 0 0 "[ . 1 . 2]" 1
2244 2 49 LYS HA 2 49 LYS HD3 4.500 . 5.000 4.182 2.284 4.744 . 0 0 "[ . 1 . 2]" 1
2245 2 49 LYS HA 2 49 LYS HD2 4.500 . 5.000 4.024 2.283 4.677 . 0 0 "[ . 1 . 2]" 1
2246 2 50 ASP HA 2 51 VAL HB 4.500 . 5.000 4.783 4.470 4.970 . 0 0 "[ . 1 . 2]" 1
2247 2 50 ASP HA 2 84 ALA MB 4.500 . 5.000 4.739 4.232 4.952 . 0 0 "[ . 1 . 2]" 1
2248 2 50 ASP HB2 2 84 ALA MB 4.500 . 5.000 3.220 2.229 4.291 . 0 0 "[ . 1 . 2]" 1
2249 2 50 ASP HB2 2 53 ALA MB 4.500 . 5.000 3.775 2.526 4.865 . 0 0 "[ . 1 . 2]" 1
2250 2 50 ASP HB3 2 84 ALA MB 4.500 . 5.000 3.268 2.270 4.415 . 0 0 "[ . 1 . 2]" 1
2251 2 51 VAL HA 2 54 VAL MG1 4.500 . 5.000 3.967 3.643 4.270 . 0 0 "[ . 1 . 2]" 1
2252 2 51 VAL HA 2 54 VAL MG2 4.500 . 5.000 2.607 2.120 3.081 . 0 0 "[ . 1 . 2]" 1
2253 2 51 VAL MG1 2 55 ASP HB3 5.200 . 5.700 4.674 3.167 5.396 . 0 0 "[ . 1 . 2]" 1
2254 2 51 VAL MG2 2 55 ASP HB3 5.200 . 5.700 4.418 3.308 5.708 0.008 15 0 "[ . 1 . 2]" 1
2255 2 57 VAL MG2 2 81 LEU HG 4.500 . 5.000 4.388 3.533 4.986 . 0 0 "[ . 1 . 2]" 1
2256 2 57 VAL MG2 2 58 MET ME 4.500 . 5.000 4.394 2.574 4.975 . 0 0 "[ . 1 . 2]" 1
2257 2 57 VAL MG2 2 77 LEU MD2 4.500 . 5.000 3.200 2.772 3.902 . 0 0 "[ . 1 . 2]" 1
2258 2 57 VAL MG2 2 77 LEU MD1 4.500 . 5.000 4.718 4.148 5.004 0.004 2 0 "[ . 1 . 2]" 1
2259 2 51 VAL HB 2 52 ASP HA 5.200 . 5.700 5.517 4.372 5.700 . 0 0 "[ . 1 . 2]" 1
2260 2 53 ALA MB 2 80 ALA MB 4.500 . 5.000 4.272 3.577 4.900 . 0 0 "[ . 1 . 2]" 1
2261 2 50 ASP HB3 2 53 ALA MB 4.500 . 5.000 3.108 2.425 3.803 . 0 0 "[ . 1 . 2]" 1
2262 2 53 ALA MB 2 84 ALA MB 3.800 . 4.300 2.705 2.269 2.988 . 0 0 "[ . 1 . 2]" 1
2263 2 76 VAL HA 2 79 ALA MB 3.800 . 4.300 2.902 2.739 3.130 . 0 0 "[ . 1 . 2]" 1
2264 2 54 VAL HA 2 57 VAL HB 4.500 . 5.000 3.527 2.780 5.027 0.027 11 0 "[ . 1 . 2]" 1
2265 2 54 VAL HA 2 57 VAL MG1 4.500 . 5.000 4.446 3.427 4.978 . 0 0 "[ . 1 . 2]" 1
2266 2 54 VAL HA 2 57 VAL MG2 4.500 . 5.000 3.142 2.154 3.795 . 0 0 "[ . 1 . 2]" 1
2267 2 53 ALA MB 2 54 VAL HA 4.500 . 5.000 3.813 3.675 3.926 . 0 0 "[ . 1 . 2]" 1
2268 2 54 VAL HA 2 58 MET ME 4.500 . 5.000 4.517 4.035 4.984 . 0 0 "[ . 1 . 2]" 1
2269 2 55 ASP HB3 2 56 LYS HA 4.500 . 5.000 4.168 4.074 4.280 . 0 0 "[ . 1 . 2]" 1
2270 2 56 LYS HA 2 59 LYS HE2 4.500 . 5.000 3.256 2.324 4.168 . 0 0 "[ . 1 . 2]" 1
2271 2 56 LYS HA 2 59 LYS HE3 4.500 . 5.000 4.015 2.416 4.989 . 0 0 "[ . 1 . 2]" 1
2272 2 56 LYS HA 2 59 LYS HD2 4.500 . 5.000 4.749 4.271 5.015 0.015 10 0 "[ . 1 . 2]" 1
2273 2 56 LYS HA 2 59 LYS HG2 3.800 . 4.300 2.517 2.289 4.434 0.134 2 0 "[ . 1 . 2]" 1
2274 2 56 LYS HA 2 59 LYS HG3 3.800 . 4.300 2.812 2.680 3.275 . 0 0 "[ . 1 . 2]" 1
2275 2 57 VAL HA 2 60 GLU HB2 4.500 . 5.000 2.870 2.506 4.421 . 0 0 "[ . 1 . 2]" 1
2276 2 57 VAL HB 2 58 MET ME 4.500 . 5.000 3.793 3.375 4.385 . 0 0 "[ . 1 . 2]" 1
2277 2 57 VAL MG1 2 58 MET HG2 4.500 . 5.000 3.922 2.877 5.009 0.009 5 0 "[ . 1 . 2]" 1
2278 2 57 VAL MG1 2 81 LEU MD2 4.500 . 5.000 3.768 2.622 4.893 . 0 0 "[ . 1 . 2]" 1
2279 2 57 VAL MG1 2 80 ALA MB 4.500 . 5.000 3.698 2.715 4.212 . 0 0 "[ . 1 . 2]" 1
2280 2 37 LEU MD2 2 58 MET ME 4.500 . 5.000 2.157 1.900 2.558 . 0 0 "[ . 1 . 2]" 1
2281 2 37 LEU MD1 2 58 MET ME 4.500 . 5.000 4.319 3.939 4.810 . 0 0 "[ . 1 . 2]" 1
2282 2 57 VAL MG1 2 58 MET ME 4.500 . 5.000 3.430 2.737 4.936 . 0 0 "[ . 1 . 2]" 1
2283 2 55 ASP HA 2 58 MET HG2 4.500 . 5.000 3.651 3.045 4.163 . 0 0 "[ . 1 . 2]" 1
2284 2 55 ASP HA 2 58 MET HG3 4.500 . 5.000 3.382 2.908 4.537 . 0 0 "[ . 1 . 2]" 1
2285 2 57 VAL MG2 2 58 MET HG2 4.500 . 5.000 4.439 2.214 4.993 . 0 0 "[ . 1 . 2]" 1
2286 2 58 MET ME 2 58 MET HG2 2.800 . 3.300 2.252 2.173 2.615 . 0 0 "[ . 1 . 2]" 1
2287 2 57 VAL HB 2 58 MET HG2 5.200 . 5.700 3.529 2.927 4.689 . 0 0 "[ . 1 . 2]" 1
2288 2 59 LYS HB2 2 59 LYS HE2 4.500 . 5.000 4.394 4.113 4.539 . 0 0 "[ . 1 . 2]" 1
2289 2 59 LYS HB2 2 59 LYS HE3 4.500 . 5.000 4.415 3.357 4.620 . 0 0 "[ . 1 . 2]" 1
2290 2 61 LEU HA 2 61 LEU MD1 4.500 . 5.000 3.822 3.760 3.880 . 0 0 "[ . 1 . 2]" 1
2291 2 59 LYS HD2 2 62 ASP HB2 5.200 . 5.700 5.664 5.573 5.708 0.008 2 0 "[ . 1 . 2]" 1
2292 2 62 ASP HB2 2 63 GLU HA 5.200 . 5.700 5.565 5.488 5.603 . 0 0 "[ . 1 . 2]" 1
2293 2 62 ASP HB3 2 63 GLU HA 5.200 . 5.700 4.081 3.916 4.191 . 0 0 "[ . 1 . 2]" 1
2294 2 77 LEU HA 2 77 LEU MD1 4.500 . 5.000 3.809 3.734 3.871 . 0 0 "[ . 1 . 2]" 1
2295 2 63 GLU HA 2 64 ASN HA 4.500 . 5.000 4.609 4.553 4.683 . 0 0 "[ . 1 . 2]" 1
2296 2 31 LYS HB3 2 65 GLY HA2 5.200 . 5.700 4.745 3.661 5.382 . 0 0 "[ . 1 . 2]" 1
2297 2 31 LYS HB3 2 65 GLY HA3 5.200 . 5.700 5.227 3.969 5.704 0.004 2 0 "[ . 1 . 2]" 1
2298 2 69 VAL HA 2 73 GLU HB2 4.500 . 5.000 3.947 3.538 4.423 . 0 0 "[ . 1 . 2]" 1
2299 2 69 VAL HA 2 73 GLU HB3 4.500 . 5.000 4.414 3.949 4.892 . 0 0 "[ . 1 . 2]" 1
2300 2 69 VAL HB 2 73 GLU HB3 3.800 . 4.300 2.754 2.516 2.848 . 0 0 "[ . 1 . 2]" 1
2301 2 69 VAL HB 2 73 GLU HA 4.500 . 5.000 4.997 4.844 5.042 0.042 10 0 "[ . 1 . 2]" 1
2302 2 69 VAL QG 2 73 GLU HG2 4.500 . 5.000 4.074 3.843 4.317 . 0 0 "[ . 1 . 2]" 1
2303 2 28 LEU MD2 2 69 VAL QG 4.500 . 5.000 3.705 2.647 4.533 . 0 0 "[ . 1 . 2]" 1
2304 2 72 GLN HA 2 72 GLN HG3 3.800 . 4.300 3.692 3.059 3.832 . 0 0 "[ . 1 . 2]" 1
2305 2 72 GLN HA 2 75 VAL MG2 4.500 . 5.000 3.007 2.791 3.352 . 0 0 "[ . 1 . 2]" 1
2306 2 72 GLN HA 2 75 VAL MG1 4.500 . 5.000 4.051 3.908 4.185 . 0 0 "[ . 1 . 2]" 1
2307 2 69 VAL QG 2 73 GLU HA 4.500 . 5.000 4.756 4.673 4.795 . 0 0 "[ . 1 . 2]" 1
2308 2 73 GLU HA 2 76 VAL MG1 4.500 . 5.000 4.171 2.683 4.527 . 0 0 "[ . 1 . 2]" 1
2309 2 74 TYR HA 2 77 LEU HB2 4.500 . 5.000 3.372 3.216 3.608 . 0 0 "[ . 1 . 2]" 1
2310 2 75 VAL HA 2 78 VAL MG2 4.500 . 5.000 2.017 2.010 2.036 . 0 0 "[ . 1 . 2]" 1
2311 2 11 LEU QD 2 75 VAL HA 4.500 . 5.000 3.218 3.021 3.473 . 0 0 "[ . 1 . 2]" 1
2312 2 75 VAL HA 2 78 VAL MG1 4.500 . 5.000 3.432 3.266 3.510 . 0 0 "[ . 1 . 2]" 1
2313 2 75 VAL HA 2 79 ALA MB 5.200 . 5.700 4.795 4.588 5.057 . 0 0 "[ . 1 . 2]" 1
2314 2 8 MET ME 2 75 VAL HA 5.200 . 5.700 5.468 4.972 5.717 0.017 7 0 "[ . 1 . 2]" 1
2315 2 72 GLN HA 2 75 VAL HB 4.500 . 5.000 2.674 2.507 2.845 . 0 0 "[ . 1 . 2]" 1
2316 2 75 VAL MG1 2 78 VAL HB 5.200 . 5.700 5.288 5.208 5.349 . 0 0 "[ . 1 . 2]" 1
2317 2 75 VAL MG1 2 78 VAL MG2 5.200 . 5.700 2.851 2.795 2.889 . 0 0 "[ . 1 . 2]" 1
2318 2 11 LEU QD 2 75 VAL MG1 3.800 . 4.300 2.927 2.757 3.107 . 0 0 "[ . 1 . 2]" 1
2319 2 8 MET ME 2 75 VAL MG1 3.800 . 4.300 2.790 2.344 3.056 . 0 0 "[ . 1 . 2]" 1
2320 2 75 VAL MG2 2 78 VAL MG1 5.200 . 5.700 4.335 4.147 4.417 . 0 0 "[ . 1 . 2]" 1
2321 2 75 VAL MG2 2 78 VAL MG2 5.200 . 5.700 3.289 3.272 3.318 . 0 0 "[ . 1 . 2]" 1
2322 2 73 GLU HA 2 76 VAL MG2 4.500 . 5.000 2.463 2.244 4.579 . 0 0 "[ . 1 . 2]" 1
2323 2 77 LEU HB3 2 80 ALA MB 4.500 . 5.000 3.989 3.822 4.200 . 0 0 "[ . 1 . 2]" 1
2324 2 77 LEU HA 2 77 LEU MD2 4.500 . 5.000 2.109 2.038 2.232 . 0 0 "[ . 1 . 2]" 1
2325 2 37 LEU MD1 2 77 LEU MD2 4.500 . 5.000 3.856 3.262 4.300 . 0 0 "[ . 1 . 2]" 1
2326 2 57 VAL MG1 2 77 LEU MD2 4.500 . 5.000 2.411 2.116 2.787 . 0 0 "[ . 1 . 2]" 1
2327 2 45 LEU HG 2 58 MET ME 4.500 . 5.000 4.690 4.111 4.972 . 0 0 "[ . 1 . 2]" 1
2328 2 77 LEU HB2 2 78 VAL HA 4.500 . 5.000 4.118 4.007 4.243 . 0 0 "[ . 1 . 2]" 1
2329 2 78 VAL HA 2 81 LEU HB3 5.200 . 5.700 4.791 4.499 5.083 . 0 0 "[ . 1 . 2]" 1
2330 2 41 LEU MD1 2 78 VAL HA 4.500 . 5.000 2.784 2.272 4.024 . 0 0 "[ . 1 . 2]" 1
2331 2 41 LEU MD2 2 78 VAL HA 4.500 . 5.000 3.550 2.268 4.348 . 0 0 "[ . 1 . 2]" 1
2332 2 75 VAL HA 2 78 VAL HB 4.500 . 5.000 4.675 4.659 4.718 . 0 0 "[ . 1 . 2]" 1
2333 2 75 VAL MG2 2 78 VAL HB 5.200 . 5.700 5.725 5.714 5.742 0.042 18 0 "[ . 1 . 2]" 1
2334 2 75 VAL MG1 2 78 VAL MG1 5.200 . 5.700 4.724 4.614 4.788 . 0 0 "[ . 1 . 2]" 1
2335 2 79 ALA HA 2 82 THR MG 4.500 . 5.000 3.820 3.619 4.023 . 0 0 "[ . 1 . 2]" 1
2336 2 78 VAL MG1 2 79 ALA MB 5.200 . 5.700 5.017 4.972 5.072 . 0 0 "[ . 1 . 2]" 1
2337 2 78 VAL HB 2 79 ALA MB 4.500 . 5.000 4.744 4.665 4.825 . 0 0 "[ . 1 . 2]" 1
2338 2 79 ALA MB 2 82 THR MG 4.500 . 5.000 4.639 4.445 4.851 . 0 0 "[ . 1 . 2]" 1
2339 2 80 ALA HA 2 83 VAL HB 4.500 . 5.000 3.449 3.208 3.652 . 0 0 "[ . 1 . 2]" 1
2340 2 80 ALA HA 2 83 VAL MG1 4.500 . 5.000 4.704 4.523 4.861 . 0 0 "[ . 1 . 2]" 1
2341 2 79 ALA MB 2 80 ALA MB 4.500 . 5.000 3.799 3.661 3.932 . 0 0 "[ . 1 . 2]" 1
2342 2 80 ALA MB 2 81 LEU MD2 4.500 . 5.000 4.151 2.139 4.592 . 0 0 "[ . 1 . 2]" 1
2343 2 80 ALA MB 2 81 LEU HB2 4.500 . 5.000 4.225 4.107 4.626 . 0 0 "[ . 1 . 2]" 1
2344 2 57 VAL MG2 2 80 ALA MB 4.500 . 5.000 3.000 2.369 3.934 . 0 0 "[ . 1 . 2]" 1
2345 2 80 ALA MB 2 81 LEU HG 4.500 . 5.000 4.355 3.029 4.788 . 0 0 "[ . 1 . 2]" 1
2346 2 78 VAL HA 2 81 LEU HB2 4.500 . 5.000 3.169 2.893 3.445 . 0 0 "[ . 1 . 2]" 1
2347 2 54 VAL MG1 2 81 LEU MD1 4.500 . 5.000 3.352 2.152 4.273 . 0 0 "[ . 1 . 2]" 1
2348 2 57 VAL MG2 2 81 LEU MD1 4.500 . 5.000 2.782 2.152 4.743 . 0 0 "[ . 1 . 2]" 1
2349 2 58 MET ME 2 81 LEU MD1 3.800 . 4.300 3.575 2.833 4.068 . 0 0 "[ . 1 . 2]" 1
2350 2 80 ALA MB 2 81 LEU MD1 4.500 . 5.000 2.481 2.050 4.323 . 0 0 "[ . 1 . 2]" 1
2351 2 54 VAL MG2 2 81 LEU MD2 4.500 . 5.000 3.561 2.616 4.366 . 0 0 "[ . 1 . 2]" 1
2352 2 54 VAL MG1 2 81 LEU MD2 4.500 . 5.000 2.900 2.240 4.099 . 0 0 "[ . 1 . 2]" 1
2353 2 37 LEU MD2 2 81 LEU MD2 4.500 . 5.000 2.074 1.906 3.206 . 0 0 "[ . 1 . 2]" 1
2354 2 57 VAL MG2 2 81 LEU MD2 4.500 . 5.000 4.001 2.489 4.897 . 0 0 "[ . 1 . 2]" 1
2355 2 58 MET ME 2 81 LEU MD2 3.800 . 4.300 2.746 2.199 4.196 . 0 0 "[ . 1 . 2]" 1
2356 2 57 VAL MG1 2 81 LEU HG 4.500 . 5.000 4.747 4.369 4.998 . 0 0 "[ . 1 . 2]" 1
2357 2 79 ALA MB 2 82 THR HB 4.500 . 5.000 3.942 3.738 4.160 . 0 0 "[ . 1 . 2]" 1
2358 2 82 THR MG 2 86 ASN HB3 4.500 . 5.000 4.352 3.413 4.836 . 0 0 "[ . 1 . 2]" 1
2359 2 82 THR MG 2 83 VAL MG1 4.500 . 5.000 4.968 4.713 5.012 0.012 8 0 "[ . 1 . 2]" 1
2360 2 82 THR MG 2 83 VAL MG2 4.500 . 5.000 3.529 3.217 3.643 . 0 0 "[ . 1 . 2]" 1
2361 2 82 THR MG 2 83 VAL HA 4.500 . 5.000 3.550 3.399 3.663 . 0 0 "[ . 1 . 2]" 1
2362 2 83 VAL HB 2 84 ALA MB 5.200 . 5.700 3.969 3.822 4.125 . 0 0 "[ . 1 . 2]" 1
2363 2 80 ALA HA 2 83 VAL MG2 4.500 . 5.000 3.248 2.924 3.560 . 0 0 "[ . 1 . 2]" 1
2364 2 83 VAL MG2 2 84 ALA MB 4.500 . 5.000 4.958 4.912 5.009 0.009 18 0 "[ . 1 . 2]" 1
2365 2 50 ASP HB3 2 84 ALA HA 4.500 . 5.000 3.854 2.771 4.980 . 0 0 "[ . 1 . 2]" 1
2366 2 54 VAL HB 2 84 ALA MB 4.500 . 5.000 4.699 4.286 5.010 0.010 2 0 "[ . 1 . 2]" 1
2367 2 54 VAL MG2 2 84 ALA MB 4.500 . 5.000 2.427 2.035 2.666 . 0 0 "[ . 1 . 2]" 1
2368 2 83 VAL MG1 2 84 ALA MB 4.500 . 5.000 4.099 3.801 4.315 . 0 0 "[ . 1 . 2]" 1
2369 2 54 VAL MG1 2 84 ALA MB 4.500 . 5.000 4.406 4.025 4.708 . 0 0 "[ . 1 . 2]" 1
2370 2 54 VAL HA 2 84 ALA MB 4.500 . 5.000 4.413 3.766 4.963 . 0 0 "[ . 1 . 2]" 1
2371 2 48 GLN HA 2 85 CYS HA 3.800 . 4.300 2.626 2.333 3.076 . 0 0 "[ . 1 . 2]" 1
2372 2 82 THR MG 2 86 ASN HB2 4.500 . 5.000 3.455 2.855 3.815 . 0 0 "[ . 1 . 2]" 1
2373 2 87 ASN HA 2 90 TRP HB3 5.200 . 5.700 4.696 4.059 5.613 . 0 0 "[ . 1 . 2]" 1
2374 2 13 ASN HA 2 16 HIS HB2 4.500 . 5.000 3.941 3.637 4.942 . 0 0 "[ . 1 . 2]" 1
2375 2 13 ASN HA 2 16 HIS HB3 4.500 . 5.000 3.075 2.767 3.687 . 0 0 "[ . 1 . 2]" 1
2376 2 87 ASN HA 2 90 TRP HB2 4.500 . 5.000 3.128 2.434 4.427 . 0 0 "[ . 1 . 2]" 1
2377 2 45 LEU HA 2 48 GLN HB3 4.500 . 5.000 4.644 2.284 5.015 0.015 5 0 "[ . 1 . 2]" 1
2378 2 16 HIS HA 2 16 HIS HD2 3.800 . 4.300 3.469 2.559 4.298 . 0 0 "[ . 1 . 2]" 1
2379 2 17 ALA MB 2 18 HIS HD2 3.800 . 4.300 2.688 2.104 3.448 . 0 0 "[ . 1 . 2]" 1
2380 2 26 TYR HA 2 26 TYR HD1 4.500 . 5.000 3.024 2.329 4.233 . 0 0 "[ . 1 . 2]" 1
2381 2 26 TYR HA 2 26 TYR HD2 4.500 . 5.000 4.032 2.992 4.521 . 0 0 "[ . 1 . 2]" 1
2382 2 44 PHE HD2 2 82 THR HA 4.500 . 5.000 3.445 2.608 4.821 . 0 0 "[ . 1 . 2]" 1
2383 2 44 PHE HA 2 44 PHE HD1 3.800 . 4.300 2.422 2.288 2.777 . 0 0 "[ . 1 . 2]" 1
2384 2 44 PHE HD2 2 82 THR MG 4.500 . 5.000 4.315 3.767 5.005 0.005 8 0 "[ . 1 . 2]" 1
2385 2 44 PHE HE2 2 82 THR HA 4.500 . 5.000 3.678 2.543 5.007 0.007 18 0 "[ . 1 . 2]" 1
2386 2 44 PHE HE2 2 82 THR MG 3.800 . 4.300 3.126 2.331 4.069 . 0 0 "[ . 1 . 2]" 1
2387 2 44 PHE HZ 2 82 THR MG 4.500 . 5.000 4.311 3.046 4.908 . 0 0 "[ . 1 . 2]" 1
2388 2 71 PHE HD2 2 72 GLN HB3 4.500 . 5.000 3.913 3.285 4.987 . 0 0 "[ . 1 . 2]" 1
2389 2 71 PHE HD2 2 72 GLN HG2 4.500 . 5.000 4.522 3.021 5.008 0.008 7 0 "[ . 1 . 2]" 1
2390 2 71 PHE HA 2 71 PHE HD1 4.500 . 5.000 2.577 2.291 2.837 . 0 0 "[ . 1 . 2]" 1
2391 2 71 PHE HE2 2 75 VAL MG2 5.200 . 5.700 2.986 2.521 3.426 . 0 0 "[ . 1 . 2]" 1
2392 2 71 PHE HE2 2 75 VAL MG1 5.200 . 5.700 4.663 4.053 5.228 . 0 0 "[ . 1 . 2]" 1
2393 2 8 MET ME 2 71 PHE HE2 3.800 . 4.300 3.543 2.896 4.187 . 0 0 "[ . 1 . 2]" 1
2394 2 8 MET ME 2 71 PHE HZ 3.800 . 4.300 3.591 2.956 4.281 . 0 0 "[ . 1 . 2]" 1
2395 2 74 TYR HA 2 74 TYR QD 3.800 . 4.300 2.911 2.304 3.131 . 0 0 "[ . 1 . 2]" 1
2396 2 71 PHE HA 2 74 TYR QD 4.500 . 5.000 4.344 3.537 4.742 . 0 0 "[ . 1 . 2]" 1
2397 2 33 LEU QD 2 74 TYR QD . . 4.300 2.396 2.144 2.958 . 0 0 "[ . 1 . 2]" 1
2398 2 36 LEU HG 2 74 TYR QD 4.500 . 5.000 3.902 3.764 5.004 0.004 3 0 "[ . 1 . 2]" 1
2399 2 36 LEU QD 2 74 TYR QD . . 4.300 3.074 2.825 3.332 . 0 0 "[ . 1 . 2]" 1
2400 2 69 VAL QG 2 74 TYR QD 5.200 . 5.700 4.682 4.221 5.040 . 0 0 "[ . 1 . 2]" 1
2401 2 11 LEU HG 2 74 TYR QE 4.500 . 5.000 4.719 4.390 4.956 . 0 0 "[ . 1 . 2]" 1
2402 2 36 LEU QD 2 74 TYR QE . . 4.300 2.859 2.182 3.247 . 0 0 "[ . 1 . 2]" 1
2403 2 11 LEU QD 2 74 TYR QE . . 4.300 2.215 2.045 2.805 . 0 0 "[ . 1 . 2]" 1
2404 2 11 LEU HB3 2 74 TYR QE 4.500 . 5.000 3.031 2.296 3.341 . 0 0 "[ . 1 . 2]" 1
2405 2 11 LEU HB2 2 74 TYR QE 4.500 . 5.000 4.722 4.044 4.995 . 0 0 "[ . 1 . 2]" 1
2406 2 15 PHE HA 2 74 TYR QE 5.200 . 5.700 4.768 4.160 5.032 . 0 0 "[ . 1 . 2]" 1
2407 2 11 LEU HA 2 74 TYR QE 4.500 . 5.000 3.638 3.256 3.885 . 0 0 "[ . 1 . 2]" 1
2408 2 88 PHE HA 2 88 PHE HD1 3.800 . 4.300 3.049 2.541 4.051 . 0 0 "[ . 1 . 2]" 1
2409 2 83 VAL HA 2 89 PHE HD2 4.500 . 5.000 2.964 2.454 3.446 . 0 0 "[ . 1 . 2]" 1
2410 2 89 PHE HA 2 89 PHE HD1 4.500 . 5.000 2.512 2.288 2.901 . 0 0 "[ . 1 . 2]" 1
2411 2 86 ASN HB3 2 89 PHE HD2 4.500 . 5.000 2.859 2.287 3.761 . 0 0 "[ . 1 . 2]" 1
2412 2 86 ASN HB2 2 89 PHE HD2 4.500 . 5.000 2.931 2.289 4.699 . 0 0 "[ . 1 . 2]" 1
2413 2 82 THR MG 2 89 PHE HD2 4.500 . 5.000 4.717 4.194 5.000 0.000 16 0 "[ . 1 . 2]" 1
2414 2 83 VAL MG1 2 89 PHE HD2 4.500 . 5.000 3.080 2.521 3.569 . 0 0 "[ . 1 . 2]" 1
2415 2 83 VAL MG2 2 89 PHE HD2 4.500 . 5.000 3.700 2.970 4.470 . 0 0 "[ . 1 . 2]" 1
2416 2 82 THR MG 2 89 PHE HE2 3.800 . 4.300 3.467 2.544 4.045 . 0 0 "[ . 1 . 2]" 1
2417 2 83 VAL MG1 2 89 PHE HE2 4.500 . 5.000 4.687 4.145 4.999 . 0 0 "[ . 1 . 2]" 1
2418 2 83 VAL MG2 2 89 PHE HE2 4.500 . 5.000 4.110 3.390 4.798 . 0 0 "[ . 1 . 2]" 1
2419 2 87 ASN HA 2 90 TRP HD1 3.800 . 4.300 2.553 2.283 3.433 . 0 0 "[ . 1 . 2]" 1
2420 2 90 TRP HA 2 90 TRP HD1 4.500 . 5.000 3.745 3.195 4.305 . 0 0 "[ . 1 . 2]" 1
2421 2 89 PHE HB2 2 90 TRP HD1 3.800 . 4.300 3.123 2.471 4.181 . 0 0 "[ . 1 . 2]" 1
2422 2 90 TRP HA 2 90 TRP HE3 3.800 . 4.300 3.563 2.541 4.209 . 0 0 "[ . 1 . 2]" 1
2423 2 84 ALA MB 2 90 TRP HZ2 4.500 . 5.000 4.223 3.404 4.938 . 0 0 "[ . 1 . 2]" 1
2424 2 50 ASP HB3 2 90 TRP HZ2 4.500 . 5.000 3.928 3.056 4.623 . 0 0 "[ . 1 . 2]" 1
2425 2 50 ASP HB2 2 90 TRP HZ2 4.500 . 5.000 3.759 2.697 4.885 . 0 0 "[ . 1 . 2]" 1
2426 2 84 ALA HA 2 90 TRP HZ2 3.800 . 4.300 3.384 2.300 4.304 0.004 17 0 "[ . 1 . 2]" 1
2427 2 3 GLU H 2 3 GLU QG 4.500 . 5.000 2.222 1.914 3.002 . 0 0 "[ . 1 . 2]" 1
2428 2 3 GLU QG 2 4 LEU H 4.500 . 5.000 4.147 3.981 4.507 . 0 0 "[ . 1 . 2]" 1
2429 2 4 LEU HA 2 4 LEU QD 3.800 . 4.300 2.301 2.039 3.019 . 0 0 "[ . 1 . 2]" 1
2430 2 4 LEU QD 2 5 GLU H 4.500 . 5.000 3.446 2.891 3.894 . 0 0 "[ . 1 . 2]" 1
2431 2 4 LEU QD 2 7 ALA H 4.500 . 5.000 4.179 3.827 4.658 . 0 0 "[ . 1 . 2]" 1
2432 2 4 LEU QD 2 7 ALA MB 3.800 . 4.300 2.968 2.470 3.849 . 0 0 "[ . 1 . 2]" 1
2433 2 4 LEU QD 2 8 MET H 3.800 . 4.300 3.759 3.319 4.308 0.008 5 0 "[ . 1 . 2]" 1
2434 2 4 LEU QD 2 8 MET ME 4.500 . 5.000 3.794 2.838 4.437 . 0 0 "[ . 1 . 2]" 1
2435 2 5 GLU H 2 5 GLU QG 3.800 . 4.300 2.014 1.885 2.207 . 0 0 "[ . 1 . 2]" 1
2436 2 5 GLU QB 2 6 THR H 3.800 . 4.300 2.616 2.527 2.697 . 0 0 "[ . 1 . 2]" 1
2437 2 5 GLU QB 2 7 ALA H 5.200 . 5.700 4.664 4.572 4.882 . 0 0 "[ . 1 . 2]" 1
2438 2 6 THR MG 2 9 GLU QG 4.500 . 5.000 4.357 3.764 4.880 . 0 0 "[ . 1 . 2]" 1
2439 2 8 MET H 2 8 MET QG 3.800 . 4.300 2.130 1.803 2.595 . 0 0 "[ . 1 . 2]" 1
2440 2 8 MET H 2 11 LEU QD 4.500 . 5.000 4.126 3.766 4.296 . 0 0 "[ . 1 . 2]" 1
2441 2 8 MET HA 2 11 LEU QB 4.500 . 5.000 2.858 2.524 3.229 . 0 0 "[ . 1 . 2]" 1
2442 2 8 MET HA 2 11 LEU QD 3.800 . 4.300 2.303 2.213 2.626 . 0 0 "[ . 1 . 2]" 1
2443 2 8 MET QB 2 8 MET ME 3.800 . 4.300 2.558 2.015 3.600 . 0 0 "[ . 1 . 2]" 1
2444 2 8 MET QB 2 9 GLU H 3.800 . 4.300 2.646 2.537 2.743 . 0 0 "[ . 1 . 2]" 1
2445 2 8 MET ME 2 11 LEU QD 2.800 . 3.300 2.510 2.194 2.686 . 0 0 "[ . 1 . 2]" 1
2446 2 9 GLU QG 2 10 THR H 4.500 . 5.000 4.138 4.019 4.229 . 0 0 "[ . 1 . 2]" 1
2447 2 10 THR H 2 11 LEU QD 4.500 . 5.000 4.534 4.421 4.624 . 0 0 "[ . 1 . 2]" 1
2448 2 10 THR MG 2 14 VAL QG 3.800 . 4.300 2.937 2.561 3.663 . 0 0 "[ . 1 . 2]" 1
2449 2 11 LEU HA 2 14 VAL QG 4.500 . 5.000 3.307 2.375 3.837 . 0 0 "[ . 1 . 2]" 1
2450 2 11 LEU QB 2 12 ILE H 3.800 . 4.300 2.583 2.472 2.945 . 0 0 "[ . 1 . 2]" 1
2451 2 11 LEU QB 2 74 TYR QE 3.800 . 4.300 2.996 2.284 3.293 . 0 0 "[ . 1 . 2]" 1
2452 2 11 LEU QD 2 14 VAL HB 5.200 . 5.700 4.232 3.732 5.596 . 0 0 "[ . 1 . 2]" 1
2453 2 11 LEU QD 2 14 VAL QG 4.500 . 5.000 3.787 3.016 4.298 . 0 0 "[ . 1 . 2]" 1
2454 2 11 LEU QD 2 41 LEU QD 4.500 . 5.000 4.660 4.126 4.975 . 0 0 "[ . 1 . 2]" 1
2455 2 11 LEU QD 2 74 TYR QD 4.500 . 5.000 3.509 3.173 3.903 . 0 0 "[ . 1 . 2]" 1
2456 2 11 LEU QD 2 75 VAL QG 2.800 . 3.300 2.288 2.105 2.449 . 0 0 "[ . 1 . 2]" 1
2457 2 11 LEU QD 2 78 VAL HB 4.500 . 5.000 3.709 3.477 4.017 . 0 0 "[ . 1 . 2]" 1
2458 2 11 LEU QD 2 78 VAL QG 3.800 . 4.300 2.430 2.237 2.664 . 0 0 "[ . 1 . 2]" 1
2459 2 11 LEU QD 2 79 ALA MB 5.200 . 5.700 5.004 4.856 5.250 . 0 0 "[ . 1 . 2]" 1
2460 2 13 ASN H 2 14 VAL QG 4.500 . 5.000 4.098 3.503 4.323 . 0 0 "[ . 1 . 2]" 1
2461 2 13 ASN QB 2 14 VAL H 3.800 . 4.300 2.449 2.177 3.403 . 0 0 "[ . 1 . 2]" 1
2462 2 13 ASN QB 2 14 VAL QG 3.800 . 4.300 3.020 2.764 3.896 . 0 0 "[ . 1 . 2]" 1
2463 2 14 VAL H 2 14 VAL QG 2.800 . 3.300 2.142 1.788 2.275 0.012 20 0 "[ . 1 . 2]" 1
2464 2 14 VAL QG 2 17 ALA H 4.500 . 5.000 4.203 4.032 4.487 . 0 0 "[ . 1 . 2]" 1
2465 2 14 VAL QG 2 17 ALA MB 3.800 . 4.300 3.202 2.809 3.789 . 0 0 "[ . 1 . 2]" 1
2466 2 14 VAL QG 2 18 HIS H 4.500 . 5.000 4.189 3.815 4.812 . 0 0 "[ . 1 . 2]" 1
2467 2 14 VAL QG 2 18 HIS HD2 3.800 . 4.300 2.819 2.025 4.078 . 0 0 "[ . 1 . 2]" 1
2468 2 14 VAL QG 2 36 LEU HG 4.500 . 5.000 4.514 3.773 5.002 0.002 7 0 "[ . 1 . 2]" 1
2469 2 14 VAL QG 2 36 LEU QD 3.800 . 4.300 2.736 2.248 3.387 . 0 0 "[ . 1 . 2]" 1
2470 2 14 VAL QG 2 40 GLU H 5.200 . 5.700 5.393 5.014 5.706 0.006 7 0 "[ . 1 . 2]" 1
2471 2 14 VAL QG 2 40 GLU QB 4.500 . 5.000 3.492 2.950 3.932 . 0 0 "[ . 1 . 2]" 1
2472 2 14 VAL QG 2 40 GLU HG2 4.500 . 5.000 3.598 2.698 4.419 . 0 0 "[ . 1 . 2]" 1
2473 2 14 VAL QG 2 40 GLU HG3 3.800 . 4.300 2.645 2.151 3.998 . 0 0 "[ . 1 . 2]" 1
2474 2 14 VAL QG 2 74 TYR QE 4.500 . 5.000 3.744 3.092 4.401 . 0 0 "[ . 1 . 2]" 1
2475 2 15 PHE HA 2 36 LEU QD 4.500 . 5.000 3.083 2.568 3.992 . 0 0 "[ . 1 . 2]" 1
2476 2 15 PHE QB 2 16 HIS H 3.800 . 4.300 2.427 2.098 2.569 . 0 0 "[ . 1 . 2]" 1
2477 2 15 PHE HD1 2 28 LEU QD 4.500 . 5.000 3.891 2.638 4.998 . 0 0 "[ . 1 . 2]" 1
2478 2 15 PHE HE1 2 28 LEU QD 5.200 . 5.700 3.018 2.132 4.300 . 0 0 "[ . 1 . 2]" 1
2479 2 15 PHE HE2 2 28 LEU QD 5.200 . 5.700 4.249 2.307 5.295 . 0 0 "[ . 1 . 2]" 1
2480 2 15 PHE HD2 2 28 LEU QD 5.200 . 5.700 4.946 3.546 5.650 . 0 0 "[ . 1 . 2]" 1
2481 2 16 HIS QB 2 17 ALA H 3.800 . 4.300 2.846 2.533 3.080 . 0 0 "[ . 1 . 2]" 1
2482 2 18 HIS H 2 28 LEU QD 4.500 . 5.000 4.744 4.309 5.014 0.014 10 0 "[ . 1 . 2]" 1
2483 2 18 HIS H 2 36 LEU QD 4.500 . 5.000 3.837 3.466 4.408 . 0 0 "[ . 1 . 2]" 1
2484 2 18 HIS HA 2 21 LYS QG 4.500 . 5.000 3.520 2.193 4.884 . 0 0 "[ . 1 . 2]" 1
2485 2 18 HIS HA 2 21 LYS QD 4.500 . 5.000 3.914 2.397 4.991 . 0 0 "[ . 1 . 2]" 1
2486 2 18 HIS HA 2 21 LYS QE 4.500 . 5.000 3.141 2.282 4.349 . 0 0 "[ . 1 . 2]" 1
2487 2 18 HIS HA 2 28 LEU QD 5.200 . 5.700 4.707 4.117 5.547 . 0 0 "[ . 1 . 2]" 1
2488 2 18 HIS HB2 2 28 LEU QD 3.800 . 4.300 3.221 2.805 3.639 . 0 0 "[ . 1 . 2]" 1
2489 2 18 HIS HB2 2 36 LEU QD 4.500 . 5.000 2.320 2.145 2.721 . 0 0 "[ . 1 . 2]" 1
2490 2 18 HIS HB3 2 28 LEU QD 4.500 . 5.000 3.129 2.426 3.941 . 0 0 "[ . 1 . 2]" 1
2491 2 18 HIS HB3 2 36 LEU QD 4.500 . 5.000 2.634 2.156 3.484 . 0 0 "[ . 1 . 2]" 1
2492 2 18 HIS HD2 2 36 LEU QD 4.500 . 5.000 2.621 2.133 3.931 . 0 0 "[ . 1 . 2]" 1
2493 2 19 SER HA 2 28 LEU QD 3.800 . 4.300 2.942 2.252 3.797 . 0 0 "[ . 1 . 2]" 1
2494 2 19 SER QB 2 20 GLY H 4.500 . 5.000 2.999 2.530 3.621 . 0 0 "[ . 1 . 2]" 1
2495 2 20 GLY QA 2 25 LYS H 4.500 . 5.000 4.373 2.201 4.943 . 0 0 "[ . 1 . 2]" 1
2496 2 21 LYS H 2 21 LYS QG 3.800 . 4.300 3.061 2.140 4.246 . 0 0 "[ . 1 . 2]" 1
2497 2 21 LYS HA 2 21 LYS QD 4.500 . 5.000 3.669 2.248 4.140 . 0 0 "[ . 1 . 2]" 1
2498 2 21 LYS QB 2 22 GLU H 3.800 . 4.300 2.500 1.788 3.910 0.012 1 0 "[ . 1 . 2]" 1
2499 2 22 GLU QG 2 23 GLY H 4.500 . 5.000 3.388 2.029 4.243 . 0 0 "[ . 1 . 2]" 1
2500 2 24 ASP QB 2 25 LYS H 4.500 . 5.000 3.302 1.910 3.947 . 0 0 "[ . 1 . 2]" 1
2501 2 24 ASP QB 2 27 LYS H 3.800 . 4.300 3.127 2.066 4.092 . 0 0 "[ . 1 . 2]" 1
2502 2 24 ASP QB 2 27 LYS QD 4.500 . 5.000 4.246 2.346 4.987 . 0 0 "[ . 1 . 2]" 1
2503 2 24 ASP QB 2 27 LYS QE 4.500 . 5.000 3.618 2.166 4.978 . 0 0 "[ . 1 . 2]" 1
2504 2 25 LYS H 2 25 LYS QG 3.800 . 4.300 3.007 1.793 4.194 0.007 15 0 "[ . 1 . 2]" 1
2505 2 25 LYS QG 2 26 TYR H 4.500 . 5.000 3.875 2.272 4.453 . 0 0 "[ . 1 . 2]" 1
2506 2 26 TYR QB 2 27 LYS H 3.800 . 4.300 3.056 2.399 4.055 . 0 0 "[ . 1 . 2]" 1
2507 2 27 LYS H 2 27 LYS QD 4.500 . 5.000 3.982 1.908 5.023 0.023 17 0 "[ . 1 . 2]" 1
2508 2 27 LYS H 2 27 LYS QE 4.500 . 5.000 4.515 3.682 4.979 . 0 0 "[ . 1 . 2]" 1
2509 2 27 LYS HA 2 27 LYS QD 3.800 . 4.300 3.991 3.446 4.268 . 0 0 "[ . 1 . 2]" 1
2510 2 27 LYS QD 2 68 GLU QB 4.500 . 5.000 2.726 2.264 3.613 . 0 0 "[ . 1 . 2]" 1
2511 2 27 LYS QE 2 68 GLU QG 5.200 . 5.700 4.413 2.459 5.625 . 0 0 "[ . 1 . 2]" 1
2512 2 28 LEU H 2 28 LEU QD 4.500 . 5.000 3.705 2.883 3.926 . 0 0 "[ . 1 . 2]" 1
2513 2 28 LEU H 2 68 GLU QB 4.500 . 5.000 3.476 2.564 4.679 . 0 0 "[ . 1 . 2]" 1
2514 2 28 LEU QB 2 29 SER H 3.800 . 4.300 3.692 2.836 3.904 . 0 0 "[ . 1 . 2]" 1
2515 2 28 LEU QB 2 69 VAL QG 3.800 . 4.300 2.359 2.160 2.714 . 0 0 "[ . 1 . 2]" 1
2516 2 28 LEU QD 2 29 SER H 3.800 . 4.300 2.226 1.888 2.670 . 0 0 "[ . 1 . 2]" 1
2517 2 28 LEU QD 2 32 GLN H 3.800 . 4.300 3.791 3.542 4.157 . 0 0 "[ . 1 . 2]" 1
2518 2 28 LEU QD 2 32 GLN HA 4.500 . 5.000 4.326 3.946 4.622 . 0 0 "[ . 1 . 2]" 1
2519 2 28 LEU QD 2 32 GLN QB 3.800 . 4.300 2.207 1.909 2.523 . 0 0 "[ . 1 . 2]" 1
2520 2 28 LEU QD 2 33 LEU H 3.800 . 4.300 2.931 2.697 3.423 . 0 0 "[ . 1 . 2]" 1
2521 2 28 LEU QD 2 33 LEU HA 3.800 . 4.300 2.616 2.304 2.915 . 0 0 "[ . 1 . 2]" 1
2522 2 28 LEU QD 2 33 LEU QD 3.800 . 4.300 2.366 1.821 2.952 . 0 0 "[ . 1 . 2]" 1
2523 2 28 LEU QD 2 34 LYS H 4.500 . 5.000 4.784 4.609 5.050 0.050 19 0 "[ . 1 . 2]" 1
2524 2 28 LEU QD 2 36 LEU HG 4.500 . 5.000 4.367 4.011 4.820 . 0 0 "[ . 1 . 2]" 1
2525 2 28 LEU QD 2 36 LEU QD 3.800 . 4.300 2.203 1.923 2.598 . 0 0 "[ . 1 . 2]" 1
2526 2 28 LEU QD 2 69 VAL QG 3.800 . 4.300 2.947 2.479 3.831 . 0 0 "[ . 1 . 2]" 1
2527 2 29 SER H 2 32 GLN QB 3.800 . 4.300 3.153 2.152 3.543 . 0 0 "[ . 1 . 2]" 1
2528 2 29 SER HA 2 68 GLU QB 4.500 . 5.000 3.068 2.668 3.817 . 0 0 "[ . 1 . 2]" 1
2529 2 29 SER HA 2 68 GLU QG 4.500 . 5.000 4.583 2.280 5.016 0.016 16 0 "[ . 1 . 2]" 1
2530 2 29 SER QB 2 30 LYS H 3.800 . 4.300 3.226 2.568 3.689 . 0 0 "[ . 1 . 2]" 1
2531 2 29 SER QB 2 31 LYS H 4.500 . 5.000 3.400 2.833 4.075 . 0 0 "[ . 1 . 2]" 1
2532 2 30 LYS H 2 30 LYS QD 4.500 . 5.000 3.777 1.787 4.536 0.013 7 0 "[ . 1 . 2]" 1
2533 2 30 LYS H 2 30 LYS QE 4.500 . 5.000 4.442 3.679 4.991 . 0 0 "[ . 1 . 2]" 1
2534 2 30 LYS H 2 68 GLU QB 4.500 . 5.000 4.213 3.749 4.674 . 0 0 "[ . 1 . 2]" 1
2535 2 30 LYS HA 2 33 LEU QD 4.500 . 5.000 3.138 2.850 3.989 . 0 0 "[ . 1 . 2]" 1
2536 2 30 LYS HA 2 61 LEU QD 3.800 . 4.300 3.201 2.333 3.597 . 0 0 "[ . 1 . 2]" 1
2537 2 30 LYS QB 2 31 LYS H 3.800 . 4.300 2.552 2.382 2.824 . 0 0 "[ . 1 . 2]" 1
2538 2 30 LYS QB 2 61 LEU QD 3.800 . 4.300 2.536 2.144 3.781 . 0 0 "[ . 1 . 2]" 1
2539 2 30 LYS QB 2 69 VAL QG 4.500 . 5.000 3.865 2.793 4.449 . 0 0 "[ . 1 . 2]" 1
2540 2 30 LYS QD 2 61 LEU QD 3.800 . 4.300 2.777 2.137 3.647 . 0 0 "[ . 1 . 2]" 1
2541 2 30 LYS QD 2 69 VAL QG 3.800 . 4.300 3.419 2.141 3.896 . 0 0 "[ . 1 . 2]" 1
2542 2 30 LYS QE 2 61 LEU QD 3.800 . 4.300 3.890 3.379 4.308 0.008 7 0 "[ . 1 . 2]" 1
2543 2 30 LYS QE 2 67 GLY H 4.500 . 5.000 4.403 3.586 5.008 0.008 3 0 "[ . 1 . 2]" 1
2544 2 30 LYS QE 2 68 GLU H 4.500 . 5.000 2.947 2.217 4.026 . 0 0 "[ . 1 . 2]" 1
2545 2 30 LYS QE 2 69 VAL QG 3.800 . 4.300 2.396 1.946 3.128 . 0 0 "[ . 1 . 2]" 1
2546 2 31 LYS H 2 31 LYS QG 3.800 . 4.300 3.747 1.771 4.040 0.029 17 0 "[ . 1 . 2]" 1
2547 2 31 LYS H 2 31 LYS QD 4.500 . 5.000 4.245 3.746 4.410 . 0 0 "[ . 1 . 2]" 1
2548 2 31 LYS HA 2 31 LYS QG 3.800 . 4.300 2.463 2.266 3.273 . 0 0 "[ . 1 . 2]" 1
2549 2 31 LYS HA 2 34 LYS QD 4.500 . 5.000 3.707 2.420 4.460 . 0 0 "[ . 1 . 2]" 1
2550 2 31 LYS HB2 2 31 LYS QE 4.500 . 5.000 3.932 3.812 4.206 . 0 0 "[ . 1 . 2]" 1
2551 2 31 LYS HB3 2 31 LYS QE 4.500 . 5.000 4.110 3.288 4.532 . 0 0 "[ . 1 . 2]" 1
2552 2 31 LYS QG 2 32 GLN H 3.800 . 4.300 3.522 1.794 4.023 0.006 17 0 "[ . 1 . 2]" 1
2553 2 31 LYS QG 2 32 GLN HA 4.500 . 5.000 3.800 3.505 4.309 . 0 0 "[ . 1 . 2]" 1
2554 2 31 LYS QD 2 32 GLN H 4.500 . 5.000 4.425 2.872 4.947 . 0 0 "[ . 1 . 2]" 1
2555 2 32 GLN HA 2 35 GLU QB 4.500 . 5.000 3.242 2.469 3.665 . 0 0 "[ . 1 . 2]" 1
2556 2 32 GLN HA 2 35 GLU QG 4.500 . 5.000 4.210 3.234 5.027 0.027 2 0 "[ . 1 . 2]" 1
2557 2 32 GLN QB 2 33 LEU H 3.800 . 4.300 2.790 2.567 2.986 . 0 0 "[ . 1 . 2]" 1
2558 2 33 LEU HA 2 36 LEU QB 4.500 . 5.000 2.345 2.233 4.110 . 0 0 "[ . 1 . 2]" 1
2559 2 33 LEU HG 2 37 LEU QD 3.800 . 4.300 3.293 2.680 4.297 . 0 0 "[ . 1 . 2]" 1
2560 2 33 LEU HG 2 61 LEU QD 4.500 . 5.000 3.100 2.363 3.974 . 0 0 "[ . 1 . 2]" 1
2561 2 33 LEU QD 2 36 LEU H 4.500 . 5.000 4.250 3.668 4.798 . 0 0 "[ . 1 . 2]" 1
2562 2 33 LEU QD 2 36 LEU QB 3.800 . 4.300 2.705 2.242 4.124 . 0 0 "[ . 1 . 2]" 1
2563 2 33 LEU QD 2 36 LEU QD 3.800 . 4.300 2.516 2.067 3.563 . 0 0 "[ . 1 . 2]" 1
2564 2 33 LEU QD 2 37 LEU H 3.800 . 4.300 3.325 2.552 4.168 . 0 0 "[ . 1 . 2]" 1
2565 2 33 LEU QD 2 37 LEU HG 4.500 . 5.000 4.813 4.219 5.016 0.016 6 0 "[ . 1 . 2]" 1
2566 2 33 LEU QD 2 37 LEU QD 3.800 . 4.300 2.601 2.051 2.874 . 0 0 "[ . 1 . 2]" 1
2567 2 33 LEU QD 2 57 VAL QG 4.500 . 5.000 4.316 3.701 5.013 0.013 7 0 "[ . 1 . 2]" 1
2568 2 33 LEU QD 2 61 LEU QD 3.800 . 4.300 2.216 1.829 2.665 . 0 0 "[ . 1 . 2]" 1
2569 2 33 LEU QD 2 74 TYR H 4.500 . 5.000 4.485 4.197 4.798 . 0 0 "[ . 1 . 2]" 1
2570 2 33 LEU QD 2 74 TYR QB 4.500 . 5.000 2.959 2.486 3.332 . 0 0 "[ . 1 . 2]" 1
2571 2 33 LEU QD 2 74 TYR QE 4.500 . 5.000 3.706 3.379 4.300 . 0 0 "[ . 1 . 2]" 1
2572 2 33 LEU QD 2 77 LEU H 5.200 . 5.700 5.051 4.834 5.339 . 0 0 "[ . 1 . 2]" 1
2573 2 33 LEU QD 2 77 LEU HB3 4.500 . 5.000 4.215 3.579 4.467 . 0 0 "[ . 1 . 2]" 1
2574 2 33 LEU QD 2 77 LEU QD 3.800 . 4.300 1.955 1.818 2.122 . 0 0 "[ . 1 . 2]" 1
2575 2 33 LEU QD 2 78 VAL QG 4.500 . 5.000 4.314 3.774 4.687 . 0 0 "[ . 1 . 2]" 1
2576 2 34 LYS H 2 34 LYS QD 4.500 . 5.000 4.067 3.403 4.418 . 0 0 "[ . 1 . 2]" 1
2577 2 34 LYS H 2 35 GLU QB 4.500 . 5.000 4.730 4.464 4.976 . 0 0 "[ . 1 . 2]" 1
2578 2 34 LYS H 2 61 LEU QD 3.800 . 4.300 2.861 2.160 3.560 . 0 0 "[ . 1 . 2]" 1
2579 2 34 LYS HA 2 37 LEU QB 4.500 . 5.000 3.141 2.395 3.494 . 0 0 "[ . 1 . 2]" 1
2580 2 34 LYS HA 2 37 LEU QD 3.800 . 4.300 3.817 2.922 4.277 . 0 0 "[ . 1 . 2]" 1
2581 2 34 LYS HA 2 61 LEU QD 3.800 . 4.300 2.289 2.099 2.462 . 0 0 "[ . 1 . 2]" 1
2582 2 34 LYS HB2 2 61 LEU QD 4.500 . 5.000 2.654 2.145 3.258 . 0 0 "[ . 1 . 2]" 1
2583 2 34 LYS HB3 2 61 LEU QD 4.500 . 5.000 3.190 2.030 4.259 . 0 0 "[ . 1 . 2]" 1
2584 2 34 LYS HG2 2 61 LEU QD 4.500 . 5.000 4.340 3.847 4.799 . 0 0 "[ . 1 . 2]" 1
2585 2 34 LYS HG3 2 61 LEU QD 4.500 . 5.000 3.843 3.153 4.893 . 0 0 "[ . 1 . 2]" 1
2586 2 34 LYS QE 2 61 LEU QD 4.500 . 5.000 4.398 3.688 5.001 0.001 19 0 "[ . 1 . 2]" 1
2587 2 35 GLU H 2 35 GLU QB 2.800 . 3.300 2.350 2.253 2.469 . 0 0 "[ . 1 . 2]" 1
2588 2 35 GLU H 2 35 GLU QG 3.800 . 4.300 2.972 2.036 4.036 . 0 0 "[ . 1 . 2]" 1
2589 2 35 GLU H 2 36 LEU QB 4.500 . 5.000 4.288 4.144 4.743 . 0 0 "[ . 1 . 2]" 1
2590 2 35 GLU HA 2 38 GLN QB 4.500 . 5.000 3.849 2.365 4.722 . 0 0 "[ . 1 . 2]" 1
2591 2 35 GLU HA 2 38 GLN QG 4.500 . 5.000 2.757 2.236 4.211 . 0 0 "[ . 1 . 2]" 1
2592 2 35 GLU QB 2 36 LEU H 3.800 . 4.300 2.490 2.301 2.920 . 0 0 "[ . 1 . 2]" 1
2593 2 35 GLU QG 2 36 LEU H 4.500 . 5.000 3.852 3.173 4.579 . 0 0 "[ . 1 . 2]" 1
2594 2 36 LEU H 2 36 LEU QB 2.800 . 3.300 2.254 2.233 2.366 . 0 0 "[ . 1 . 2]" 1
2595 2 36 LEU HG 2 78 VAL QG 5.200 . 5.700 5.154 4.818 5.696 . 0 0 "[ . 1 . 2]" 1
2596 2 36 LEU QD 2 37 LEU HA 3.800 . 4.300 3.884 2.652 4.051 . 0 0 "[ . 1 . 2]" 1
2597 2 36 LEU QD 2 37 LEU HG 5.200 . 5.700 5.655 4.877 5.742 0.042 14 0 "[ . 1 . 2]" 1
2598 2 36 LEU QD 2 40 GLU H 4.500 . 5.000 3.510 3.157 3.910 . 0 0 "[ . 1 . 2]" 1
2599 2 36 LEU QD 2 40 GLU QB 3.800 . 4.300 3.453 3.093 3.771 . 0 0 "[ . 1 . 2]" 1
2600 2 36 LEU QD 2 40 GLU HG2 4.500 . 5.000 2.373 2.211 3.467 . 0 0 "[ . 1 . 2]" 1
2601 2 37 LEU HA 2 37 LEU QD 3.800 . 4.300 2.211 2.116 2.238 . 0 0 "[ . 1 . 2]" 1
2602 2 37 LEU HA 2 41 LEU QD 4.500 . 5.000 3.297 2.684 3.718 . 0 0 "[ . 1 . 2]" 1
2603 2 37 LEU HA 2 78 VAL QG 4.500 . 5.000 4.058 3.697 4.394 . 0 0 "[ . 1 . 2]" 1
2604 2 37 LEU QB 2 38 GLN H 3.800 . 4.300 2.189 1.988 2.591 . 0 0 "[ . 1 . 2]" 1
2605 2 37 LEU QB 2 58 MET ME 3.800 . 4.300 2.877 2.210 3.379 . 0 0 "[ . 1 . 2]" 1
2606 2 37 LEU QB 2 81 LEU QD 4.500 . 5.000 3.799 3.318 4.379 . 0 0 "[ . 1 . 2]" 1
2607 2 37 LEU QD 2 41 LEU H 4.500 . 5.000 4.818 4.312 5.022 0.022 6 0 "[ . 1 . 2]" 1
2608 2 37 LEU QD 2 41 LEU HB2 4.500 . 5.000 4.078 3.702 4.318 . 0 0 "[ . 1 . 2]" 1
2609 2 37 LEU QD 2 41 LEU QD 3.800 . 4.300 2.692 2.289 3.000 . 0 0 "[ . 1 . 2]" 1
2610 2 37 LEU QD 2 45 LEU QD 4.500 . 5.000 3.764 3.407 4.300 . 0 0 "[ . 1 . 2]" 1
2611 2 37 LEU QD 2 57 VAL QG 3.800 . 4.300 2.657 2.283 3.034 . 0 0 "[ . 1 . 2]" 1
2612 2 37 LEU QD 2 58 MET ME 3.800 . 4.300 2.152 1.896 2.549 . 0 0 "[ . 1 . 2]" 1
2613 2 37 LEU QD 2 61 LEU QD 3.800 . 4.300 3.020 2.220 3.523 . 0 0 "[ . 1 . 2]" 1
2614 2 37 LEU QD 2 74 TYR QE 4.500 . 5.000 3.119 2.317 3.991 . 0 0 "[ . 1 . 2]" 1
2615 2 37 LEU QD 2 77 LEU HB2 3.800 . 4.300 2.387 2.249 2.527 . 0 0 "[ . 1 . 2]" 1
2616 2 37 LEU QD 2 77 LEU HB3 4.500 . 5.000 2.275 2.143 2.437 . 0 0 "[ . 1 . 2]" 1
2617 2 37 LEU QD 2 77 LEU HG 4.500 . 5.000 4.040 3.835 4.178 . 0 0 "[ . 1 . 2]" 1
2618 2 37 LEU QD 2 77 LEU QD 3.800 . 4.300 2.300 2.058 2.597 . 0 0 "[ . 1 . 2]" 1
2619 2 37 LEU QD 2 78 VAL H 3.800 . 4.300 3.173 2.673 3.640 . 0 0 "[ . 1 . 2]" 1
2620 2 37 LEU QD 2 78 VAL HA 3.800 . 4.300 3.186 2.592 3.833 . 0 0 "[ . 1 . 2]" 1
2621 2 37 LEU QD 2 78 VAL QG 2.800 . 3.300 2.555 1.966 3.034 . 0 0 "[ . 1 . 2]" 1
2622 2 37 LEU QD 2 81 LEU HB2 4.500 . 5.000 3.904 3.370 4.354 . 0 0 "[ . 1 . 2]" 1
2623 2 37 LEU QD 2 81 LEU QD 3.800 . 4.300 1.901 1.785 2.104 0.015 20 0 "[ . 1 . 2]" 1
2624 2 38 GLN H 2 38 GLN QG 3.800 . 4.300 2.268 1.777 3.906 0.023 3 0 "[ . 1 . 2]" 1
2625 2 38 GLN H 2 45 LEU QD 4.500 . 5.000 4.175 3.893 4.589 . 0 0 "[ . 1 . 2]" 1
2626 2 38 GLN HA 2 45 LEU QD 3.800 . 4.300 2.255 2.011 2.560 . 0 0 "[ . 1 . 2]" 1
2627 2 38 GLN QB 2 39 THR H 3.800 . 4.300 2.982 2.360 3.412 . 0 0 "[ . 1 . 2]" 1
2628 2 38 GLN QB 2 45 LEU QD 4.500 . 5.000 2.383 1.961 3.399 . 0 0 "[ . 1 . 2]" 1
2629 2 38 GLN QB 2 58 MET ME 3.800 . 4.300 3.088 2.331 4.143 . 0 0 "[ . 1 . 2]" 1
2630 2 38 GLN QG 2 45 LEU QD 4.500 . 5.000 3.387 2.191 4.120 . 0 0 "[ . 1 . 2]" 1
2631 2 39 THR H 2 45 LEU QD 4.500 . 5.000 4.791 4.523 5.031 0.031 20 0 "[ . 1 . 2]" 1
2632 2 39 THR HA 2 42 SER QB 3.800 . 4.300 3.185 2.270 3.961 . 0 0 "[ . 1 . 2]" 1
2633 2 40 GLU QB 2 41 LEU H 3.800 . 4.300 2.449 2.342 2.582 . 0 0 "[ . 1 . 2]" 1
2634 2 41 LEU H 2 41 LEU QD 3.800 . 4.300 2.741 1.919 3.304 . 0 0 "[ . 1 . 2]" 1
2635 2 41 LEU H 2 42 SER QB 4.500 . 5.000 4.607 4.288 4.990 . 0 0 "[ . 1 . 2]" 1
2636 2 41 LEU H 2 45 LEU QD 4.500 . 5.000 4.140 3.626 4.690 . 0 0 "[ . 1 . 2]" 1
2637 2 41 LEU HA 2 41 LEU QD 3.800 . 4.300 2.146 1.946 2.529 . 0 0 "[ . 1 . 2]" 1
2638 2 41 LEU HB2 2 45 LEU QD 3.800 . 4.300 2.972 2.106 3.453 . 0 0 "[ . 1 . 2]" 1
2639 2 41 LEU HB3 2 45 LEU QD 4.500 . 5.000 3.202 1.974 3.825 . 0 0 "[ . 1 . 2]" 1
2640 2 41 LEU QD 2 44 PHE H 4.500 . 5.000 3.973 3.498 4.706 . 0 0 "[ . 1 . 2]" 1
2641 2 41 LEU QD 2 44 PHE HE2 4.500 . 5.000 4.037 3.111 5.017 0.017 7 0 "[ . 1 . 2]" 1
2642 2 41 LEU QD 2 44 PHE HD2 3.800 . 4.300 3.036 2.111 3.746 . 0 0 "[ . 1 . 2]" 1
2643 2 41 LEU QD 2 45 LEU HG 4.500 . 5.000 4.371 3.820 4.965 . 0 0 "[ . 1 . 2]" 1
2644 2 41 LEU QD 2 45 LEU QD 3.800 . 4.300 3.556 2.552 3.982 . 0 0 "[ . 1 . 2]" 1
2645 2 41 LEU QD 2 78 VAL HA 3.800 . 4.300 2.479 2.244 3.222 . 0 0 "[ . 1 . 2]" 1
2646 2 41 LEU QD 2 78 VAL QG 3.800 . 4.300 2.398 2.201 2.660 . 0 0 "[ . 1 . 2]" 1
2647 2 41 LEU QD 2 81 LEU HB2 4.500 . 5.000 2.536 2.103 2.962 . 0 0 "[ . 1 . 2]" 1
2648 2 41 LEU QD 2 81 LEU HB3 4.500 . 5.000 2.796 2.264 3.224 . 0 0 "[ . 1 . 2]" 1
2649 2 41 LEU QD 2 81 LEU QD 3.800 . 4.300 2.200 1.880 3.055 . 0 0 "[ . 1 . 2]" 1
2650 2 41 LEU QD 2 82 THR H 4.500 . 5.000 4.001 3.310 4.371 . 0 0 "[ . 1 . 2]" 1
2651 2 42 SER H 2 45 LEU QD 4.500 . 5.000 3.852 3.356 4.339 . 0 0 "[ . 1 . 2]" 1
2652 2 42 SER HA 2 45 LEU QB 3.800 . 4.300 2.837 2.263 3.183 . 0 0 "[ . 1 . 2]" 1
2653 2 42 SER HA 2 45 LEU QD 3.800 . 4.300 2.425 2.135 3.548 . 0 0 "[ . 1 . 2]" 1
2654 2 43 GLY H 2 45 LEU QD 5.200 . 5.700 4.607 4.200 4.968 . 0 0 "[ . 1 . 2]" 1
2655 2 43 GLY QA 2 44 PHE H 3.800 . 4.300 2.677 2.435 2.809 . 0 0 "[ . 1 . 2]" 1
2656 2 44 PHE HA 2 85 CYS QB 4.500 . 5.000 4.126 3.627 4.804 . 0 0 "[ . 1 . 2]" 1
2657 2 44 PHE QB 2 45 LEU H 3.800 . 4.300 2.652 2.441 2.760 . 0 0 "[ . 1 . 2]" 1
2658 2 44 PHE QB 2 85 CYS QB 3.800 . 4.300 3.140 2.276 4.069 . 0 0 "[ . 1 . 2]" 1
2659 2 45 LEU HA 2 45 LEU QD 3.800 . 4.300 2.206 1.940 2.521 . 0 0 "[ . 1 . 2]" 1
2660 2 45 LEU HA 2 48 GLN QE 3.800 . 4.300 3.092 1.988 4.258 . 0 0 "[ . 1 . 2]" 1
2661 2 45 LEU HA 2 54 VAL QG 4.500 . 5.000 4.080 3.612 4.420 . 0 0 "[ . 1 . 2]" 1
2662 2 45 LEU QB 2 46 ASP H 3.800 . 4.300 2.873 2.662 3.117 . 0 0 "[ . 1 . 2]" 1
2663 2 45 LEU QB 2 48 GLN QE 4.500 . 5.000 3.565 2.353 4.874 . 0 0 "[ . 1 . 2]" 1
2664 2 45 LEU HG 2 81 LEU QD 5.200 . 5.700 3.734 3.290 4.200 . 0 0 "[ . 1 . 2]" 1
2665 2 45 LEU QD 2 46 ASP H 4.500 . 5.000 4.149 3.801 4.319 . 0 0 "[ . 1 . 2]" 1
2666 2 45 LEU QD 2 47 ALA H 5.200 . 5.700 4.925 4.410 5.438 . 0 0 "[ . 1 . 2]" 1
2667 2 45 LEU QD 2 48 GLN QE 3.800 . 4.300 2.463 1.837 3.629 . 0 0 "[ . 1 . 2]" 1
2668 2 45 LEU QD 2 54 VAL HB 4.500 . 5.000 4.454 3.805 5.012 0.012 19 0 "[ . 1 . 2]" 1
2669 2 45 LEU QD 2 54 VAL QG 3.800 . 4.300 2.412 1.912 2.867 . 0 0 "[ . 1 . 2]" 1
2670 2 45 LEU QD 2 81 LEU HB3 4.500 . 5.000 4.185 3.432 5.006 0.006 6 0 "[ . 1 . 2]" 1
2671 2 45 LEU QD 2 81 LEU HG 4.500 . 5.000 4.070 3.397 4.938 . 0 0 "[ . 1 . 2]" 1
2672 2 45 LEU QD 2 81 LEU QD 3.800 . 4.300 2.743 2.153 3.406 . 0 0 "[ . 1 . 2]" 1
2673 2 48 GLN HB2 2 51 VAL QG 4.500 . 5.000 3.827 3.099 4.781 . 0 0 "[ . 1 . 2]" 1
2674 2 48 GLN HB2 2 54 VAL QG 3.800 . 4.300 3.741 2.661 4.301 0.001 16 0 "[ . 1 . 2]" 1
2675 2 48 GLN HB3 2 54 VAL QG 4.500 . 5.000 3.011 2.568 3.394 . 0 0 "[ . 1 . 2]" 1
2676 2 48 GLN QE 2 54 VAL QG 3.800 . 4.300 2.549 1.830 3.543 . 0 0 "[ . 1 . 2]" 1
2677 2 49 LYS H 2 49 LYS QD 4.500 . 5.000 4.285 2.245 4.911 . 0 0 "[ . 1 . 2]" 1
2678 2 49 LYS HA 2 49 LYS QG 3.800 . 4.300 2.351 2.230 2.618 . 0 0 "[ . 1 . 2]" 1
2679 2 49 LYS HA 2 49 LYS QD 3.800 . 4.300 3.572 2.250 3.970 . 0 0 "[ . 1 . 2]" 1
2680 2 49 LYS QB 2 50 ASP H 3.800 . 4.300 2.774 2.237 3.282 . 0 0 "[ . 1 . 2]" 1
2681 2 49 LYS QG 2 50 ASP H 4.500 . 5.000 3.999 3.511 4.793 . 0 0 "[ . 1 . 2]" 1
2682 2 49 LYS QE 2 87 ASN HA 4.500 . 5.000 4.388 2.423 5.008 0.008 14 0 "[ . 1 . 2]" 1
2683 2 50 ASP H 2 54 VAL QG 4.500 . 5.000 4.289 3.662 4.740 . 0 0 "[ . 1 . 2]" 1
2684 2 50 ASP HA 2 51 VAL QG 3.800 . 4.300 3.750 3.605 4.097 . 0 0 "[ . 1 . 2]" 1
2685 2 50 ASP QB 2 51 VAL H 3.800 . 4.300 3.921 3.732 4.049 . 0 0 "[ . 1 . 2]" 1
2686 2 50 ASP QB 2 53 ALA MB 3.800 . 4.300 2.934 2.202 3.675 . 0 0 "[ . 1 . 2]" 1
2687 2 50 ASP QB 2 84 ALA HA 3.800 . 4.300 2.958 2.510 3.660 . 0 0 "[ . 1 . 2]" 1
2688 2 50 ASP QB 2 84 ALA MB 3.800 . 4.300 2.555 2.198 2.976 . 0 0 "[ . 1 . 2]" 1
2689 2 50 ASP QB 2 90 TRP HZ2 3.800 . 4.300 3.379 2.568 4.081 . 0 0 "[ . 1 . 2]" 1
2690 2 50 ASP QB 2 90 TRP HH2 4.500 . 5.000 3.837 2.540 4.903 . 0 0 "[ . 1 . 2]" 1
2691 2 51 VAL H 2 51 VAL QG 3.800 . 4.300 2.140 1.897 2.596 . 0 0 "[ . 1 . 2]" 1
2692 2 51 VAL H 2 52 ASP QB 4.500 . 5.000 4.415 3.944 4.873 . 0 0 "[ . 1 . 2]" 1
2693 2 51 VAL HA 2 51 VAL QG 2.800 . 3.300 2.199 2.045 2.282 . 0 0 "[ . 1 . 2]" 1
2694 2 51 VAL HA 2 54 VAL QG 3.800 . 4.300 2.569 2.110 3.014 . 0 0 "[ . 1 . 2]" 1
2695 2 51 VAL QG 2 52 ASP H 2.800 . 3.300 2.332 1.937 3.300 0.000 15 0 "[ . 1 . 2]" 1
2696 2 51 VAL QG 2 52 ASP HA 3.800 . 4.300 3.015 2.893 3.398 . 0 0 "[ . 1 . 2]" 1
2697 2 51 VAL QG 2 52 ASP QB 4.500 . 5.000 3.490 3.064 4.504 . 0 0 "[ . 1 . 2]" 1
2698 2 51 VAL QG 2 54 VAL HB 3.800 . 4.300 2.725 2.209 3.184 . 0 0 "[ . 1 . 2]" 1
2699 2 51 VAL QG 2 54 VAL QG 4.500 . 5.000 3.052 2.614 3.465 . 0 0 "[ . 1 . 2]" 1
2700 2 51 VAL QG 2 55 ASP H 4.500 . 5.000 3.264 2.854 3.509 . 0 0 "[ . 1 . 2]" 1
2701 2 51 VAL QG 2 55 ASP HA 4.500 . 5.000 4.194 3.773 4.788 . 0 0 "[ . 1 . 2]" 1
2702 2 51 VAL QG 2 55 ASP HB2 4.500 . 5.000 2.936 2.205 3.973 . 0 0 "[ . 1 . 2]" 1
2703 2 51 VAL QG 2 55 ASP HB3 4.500 . 5.000 3.916 3.152 4.485 . 0 0 "[ . 1 . 2]" 1
2704 2 52 ASP H 2 52 ASP QB 2.800 . 3.300 2.324 2.228 2.586 . 0 0 "[ . 1 . 2]" 1
2705 2 53 ALA H 2 54 VAL QG 4.500 . 5.000 3.831 3.631 4.082 . 0 0 "[ . 1 . 2]" 1
2706 2 53 ALA HA 2 54 VAL QG 4.500 . 5.000 4.704 4.562 4.814 . 0 0 "[ . 1 . 2]" 1
2707 2 53 ALA HA 2 56 LYS QB 3.800 . 4.300 3.004 2.295 4.086 . 0 0 "[ . 1 . 2]" 1
2708 2 53 ALA HA 2 56 LYS QD 4.500 . 5.000 2.937 2.303 3.553 . 0 0 "[ . 1 . 2]" 1
2709 2 53 ALA HA 2 57 VAL QG 5.200 . 5.700 4.427 3.830 5.452 . 0 0 "[ . 1 . 2]" 1
2710 2 53 ALA MB 2 54 VAL QG 3.800 . 4.300 3.033 2.853 3.207 . 0 0 "[ . 1 . 2]" 1
2711 2 53 ALA MB 2 56 LYS QG 4.500 . 5.000 4.693 3.955 5.027 0.027 12 0 "[ . 1 . 2]" 1
2712 2 53 ALA MB 2 57 VAL QG 4.500 . 5.000 3.933 3.183 4.846 . 0 0 "[ . 1 . 2]" 1
2713 2 53 ALA MB 2 81 LEU QD 4.500 . 5.000 4.493 3.898 5.034 0.034 13 0 "[ . 1 . 2]" 1
2714 2 54 VAL H 2 54 VAL QG 2.800 . 3.300 2.086 1.849 2.363 . 0 0 "[ . 1 . 2]" 1
2715 2 54 VAL HA 2 57 VAL QG 3.800 . 4.300 3.071 2.142 3.683 . 0 0 "[ . 1 . 2]" 1
2716 2 54 VAL HA 2 81 LEU QD 3.800 . 4.300 3.243 2.379 3.547 . 0 0 "[ . 1 . 2]" 1
2717 2 54 VAL HB 2 81 LEU QD 5.200 . 5.700 4.789 4.093 5.503 . 0 0 "[ . 1 . 2]" 1
2718 2 54 VAL QG 2 55 ASP HA 4.500 . 5.000 3.505 3.322 3.772 . 0 0 "[ . 1 . 2]" 1
2719 2 54 VAL QG 2 57 VAL QG 3.800 . 4.300 3.475 2.611 4.006 . 0 0 "[ . 1 . 2]" 1
2720 2 54 VAL QG 2 58 MET H 4.500 . 5.000 3.850 3.420 4.254 . 0 0 "[ . 1 . 2]" 1
2721 2 54 VAL QG 2 58 MET HG2 3.800 . 4.300 2.721 2.274 3.188 . 0 0 "[ . 1 . 2]" 1
2722 2 54 VAL QG 2 58 MET HG3 4.500 . 5.000 2.704 2.189 3.619 . 0 0 "[ . 1 . 2]" 1
2723 2 54 VAL QG 2 58 MET ME 3.800 . 4.300 2.610 2.115 3.037 . 0 0 "[ . 1 . 2]" 1
2724 2 54 VAL QG 2 81 LEU H 5.200 . 5.700 4.964 4.300 5.578 . 0 0 "[ . 1 . 2]" 1
2725 2 54 VAL QG 2 81 LEU HA 3.800 . 4.300 3.088 2.518 3.622 . 0 0 "[ . 1 . 2]" 1
2726 2 54 VAL QG 2 81 LEU QD 2.800 . 3.300 2.444 1.904 3.141 . 0 0 "[ . 1 . 2]" 1
2727 2 54 VAL QG 2 84 ALA H 4.500 . 5.000 4.667 4.315 5.012 0.012 6 0 "[ . 1 . 2]" 1
2728 2 54 VAL QG 2 84 ALA HA 4.500 . 5.000 4.707 4.200 4.993 . 0 0 "[ . 1 . 2]" 1
2729 2 54 VAL QG 2 84 ALA MB 3.800 . 4.300 2.416 2.029 2.651 . 0 0 "[ . 1 . 2]" 1
2730 2 55 ASP H 2 56 LYS QB 4.500 . 5.000 4.509 4.165 4.793 . 0 0 "[ . 1 . 2]" 1
2731 2 55 ASP HA 2 58 MET QB 4.500 . 5.000 2.376 2.265 3.598 . 0 0 "[ . 1 . 2]" 1
2732 2 55 ASP HB3 2 56 LYS QB 4.500 . 5.000 4.383 4.044 4.873 . 0 0 "[ . 1 . 2]" 1
2733 2 56 LYS H 2 56 LYS QB 2.800 . 3.300 2.305 2.243 2.453 . 0 0 "[ . 1 . 2]" 1
2734 2 56 LYS H 2 56 LYS QG 3.800 . 4.300 3.121 2.079 3.953 . 0 0 "[ . 1 . 2]" 1
2735 2 56 LYS H 2 56 LYS QD 4.500 . 5.000 4.034 3.402 4.434 . 0 0 "[ . 1 . 2]" 1
2736 2 56 LYS H 2 57 VAL QG 4.500 . 5.000 4.043 3.400 4.265 . 0 0 "[ . 1 . 2]" 1
2737 2 56 LYS HA 2 59 LYS QE 4.500 . 5.000 3.013 2.297 3.829 . 0 0 "[ . 1 . 2]" 1
2738 2 56 LYS QB 2 57 VAL QG 4.500 . 5.000 3.191 2.727 4.143 . 0 0 "[ . 1 . 2]" 1
2739 2 56 LYS QG 2 57 VAL QG 4.500 . 5.000 3.316 2.075 4.704 . 0 0 "[ . 1 . 2]" 1
2740 2 56 LYS QD 2 57 VAL H 4.500 . 5.000 4.581 3.993 4.870 . 0 0 "[ . 1 . 2]" 1
2741 2 56 LYS QD 2 57 VAL QG 4.500 . 5.000 3.940 3.526 4.502 . 0 0 "[ . 1 . 2]" 1
2742 2 57 VAL H 2 57 VAL QG 2.800 . 3.300 2.221 1.742 2.415 0.058 5 0 "[ . 1 . 2]" 1
2743 2 57 VAL HA 2 77 LEU QD 4.500 . 5.000 4.326 3.909 4.708 . 0 0 "[ . 1 . 2]" 1
2744 2 57 VAL HB 2 77 LEU QD 4.500 . 5.000 4.255 2.422 4.732 . 0 0 "[ . 1 . 2]" 1
2745 2 57 VAL HB 2 81 LEU QD 3.800 . 4.300 3.234 2.720 3.881 . 0 0 "[ . 1 . 2]" 1
2746 2 57 VAL QG 2 58 MET H 3.800 . 4.300 3.017 2.046 3.331 . 0 0 "[ . 1 . 2]" 1
2747 2 57 VAL QG 2 58 MET HA 3.800 . 4.300 3.359 3.098 3.630 . 0 0 "[ . 1 . 2]" 1
2748 2 57 VAL QG 2 58 MET QB 4.500 . 5.000 4.282 3.409 4.598 . 0 0 "[ . 1 . 2]" 1
2749 2 57 VAL QG 2 58 MET HG2 4.500 . 5.000 3.406 2.211 3.901 . 0 0 "[ . 1 . 2]" 1
2750 2 57 VAL QG 2 58 MET ME 3.800 . 4.300 3.043 2.565 3.767 . 0 0 "[ . 1 . 2]" 1
2751 2 57 VAL QG 2 59 LYS H 4.500 . 5.000 4.589 4.111 4.848 . 0 0 "[ . 1 . 2]" 1
2752 2 57 VAL QG 2 60 GLU H 4.500 . 5.000 4.251 4.103 4.565 . 0 0 "[ . 1 . 2]" 1
2753 2 57 VAL QG 2 61 LEU HG 4.500 . 5.000 3.530 3.069 4.787 . 0 0 "[ . 1 . 2]" 1
2754 2 57 VAL QG 2 61 LEU QD 3.800 . 4.300 2.962 2.292 4.021 . 0 0 "[ . 1 . 2]" 1
2755 2 57 VAL QG 2 77 LEU HB2 4.500 . 5.000 4.589 4.309 5.029 0.029 7 0 "[ . 1 . 2]" 1
2756 2 57 VAL QG 2 77 LEU HB3 4.500 . 5.000 3.237 2.898 3.760 . 0 0 "[ . 1 . 2]" 1
2757 2 57 VAL QG 2 77 LEU HG 4.500 . 5.000 4.647 4.402 5.003 0.003 5 0 "[ . 1 . 2]" 1
2758 2 57 VAL QG 2 77 LEU QD 2.800 . 3.300 2.278 2.048 2.611 . 0 0 "[ . 1 . 2]" 1
2759 2 57 VAL QG 2 80 ALA MB 3.800 . 4.300 2.789 2.304 3.195 . 0 0 "[ . 1 . 2]" 1
2760 2 57 VAL QG 2 81 LEU H 4.500 . 5.000 4.426 4.007 4.726 . 0 0 "[ . 1 . 2]" 1
2761 2 57 VAL QG 2 81 LEU HG 4.500 . 5.000 4.011 3.443 4.383 . 0 0 "[ . 1 . 2]" 1
2762 2 57 VAL QG 2 81 LEU QD 2.800 . 3.300 2.291 1.932 2.841 . 0 0 "[ . 1 . 2]" 1
2763 2 58 MET H 2 61 LEU QD 4.500 . 5.000 4.871 4.443 5.014 0.014 4 0 "[ . 1 . 2]" 1
2764 2 58 MET H 2 81 LEU QD 4.500 . 5.000 4.869 4.466 5.014 0.014 17 0 "[ . 1 . 2]" 1
2765 2 58 MET HA 2 61 LEU QD 3.800 . 4.300 3.052 2.467 3.311 . 0 0 "[ . 1 . 2]" 1
2766 2 58 MET QB 2 59 LYS H 3.800 . 4.300 2.500 2.355 2.876 . 0 0 "[ . 1 . 2]" 1
2767 2 58 MET HG2 2 81 LEU QD 4.500 . 5.000 4.096 3.814 4.369 . 0 0 "[ . 1 . 2]" 1
2768 2 59 LYS H 2 59 LYS QE 4.500 . 5.000 4.420 3.995 4.763 . 0 0 "[ . 1 . 2]" 1
2769 2 59 LYS HA 2 59 LYS QE 5.200 . 5.700 5.000 4.527 5.473 . 0 0 "[ . 1 . 2]" 1
2770 2 59 LYS HA 2 62 ASP QB 3.800 . 4.300 2.415 2.226 2.745 . 0 0 "[ . 1 . 2]" 1
2771 2 59 LYS HB2 2 59 LYS QE 4.500 . 5.000 3.910 3.215 4.049 . 0 0 "[ . 1 . 2]" 1
2772 2 59 LYS HB2 2 62 ASP QB 4.500 . 5.000 3.738 3.428 4.958 . 0 0 "[ . 1 . 2]" 1
2773 2 59 LYS HB3 2 62 ASP QB 4.500 . 5.000 4.474 4.260 5.016 0.016 2 0 "[ . 1 . 2]" 1
2774 2 59 LYS QE 2 60 GLU HB2 4.500 . 5.000 2.845 2.270 4.573 . 0 0 "[ . 1 . 2]" 1
2775 2 59 LYS QE 2 60 GLU QG 5.200 . 5.700 3.799 3.215 5.646 . 0 0 "[ . 1 . 2]" 1
2776 2 60 GLU H 2 62 ASP QB 5.200 . 5.700 4.678 4.475 4.817 . 0 0 "[ . 1 . 2]" 1
2777 2 60 GLU QG 2 61 LEU H 4.500 . 5.000 3.653 3.502 3.975 . 0 0 "[ . 1 . 2]" 1
2778 2 61 LEU H 2 61 LEU QD 3.800 . 4.300 2.810 2.496 2.977 . 0 0 "[ . 1 . 2]" 1
2779 2 61 LEU H 2 62 ASP QB 4.500 . 5.000 4.259 4.182 4.424 . 0 0 "[ . 1 . 2]" 1
2780 2 61 LEU HA 2 61 LEU QD 3.800 . 4.300 2.121 2.059 2.224 . 0 0 "[ . 1 . 2]" 1
2781 2 61 LEU QD 2 62 ASP H 4.500 . 5.000 4.061 3.953 4.122 . 0 0 "[ . 1 . 2]" 1
2782 2 61 LEU QD 2 69 VAL QG 3.800 . 4.300 3.385 3.107 3.771 . 0 0 "[ . 1 . 2]" 1
2783 2 61 LEU QD 2 77 LEU QD 3.800 . 4.300 2.792 2.121 3.195 . 0 0 "[ . 1 . 2]" 1
2784 2 62 ASP H 2 62 ASP QB 2.800 . 3.300 2.220 2.176 2.247 . 0 0 "[ . 1 . 2]" 1
2785 2 62 ASP QB 2 63 GLU H 3.800 . 4.300 2.562 2.376 2.674 . 0 0 "[ . 1 . 2]" 1
2786 2 62 ASP QB 2 63 GLU QG 4.500 . 5.000 3.296 2.882 4.375 . 0 0 "[ . 1 . 2]" 1
2787 2 63 GLU H 2 63 GLU QG 3.800 . 4.300 2.243 1.867 3.453 . 0 0 "[ . 1 . 2]" 1
2788 2 63 GLU HB2 2 64 ASN QD 4.500 . 5.000 4.041 2.632 4.987 . 0 0 "[ . 1 . 2]" 1
2789 2 63 GLU HB3 2 64 ASN QD 4.500 . 5.000 3.850 2.203 4.888 . 0 0 "[ . 1 . 2]" 1
2790 2 63 GLU QG 2 64 ASN H 4.500 . 5.000 3.946 3.707 4.106 . 0 0 "[ . 1 . 2]" 1
2791 2 65 GLY QA 2 67 GLY H 4.500 . 5.000 3.666 3.376 3.974 . 0 0 "[ . 1 . 2]" 1
2792 2 66 ASP H 2 66 ASP QB 2.800 . 3.300 2.435 2.235 2.739 . 0 0 "[ . 1 . 2]" 1
2793 2 66 ASP H 2 67 GLY QA 4.500 . 5.000 4.308 3.619 4.593 . 0 0 "[ . 1 . 2]" 1
2794 2 66 ASP QB 2 67 GLY H 3.800 . 4.300 3.220 2.687 3.937 . 0 0 "[ . 1 . 2]" 1
2795 2 68 GLU H 2 68 GLU QG 3.800 . 4.300 2.383 2.112 3.444 . 0 0 "[ . 1 . 2]" 1
2796 2 68 GLU QB 2 69 VAL H 3.800 . 4.300 2.374 1.946 3.012 . 0 0 "[ . 1 . 2]" 1
2797 2 68 GLU QG 2 69 VAL H 3.800 . 4.300 3.697 2.988 4.085 . 0 0 "[ . 1 . 2]" 1
2798 2 69 VAL QG 2 77 LEU QD 4.500 . 5.000 3.121 2.925 3.537 . 0 0 "[ . 1 . 2]" 1
2799 2 69 VAL QG 2 74 TYR QB 4.500 . 5.000 3.790 3.316 4.128 . 0 0 "[ . 1 . 2]" 1
2800 2 70 ASP QB 2 71 PHE H 3.800 . 4.300 2.305 1.976 3.029 . 0 0 "[ . 1 . 2]" 1
2801 2 70 ASP QB 2 72 GLN H 3.800 . 4.300 2.993 2.808 3.309 . 0 0 "[ . 1 . 2]" 1
2802 2 71 PHE HD1 2 75 VAL QG 4.500 . 5.000 4.176 3.809 4.907 . 0 0 "[ . 1 . 2]" 1
2803 2 71 PHE HE1 2 75 VAL QG 4.500 . 5.000 3.590 3.192 4.319 . 0 0 "[ . 1 . 2]" 1
2804 2 71 PHE HZ 2 75 VAL QG 4.500 . 5.000 2.940 2.735 3.234 . 0 0 "[ . 1 . 2]" 1
2805 2 71 PHE HE2 2 75 VAL QG 4.500 . 5.000 2.953 2.497 3.383 . 0 0 "[ . 1 . 2]" 1
2806 2 71 PHE HD2 2 75 VAL QG 4.500 . 5.000 3.793 3.467 4.138 . 0 0 "[ . 1 . 2]" 1
2807 2 72 GLN HA 2 75 VAL QG 3.800 . 4.300 2.928 2.737 3.181 . 0 0 "[ . 1 . 2]" 1
2808 2 72 GLN HB2 2 72 GLN QE 3.800 . 4.300 2.409 1.860 3.957 . 0 0 "[ . 1 . 2]" 1
2809 2 72 GLN HB2 2 76 VAL QG 4.500 . 5.000 3.704 3.357 5.012 0.012 9 0 "[ . 1 . 2]" 1
2810 2 72 GLN HG3 2 76 VAL QG 4.500 . 5.000 4.349 3.732 5.038 0.038 16 0 "[ . 1 . 2]" 1
2811 2 73 GLU H 2 76 VAL QG 4.500 . 5.000 4.106 3.533 4.876 . 0 0 "[ . 1 . 2]" 1
2812 2 73 GLU HA 2 76 VAL QG 3.800 . 4.300 2.354 2.237 2.665 . 0 0 "[ . 1 . 2]" 1
2813 2 73 GLU HG2 2 76 VAL QG 4.500 . 5.000 3.889 3.536 4.169 . 0 0 "[ . 1 . 2]" 1
2814 2 74 TYR H 2 75 VAL QG 4.500 . 5.000 4.108 3.953 4.312 . 0 0 "[ . 1 . 2]" 1
2815 2 74 TYR HA 2 77 LEU QD 4.500 . 5.000 2.757 2.323 3.172 . 0 0 "[ . 1 . 2]" 1
2816 2 74 TYR HA 2 78 VAL QG 5.200 . 5.700 3.781 3.660 3.898 . 0 0 "[ . 1 . 2]" 1
2817 2 74 TYR QB 2 75 VAL H 3.800 . 4.300 2.916 2.674 3.038 . 0 0 "[ . 1 . 2]" 1
2818 2 74 TYR QB 2 75 VAL QG 4.500 . 5.000 3.409 3.179 3.576 . 0 0 "[ . 1 . 2]" 1
2819 2 74 TYR QD 2 78 VAL QG 4.500 . 5.000 3.180 3.016 3.343 . 0 0 "[ . 1 . 2]" 1
2820 2 74 TYR QE 2 75 VAL QG 3.800 . 4.300 3.550 3.022 3.863 . 0 0 "[ . 1 . 2]" 1
2821 2 74 TYR QD 2 75 VAL QG 3.800 . 4.300 2.532 2.252 2.797 . 0 0 "[ . 1 . 2]" 1
2822 2 75 VAL H 2 75 VAL QG 2.800 . 3.300 2.448 2.380 2.493 . 0 0 "[ . 1 . 2]" 1
2823 2 75 VAL H 2 76 VAL QG 4.500 . 5.000 3.709 3.546 4.178 . 0 0 "[ . 1 . 2]" 1
2824 2 75 VAL H 2 78 VAL QG 4.500 . 5.000 3.885 3.855 3.948 . 0 0 "[ . 1 . 2]" 1
2825 2 75 VAL HA 2 76 VAL QG 5.200 . 5.700 4.701 4.609 4.953 . 0 0 "[ . 1 . 2]" 1
2826 2 75 VAL HA 2 78 VAL QG 3.800 . 4.300 2.003 1.997 2.021 . 0 0 "[ . 1 . 2]" 1
2827 2 75 VAL HB 2 76 VAL QG 4.500 . 5.000 3.489 3.254 4.605 . 0 0 "[ . 1 . 2]" 1
2828 2 75 VAL QG 2 76 VAL H 3.800 . 4.300 3.355 3.341 3.367 . 0 0 "[ . 1 . 2]" 1
2829 2 75 VAL QG 2 76 VAL HA 4.500 . 5.000 3.430 3.407 3.448 . 0 0 "[ . 1 . 2]" 1
2830 2 75 VAL QG 2 76 VAL HB 5.200 . 5.700 4.942 4.188 5.038 . 0 0 "[ . 1 . 2]" 1
2831 2 75 VAL QG 2 76 VAL QG 3.800 . 4.300 3.281 3.186 3.950 . 0 0 "[ . 1 . 2]" 1
2832 2 75 VAL QG 2 78 VAL QG 3.800 . 4.300 2.649 2.609 2.676 . 0 0 "[ . 1 . 2]" 1
2833 2 76 VAL H 2 76 VAL QG 2.800 . 3.300 2.227 2.050 2.477 . 0 0 "[ . 1 . 2]" 1
2834 2 76 VAL HB 2 77 LEU QD 4.500 . 5.000 3.420 2.759 4.801 . 0 0 "[ . 1 . 2]" 1
2835 2 76 VAL QG 2 77 LEU H 3.800 . 4.300 3.119 2.082 3.287 . 0 0 "[ . 1 . 2]" 1
2836 2 76 VAL QG 2 77 LEU HA 3.800 . 4.300 3.450 3.049 3.651 . 0 0 "[ . 1 . 2]" 1
2837 2 76 VAL QG 2 77 LEU HG 4.500 . 5.000 3.684 2.217 3.913 . 0 0 "[ . 1 . 2]" 1
2838 2 76 VAL QG 2 77 LEU QD 4.500 . 5.000 3.060 2.368 3.553 . 0 0 "[ . 1 . 2]" 1
2839 2 76 VAL QG 2 79 ALA MB 4.500 . 5.000 3.447 3.343 3.593 . 0 0 "[ . 1 . 2]" 1
2840 2 76 VAL QG 2 80 ALA H 4.500 . 5.000 4.163 3.861 4.356 . 0 0 "[ . 1 . 2]" 1
2841 2 76 VAL QG 2 80 ALA MB 3.800 . 4.300 3.567 3.222 3.799 . 0 0 "[ . 1 . 2]" 1
2842 2 77 LEU H 2 77 LEU QD 3.800 . 4.300 2.838 2.406 3.100 . 0 0 "[ . 1 . 2]" 1
2843 2 77 LEU H 2 78 VAL QG 4.500 . 5.000 3.404 3.196 3.502 . 0 0 "[ . 1 . 2]" 1
2844 2 77 LEU HA 2 77 LEU QD 3.800 . 4.300 2.099 2.029 2.219 . 0 0 "[ . 1 . 2]" 1
2845 2 77 LEU HA 2 81 LEU QD 5.200 . 5.700 3.502 3.283 4.323 . 0 0 "[ . 1 . 2]" 1
2846 2 77 LEU HB2 2 78 VAL QG 4.500 . 5.000 3.050 2.940 3.141 . 0 0 "[ . 1 . 2]" 1
2847 2 77 LEU HB3 2 78 VAL QG 5.200 . 5.700 4.050 3.935 4.149 . 0 0 "[ . 1 . 2]" 1
2848 2 77 LEU HG 2 81 LEU QD 5.200 . 5.700 5.312 5.039 5.713 0.013 12 0 "[ . 1 . 2]" 1
2849 2 77 LEU QD 2 78 VAL H 4.500 . 5.000 3.837 3.709 3.923 . 0 0 "[ . 1 . 2]" 1
2850 2 77 LEU QD 2 80 ALA MB 3.800 . 4.300 3.316 3.128 3.531 . 0 0 "[ . 1 . 2]" 1
2851 2 77 LEU QD 2 81 LEU QD 4.500 . 5.000 3.432 3.137 3.832 . 0 0 "[ . 1 . 2]" 1
2852 2 78 VAL H 2 78 VAL QG 2.800 . 3.300 1.780 1.755 1.806 0.045 9 0 "[ . 1 . 2]" 1
2853 2 78 VAL HA 2 78 VAL QG 2.800 . 3.300 2.242 2.164 2.319 . 0 0 "[ . 1 . 2]" 1
2854 2 78 VAL HA 2 81 LEU QD 4.500 . 5.000 3.226 2.601 3.779 . 0 0 "[ . 1 . 2]" 1
2855 2 78 VAL QG 2 79 ALA H 3.800 . 4.300 2.069 1.900 2.308 . 0 0 "[ . 1 . 2]" 1
2856 2 78 VAL QG 2 79 ALA HA 4.500 . 5.000 3.356 3.230 3.482 . 0 0 "[ . 1 . 2]" 1
2857 2 78 VAL QG 2 79 ALA MB 4.500 . 5.000 2.847 2.757 2.971 . 0 0 "[ . 1 . 2]" 1
2858 2 79 ALA HA 2 83 VAL QG 4.500 . 5.000 3.962 3.483 4.251 . 0 0 "[ . 1 . 2]" 1
2859 2 80 ALA H 2 83 VAL QG 4.500 . 5.000 4.640 4.471 4.728 . 0 0 "[ . 1 . 2]" 1
2860 2 80 ALA HA 2 83 VAL QG 3.800 . 4.300 3.190 2.898 3.462 . 0 0 "[ . 1 . 2]" 1
2861 2 80 ALA MB 2 81 LEU QD 3.800 . 4.300 2.223 2.046 2.883 . 0 0 "[ . 1 . 2]" 1
2862 2 80 ALA MB 2 83 VAL QG 4.500 . 5.000 4.265 4.085 4.458 . 0 0 "[ . 1 . 2]" 1
2863 2 81 LEU H 2 81 LEU QD 3.800 . 4.300 1.916 1.791 2.848 0.009 18 0 "[ . 1 . 2]" 1
2864 2 81 LEU H 2 83 VAL QG 4.500 . 5.000 4.996 4.945 5.015 0.015 20 0 "[ . 1 . 2]" 1
2865 2 81 LEU HA 2 81 LEU QD 3.800 . 4.300 2.402 1.945 2.606 . 0 0 "[ . 1 . 2]" 1
2866 2 81 LEU QD 2 82 THR H 4.500 . 5.000 3.728 3.648 4.064 . 0 0 "[ . 1 . 2]" 1
2867 2 81 LEU QD 2 84 ALA MB 4.500 . 5.000 3.816 2.985 4.155 . 0 0 "[ . 1 . 2]" 1
2868 2 82 THR H 2 83 VAL QG 4.500 . 5.000 4.112 4.040 4.195 . 0 0 "[ . 1 . 2]" 1
2869 2 82 THR MG 2 83 VAL QG 4.500 . 5.000 3.458 3.166 3.561 . 0 0 "[ . 1 . 2]" 1
2870 2 83 VAL H 2 83 VAL QG 2.800 . 3.300 2.097 1.971 2.244 . 0 0 "[ . 1 . 2]" 1
2871 2 83 VAL QG 2 84 ALA H 3.800 . 4.300 3.193 3.072 3.283 . 0 0 "[ . 1 . 2]" 1
2872 2 83 VAL QG 2 84 ALA HA 4.500 . 5.000 3.438 3.287 3.585 . 0 0 "[ . 1 . 2]" 1
2873 2 83 VAL QG 2 84 ALA MB 4.500 . 5.000 3.911 3.687 4.074 . 0 0 "[ . 1 . 2]" 1
2874 2 83 VAL QG 2 85 CYS H 4.500 . 5.000 4.551 4.352 4.673 . 0 0 "[ . 1 . 2]" 1
2875 2 83 VAL QG 2 89 PHE HB2 4.500 . 5.000 2.807 2.194 3.645 . 0 0 "[ . 1 . 2]" 1
2876 2 83 VAL QG 2 89 PHE HB3 4.500 . 5.000 3.466 3.002 4.333 . 0 0 "[ . 1 . 2]" 1
2877 2 83 VAL QG 2 89 PHE HE2 4.500 . 5.000 3.852 3.246 4.357 . 0 0 "[ . 1 . 2]" 1
2878 2 83 VAL QG 2 89 PHE HD2 3.800 . 4.300 2.920 2.456 3.434 . 0 0 "[ . 1 . 2]" 1
2879 2 83 VAL QG 2 90 TRP HE1 3.800 . 4.300 2.382 1.869 2.942 . 0 0 "[ . 1 . 2]" 1
2880 2 83 VAL QG 2 90 TRP HZ2 4.500 . 5.000 3.364 2.621 3.966 . 0 0 "[ . 1 . 2]" 1
2881 2 85 CYS QB 2 86 ASN H 4.500 . 5.000 2.555 2.165 2.857 . 0 0 "[ . 1 . 2]" 1
2882 2 87 ASN QB 2 88 PHE H 4.500 . 5.000 3.559 1.912 4.054 . 0 0 "[ . 1 . 2]" 1
2883 2 90 TRP H 2 91 GLU QG 4.500 . 5.000 4.361 3.372 5.012 0.012 10 0 "[ . 1 . 2]" 1
2884 2 91 GLU H 2 91 GLU QG 3.800 . 4.300 2.599 2.009 3.137 . 0 0 "[ . 1 . 2]" 1
2885 2 91 GLU QB 2 93 SER H 4.500 . 5.000 3.050 2.241 4.133 . 0 0 "[ . 1 . 2]" 1
2886 2 91 GLU QB 2 93 SER QB 4.500 . 5.000 4.055 2.749 4.975 . 0 0 "[ . 1 . 2]" 1
2887 2 27 LYS H 2 27 LYS HG3 4.500 . 5.000 3.095 2.031 4.713 . 0 0 "[ . 1 . 2]" 1
2888 2 33 LEU HB3 2 34 LYS H 4.500 . 5.000 2.589 2.085 2.833 . 0 0 "[ . 1 . 2]" 1
2889 2 33 LEU HB3 2 61 LEU MD1 5.200 . 5.700 2.856 2.349 3.576 . 0 0 "[ . 1 . 2]" 1
2890 2 33 LEU HB3 2 61 LEU MD2 5.200 . 5.700 3.274 2.644 3.671 . 0 0 "[ . 1 . 2]" 1
2891 2 29 SER H 2 32 GLN HG3 3.800 . 4.300 4.152 3.459 4.313 0.013 15 0 "[ . 1 . 2]" 1
2892 2 32 GLN H 2 32 GLN HG2 3.800 . 4.300 2.966 2.043 3.481 . 0 0 "[ . 1 . 2]" 1
2893 2 32 GLN HG2 2 33 LEU H 4.500 . 5.000 4.725 4.159 5.022 0.022 13 0 "[ . 1 . 2]" 1
2894 2 64 ASN HB2 2 64 ASN HD22 3.800 . 4.300 3.874 3.508 4.120 . 0 0 "[ . 1 . 2]" 1
2895 2 64 ASN HB2 2 65 GLY H 4.500 . 5.000 3.682 1.865 4.510 . 0 0 "[ . 1 . 2]" 1
2896 2 64 ASN HB3 2 67 GLY H 4.500 . 5.000 3.186 2.566 3.731 . 0 0 "[ . 1 . 2]" 1
2897 2 63 GLU HB2 2 64 ASN HB2 4.500 . 5.000 4.290 4.028 4.701 . 0 0 "[ . 1 . 2]" 1
2898 2 63 GLU HB3 2 64 ASN HB2 5.200 . 5.700 5.028 4.472 5.663 . 0 0 "[ . 1 . 2]" 1
2899 2 24 ASP QB 2 27 LYS HG3 4.500 . 5.000 3.745 2.798 5.011 0.011 13 0 "[ . 1 . 2]" 1
2900 2 27 LYS QB 2 28 LEU H 3.800 . 4.300 2.316 1.802 3.685 . 0 0 "[ . 1 . 2]" 1
2901 2 27 LYS QB 2 68 GLU QB 4.500 . 5.000 3.183 2.473 4.492 . 0 0 "[ . 1 . 2]" 1
2902 2 27 LYS HG2 2 68 GLU QB 4.500 . 5.000 4.198 2.721 5.006 0.006 8 0 "[ . 1 . 2]" 1
2903 2 28 LEU QD 2 32 GLN HG2 4.500 . 5.000 4.425 3.820 4.858 . 0 0 "[ . 1 . 2]" 1
2904 2 28 LEU QD 2 32 GLN HG3 4.500 . 5.000 3.960 3.561 4.302 . 0 0 "[ . 1 . 2]" 1
2905 2 28 LEU QD 2 33 LEU QB 4.500 . 5.000 2.568 2.252 3.473 . 0 0 "[ . 1 . 2]" 1
2906 2 29 SER H 2 33 LEU QB 5.200 . 5.700 5.081 3.934 5.518 . 0 0 "[ . 1 . 2]" 1
2907 2 33 LEU QB 2 34 LYS H 3.800 . 4.300 2.547 2.066 2.771 . 0 0 "[ . 1 . 2]" 1
2908 2 33 LEU QB 2 61 LEU QD 4.500 . 5.000 2.594 2.287 2.833 . 0 0 "[ . 1 . 2]" 1
2909 2 33 LEU HB2 2 61 LEU MD1 5.200 . 5.700 4.338 3.802 5.014 . 0 0 "[ . 1 . 2]" 1
2910 2 33 LEU HB2 2 61 LEU MD2 5.200 . 5.700 4.404 3.864 4.785 . 0 0 "[ . 1 . 2]" 1
2911 2 33 LEU QB 2 69 VAL QG 3.800 . 4.300 2.792 2.552 2.992 . 0 0 "[ . 1 . 2]" 1
2912 2 34 LYS H 2 61 LEU QB 4.500 . 5.000 3.895 3.536 4.110 . 0 0 "[ . 1 . 2]" 1
2913 2 34 LYS HB3 2 61 LEU QB 4.500 . 5.000 3.548 2.116 4.349 . 0 0 "[ . 1 . 2]" 1
2914 2 34 LYS HG3 2 38 GLN QE 4.500 . 5.000 2.857 2.144 3.547 . 0 0 "[ . 1 . 2]" 1
2915 2 34 LYS QE 2 38 GLN QE 4.500 . 5.000 3.118 2.047 4.383 . 0 0 "[ . 1 . 2]" 1
2916 2 35 GLU HA 2 38 GLN QE 4.500 . 5.000 3.127 1.836 4.647 . 0 0 "[ . 1 . 2]" 1
2917 2 38 GLN QE 2 45 LEU QD 5.200 . 5.700 4.209 3.047 4.934 . 0 0 "[ . 1 . 2]" 1
2918 2 38 GLN QE 2 58 MET ME 4.500 . 5.000 3.500 2.305 4.568 . 0 0 "[ . 1 . 2]" 1
2919 2 38 GLN QE 2 61 LEU QD 5.200 . 5.700 4.863 4.269 5.308 . 0 0 "[ . 1 . 2]" 1
2920 2 45 LEU HA 2 48 GLN QG 3.800 . 4.300 2.492 2.090 3.380 . 0 0 "[ . 1 . 2]" 1
2921 2 45 LEU QD 2 48 GLN QG 3.800 . 4.300 3.346 2.642 3.899 . 0 0 "[ . 1 . 2]" 1
2922 2 47 ALA H 2 48 GLN QG 3.800 . 4.300 3.095 2.439 3.536 . 0 0 "[ . 1 . 2]" 1
2923 2 48 GLN H 2 48 GLN QG 3.800 . 4.300 2.667 1.796 3.140 0.004 8 0 "[ . 1 . 2]" 1
2924 2 48 GLN HA 2 48 GLN QG 3.800 . 4.300 2.531 2.315 3.301 . 0 0 "[ . 1 . 2]" 1
2925 2 48 GLN QG 2 49 LYS H 4.500 . 5.000 4.188 3.882 4.500 . 0 0 "[ . 1 . 2]" 1
2926 2 48 GLN QG 2 54 VAL QG 3.800 . 4.300 3.401 2.822 4.014 . 0 0 "[ . 1 . 2]" 1
2927 2 58 MET HA 2 61 LEU QB 4.500 . 5.000 3.786 2.855 4.377 . 0 0 "[ . 1 . 2]" 1
2928 2 61 LEU QB 2 62 ASP H 3.800 . 4.300 2.762 2.658 2.894 . 0 0 "[ . 1 . 2]" 1
2929 2 27 LYS H 2 27 LYS HB3 3.800 . 4.300 3.408 2.442 3.998 . 0 0 "[ . 1 . 2]" 1
2930 2 27 LYS HB2 2 28 LEU H 3.800 . 4.300 2.586 1.808 4.130 . 0 0 "[ . 1 . 2]" 1
2931 2 29 SER H 2 33 LEU HB2 5.200 . 5.700 5.282 4.055 5.716 0.016 11 0 "[ . 1 . 2]" 1
2932 2 34 LYS H 2 61 LEU HB2 4.500 . 5.000 4.917 4.405 5.011 0.011 11 0 "[ . 1 . 2]" 1
2933 2 35 GLU HA 2 38 GLN HE21 4.500 . 5.000 3.276 1.851 5.019 0.019 2 0 "[ . 1 . 2]" 1
2934 2 34 LYS HG3 2 38 GLN HE21 4.500 . 5.000 3.057 2.160 4.103 . 0 0 "[ . 1 . 2]" 1
2935 2 38 GLN HE21 2 58 MET ME 4.500 . 5.000 3.700 2.340 4.936 . 0 0 "[ . 1 . 2]" 1
2936 2 48 GLN H 2 48 GLN HG3 3.800 . 4.300 2.875 2.281 3.257 . 0 0 "[ . 1 . 2]" 1
2937 2 48 GLN HG2 2 49 LYS H 4.500 . 5.000 4.557 4.088 5.004 0.004 8 0 "[ . 1 . 2]" 1
2938 2 61 LEU HB3 2 62 ASP H 4.500 . 5.000 3.953 3.887 4.072 . 0 0 "[ . 1 . 2]" 1
2939 2 61 LEU HB2 2 62 ASP H 3.800 . 4.300 2.820 2.706 2.961 . 0 0 "[ . 1 . 2]" 1
2940 2 58 MET HA 2 61 LEU HB2 4.500 . 5.000 3.869 2.896 4.531 . 0 0 "[ . 1 . 2]" 1
2941 2 34 LYS HB3 2 61 LEU HB3 4.500 . 5.000 3.931 2.289 4.785 . 0 0 "[ . 1 . 2]" 1
2942 2 24 ASP QB 2 27 LYS QG 4.500 . 5.000 3.346 2.564 4.774 . 0 0 "[ . 1 . 2]" 1
2943 2 27 LYS H 2 27 LYS QG 3.800 . 4.300 2.632 1.938 4.122 . 0 0 "[ . 1 . 2]" 1
2944 2 27 LYS HB2 2 68 GLU QB 4.500 . 5.000 3.489 2.503 4.982 . 0 0 "[ . 1 . 2]" 1
2945 2 27 LYS HB3 2 68 GLU QB 5.200 . 5.700 4.201 2.811 5.109 . 0 0 "[ . 1 . 2]" 1
2946 2 27 LYS QG 2 28 LEU H 4.500 . 5.000 3.358 2.190 4.269 . 0 0 "[ . 1 . 2]" 1
2947 2 27 LYS QG 2 68 GLU QB 4.500 . 5.000 3.526 2.377 4.690 . 0 0 "[ . 1 . 2]" 1
2948 2 28 LEU QD 2 32 GLN QG 4.500 . 5.000 3.690 3.340 4.029 . 0 0 "[ . 1 . 2]" 1
2949 2 28 LEU QD 2 33 LEU HB2 4.500 . 5.000 2.607 2.273 3.586 . 0 0 "[ . 1 . 2]" 1
2950 2 28 LEU QD 2 33 LEU HB3 4.500 . 5.000 3.920 3.629 4.645 . 0 0 "[ . 1 . 2]" 1
2951 2 29 SER H 2 32 GLN QG 3.800 . 4.300 3.970 3.295 4.182 . 0 0 "[ . 1 . 2]" 1
2952 2 32 GLN H 2 32 GLN QG 3.800 . 4.300 2.250 2.030 2.575 . 0 0 "[ . 1 . 2]" 1
2953 2 32 GLN HA 2 32 GLN QG 3.800 . 4.300 2.508 2.240 2.922 . 0 0 "[ . 1 . 2]" 1
2954 2 32 GLN QG 2 33 LEU H 4.500 . 5.000 4.086 3.969 4.239 . 0 0 "[ . 1 . 2]" 1
2955 2 34 LYS QE 2 38 GLN HE21 4.500 . 5.000 3.790 2.210 4.932 . 0 0 "[ . 1 . 2]" 1
2956 2 34 LYS QE 2 38 GLN HE22 4.500 . 5.000 3.386 2.151 5.019 0.019 3 0 "[ . 1 . 2]" 1
2957 2 38 GLN HE21 2 45 LEU QD 5.200 . 5.700 4.624 3.167 5.508 . 0 0 "[ . 1 . 2]" 1
2958 2 38 GLN HE21 2 61 LEU QD 5.200 . 5.700 5.163 4.536 5.676 . 0 0 "[ . 1 . 2]" 1
2959 2 45 LEU QD 2 48 GLN HG2 4.500 . 5.000 3.715 2.735 4.488 . 0 0 "[ . 1 . 2]" 1
2960 2 45 LEU QD 2 48 GLN HG3 4.500 . 5.000 3.937 3.329 4.889 . 0 0 "[ . 1 . 2]" 1
2961 2 48 GLN HG2 2 54 VAL QG 4.500 . 5.000 3.631 2.877 4.623 . 0 0 "[ . 1 . 2]" 1
2962 2 48 GLN HG3 2 54 VAL QG 4.500 . 5.000 4.231 4.033 4.581 . 0 0 "[ . 1 . 2]" 1
2963 2 63 GLU HB2 2 64 ASN QB 4.500 . 5.000 4.142 3.920 4.483 . 0 0 "[ . 1 . 2]" 1
2964 2 63 GLU HB3 2 64 ASN QB 5.200 . 5.700 4.730 4.266 5.254 . 0 0 "[ . 1 . 2]" 1
2965 2 64 ASN QB 2 65 GLY H 4.500 . 5.000 2.672 1.799 3.752 0.001 8 0 "[ . 1 . 2]" 1
2966 2 64 ASN QB 2 67 GLY H 4.500 . 5.000 3.120 2.523 3.668 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 307
_Distance_constraint_stats_list.Viol_count 117
_Distance_constraint_stats_list.Viol_total 22.211
_Distance_constraint_stats_list.Viol_max 0.034
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0095
_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 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.035 0.030 7 0 "[ . 1 . 2]"
1 5 GLU 0.050 0.025 14 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 MET 0.097 0.021 6 0 "[ . 1 . 2]"
1 9 GLU 0.011 0.011 1 0 "[ . 1 . 2]"
1 10 THR 0.056 0.015 2 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.083 0.021 13 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.051 0.022 7 0 "[ . 1 . 2]"
1 44 PHE 0.024 0.011 1 0 "[ . 1 . 2]"
1 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLN 0.107 0.027 20 0 "[ . 1 . 2]"
1 73 GLU 0.095 0.033 2 0 "[ . 1 . 2]"
1 74 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.086 0.032 7 0 "[ . 1 . 2]"
1 76 VAL 0.172 0.034 2 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 0.101 0.015 16 0 "[ . 1 . 2]"
1 80 ALA 0.022 0.022 20 0 "[ . 1 . 2]"
1 82 THR 0.029 0.019 6 0 "[ . 1 . 2]"
1 83 VAL 0.023 0.011 16 0 "[ . 1 . 2]"
1 86 ASN 0.021 0.011 13 0 "[ . 1 . 2]"
1 89 PHE 0.046 0.014 1 0 "[ . 1 . 2]"
2 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 LEU 0.041 0.032 7 0 "[ . 1 . 2]"
2 5 GLU 0.050 0.022 7 0 "[ . 1 . 2]"
2 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 MET 0.090 0.019 6 0 "[ . 1 . 2]"
2 9 GLU 0.011 0.011 1 0 "[ . 1 . 2]"
2 10 THR 0.065 0.013 11 0 "[ . 1 . 2]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ILE 0.067 0.014 1 0 "[ . 1 . 2]"
2 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 LEU 0.049 0.025 14 0 "[ . 1 . 2]"
2 44 PHE 0.020 0.011 1 0 "[ . 1 . 2]"
2 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 72 GLN 0.090 0.022 20 0 "[ . 1 . 2]"
2 73 GLU 0.091 0.034 2 0 "[ . 1 . 2]"
2 74 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 VAL 0.085 0.030 7 0 "[ . 1 . 2]"
2 76 VAL 0.176 0.033 2 0 "[ . 1 . 2]"
2 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 79 ALA 0.109 0.014 16 0 "[ . 1 . 2]"
2 80 ALA 0.027 0.027 20 0 "[ . 1 . 2]"
2 82 THR 0.030 0.021 6 0 "[ . 1 . 2]"
2 83 VAL 0.026 0.012 16 0 "[ . 1 . 2]"
2 86 ASN 0.031 0.021 13 0 "[ . 1 . 2]"
2 89 PHE 0.052 0.018 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU HB2 2 14 VAL QG 4.500 . 5.000 3.305 2.349 4.547 . 0 0 "[ . 1 . 2]" 2
2 1 3 GLU QG 2 10 THR MG 4.500 . 5.000 3.792 3.454 4.114 . 0 0 "[ . 1 . 2]" 2
3 1 4 LEU H 2 14 VAL QG 4.500 . 5.000 3.115 2.606 3.876 . 0 0 "[ . 1 . 2]" 2
4 1 4 LEU HA 2 11 LEU QD 4.500 . 5.000 3.677 3.264 4.115 . 0 0 "[ . 1 . 2]" 2
5 1 4 LEU HA 2 14 VAL QG 4.500 . 5.000 3.230 2.436 3.737 . 0 0 "[ . 1 . 2]" 2
6 1 4 LEU HB2 2 14 VAL QG 3.800 . 4.300 2.464 2.151 2.781 . 0 0 "[ . 1 . 2]" 2
7 1 4 LEU HB3 2 41 LEU QD 4.500 . 5.000 3.696 3.151 4.894 . 0 0 "[ . 1 . 2]" 2
8 1 4 LEU HG 2 14 VAL QG 4.500 . 5.000 3.593 2.324 4.640 . 0 0 "[ . 1 . 2]" 2
9 1 4 LEU HG 2 41 LEU QD 4.500 . 5.000 4.047 2.801 4.920 . 0 0 "[ . 1 . 2]" 2
10 1 4 LEU HG 2 78 VAL QG 5.200 . 5.700 4.021 3.644 4.608 . 0 0 "[ . 1 . 2]" 2
11 1 4 LEU QD 2 10 THR MG 3.800 . 4.300 3.705 2.879 4.301 0.001 10 0 "[ . 1 . 2]" 2
12 1 4 LEU QD 2 11 LEU H 5.200 . 5.700 4.983 4.240 5.642 . 0 0 "[ . 1 . 2]" 2
13 1 4 LEU QD 2 11 LEU HA 4.500 . 5.000 3.341 2.602 4.140 . 0 0 "[ . 1 . 2]" 2
14 1 4 LEU QD 2 11 LEU HG 4.500 . 5.000 3.492 3.070 4.436 . 0 0 "[ . 1 . 2]" 2
15 1 4 LEU QD 2 11 LEU QD 2.800 . 3.300 2.068 1.801 2.793 . 0 0 "[ . 1 . 2]" 2
16 1 4 LEU QD 2 14 VAL HB 4.500 . 5.000 3.469 2.851 4.331 . 0 0 "[ . 1 . 2]" 2
17 1 4 LEU QD 2 14 VAL QG 3.800 . 4.300 2.452 1.980 3.149 . 0 0 "[ . 1 . 2]" 2
18 1 4 LEU QD 2 36 LEU QD 3.800 . 4.300 3.838 3.237 4.206 . 0 0 "[ . 1 . 2]" 2
19 1 4 LEU QD 2 37 LEU HA 4.500 . 5.000 4.430 3.810 4.985 . 0 0 "[ . 1 . 2]" 2
20 1 4 LEU QD 2 37 LEU QD 4.500 . 5.000 4.153 3.653 4.638 . 0 0 "[ . 1 . 2]" 2
21 1 4 LEU QD 2 40 GLU H 4.500 . 5.000 4.486 4.016 4.966 . 0 0 "[ . 1 . 2]" 2
22 1 4 LEU QD 2 40 GLU QB 3.800 . 4.300 2.018 1.836 2.473 . 0 0 "[ . 1 . 2]" 2
23 1 4 LEU QD 2 40 GLU HG2 4.500 . 5.000 3.747 2.637 4.165 . 0 0 "[ . 1 . 2]" 2
24 1 4 LEU QD 2 40 GLU HG3 4.500 . 5.000 2.758 2.241 4.131 . 0 0 "[ . 1 . 2]" 2
25 1 4 LEU QD 2 41 LEU H 4.500 . 5.000 3.907 3.482 4.644 . 0 0 "[ . 1 . 2]" 2
26 1 4 LEU QD 2 41 LEU HG 4.500 . 5.000 3.134 2.270 4.149 . 0 0 "[ . 1 . 2]" 2
27 1 4 LEU QD 2 41 LEU QD 2.800 . 3.300 2.193 1.874 3.020 . 0 0 "[ . 1 . 2]" 2
28 1 4 LEU QD 2 74 TYR QE 3.800 . 4.300 2.862 2.437 3.286 . 0 0 "[ . 1 . 2]" 2
29 1 4 LEU QD 2 75 VAL HA 5.200 . 5.700 5.113 4.717 5.730 0.030 7 0 "[ . 1 . 2]" 2
30 1 4 LEU QD 2 75 VAL QG 5.200 . 5.700 4.596 4.297 5.050 . 0 0 "[ . 1 . 2]" 2
31 1 4 LEU QD 2 78 VAL QG 2.800 . 3.300 2.284 1.934 2.856 . 0 0 "[ . 1 . 2]" 2
32 1 5 GLU H 2 41 LEU QD 4.500 . 5.000 4.656 4.036 5.025 0.025 14 0 "[ . 1 . 2]" 2
33 1 5 GLU HA 2 41 LEU QD 4.500 . 5.000 4.167 3.611 4.868 . 0 0 "[ . 1 . 2]" 2
34 1 5 GLU QB 2 44 PHE HE2 4.500 . 5.000 4.397 2.877 5.006 0.006 15 0 "[ . 1 . 2]" 2
35 1 5 GLU QG 2 41 LEU QD 3.800 . 4.300 3.128 2.420 3.833 . 0 0 "[ . 1 . 2]" 2
36 1 7 ALA MB 2 11 LEU QD 2.800 . 3.300 2.661 2.316 3.001 . 0 0 "[ . 1 . 2]" 2
37 1 8 MET HA 2 11 LEU QD 5.200 . 5.700 4.098 3.891 4.298 . 0 0 "[ . 1 . 2]" 2
38 1 8 MET QB 2 44 PHE HZ 4.500 . 5.000 3.973 3.488 4.532 . 0 0 "[ . 1 . 2]" 2
39 1 8 MET QB 2 44 PHE HE2 3.800 . 4.300 3.842 3.476 4.282 . 0 0 "[ . 1 . 2]" 2
40 1 8 MET QB 2 82 THR MG 3.800 . 4.300 2.624 2.223 3.242 . 0 0 "[ . 1 . 2]" 2
41 1 8 MET QG 2 44 PHE HE2 4.500 . 5.000 4.141 3.394 5.002 0.002 11 0 "[ . 1 . 2]" 2
42 1 8 MET QG 2 78 VAL QG 3.800 . 4.300 3.876 3.698 4.201 . 0 0 "[ . 1 . 2]" 2
43 1 8 MET QG 2 82 THR MG 4.500 . 5.000 3.681 3.149 4.325 . 0 0 "[ . 1 . 2]" 2
44 1 8 MET ME 2 11 LEU QD 4.500 . 5.000 3.130 2.555 3.696 . 0 0 "[ . 1 . 2]" 2
45 1 8 MET ME 2 41 LEU QD 4.500 . 5.000 4.375 3.975 4.647 . 0 0 "[ . 1 . 2]" 2
46 1 8 MET ME 2 78 VAL QG 3.800 . 4.300 2.396 2.046 2.805 . 0 0 "[ . 1 . 2]" 2
47 1 9 GLU QG 2 44 PHE HZ 3.800 . 4.300 3.926 3.516 4.265 . 0 0 "[ . 1 . 2]" 2
48 1 9 GLU QG 2 44 PHE HE2 5.200 . 5.700 5.211 4.733 5.645 . 0 0 "[ . 1 . 2]" 2
49 1 10 THR MG 2 3 GLU QG 4.500 . 5.000 3.792 3.453 4.116 . 0 0 "[ . 1 . 2]" 2
50 1 10 THR MG 2 4 LEU QD 3.800 . 4.300 3.705 2.876 4.297 . 0 0 "[ . 1 . 2]" 2
51 1 11 LEU H 2 4 LEU QD 5.200 . 5.700 4.982 4.237 5.636 . 0 0 "[ . 1 . 2]" 2
52 1 11 LEU HA 2 4 LEU QD 4.500 . 5.000 3.341 2.598 4.137 . 0 0 "[ . 1 . 2]" 2
53 1 11 LEU HG 2 4 LEU QD 4.500 . 5.000 3.491 3.068 4.432 . 0 0 "[ . 1 . 2]" 2
54 1 11 LEU QD 2 4 LEU HA 4.500 . 5.000 3.677 3.261 4.118 . 0 0 "[ . 1 . 2]" 2
55 1 11 LEU QD 2 4 LEU QD 2.800 . 3.300 2.068 1.800 2.791 . 0 0 "[ . 1 . 2]" 2
56 1 11 LEU QD 2 7 ALA MB 2.800 . 3.300 2.661 2.311 3.000 . 0 0 "[ . 1 . 2]" 2
57 1 11 LEU QD 2 8 MET HA 5.200 . 5.700 4.097 3.892 4.298 . 0 0 "[ . 1 . 2]" 2
58 1 11 LEU QD 2 8 MET ME 4.500 . 5.000 3.130 2.556 3.698 . 0 0 "[ . 1 . 2]" 2
59 1 11 LEU QD 2 78 VAL QG 4.500 . 5.000 4.194 3.994 4.375 . 0 0 "[ . 1 . 2]" 2
60 1 11 LEU QD 2 79 ALA MB 4.500 . 5.000 4.420 4.211 4.605 . 0 0 "[ . 1 . 2]" 2
61 1 12 ILE MG 2 86 ASN QD 4.500 . 5.000 3.931 3.157 4.758 . 0 0 "[ . 1 . 2]" 2
62 1 14 VAL HB 2 4 LEU QD 4.500 . 5.000 3.467 2.855 4.327 . 0 0 "[ . 1 . 2]" 2
63 1 14 VAL QG 2 3 GLU HB2 4.500 . 5.000 3.304 2.349 4.549 . 0 0 "[ . 1 . 2]" 2
64 1 14 VAL QG 2 4 LEU H 4.500 . 5.000 3.113 2.603 3.876 . 0 0 "[ . 1 . 2]" 2
65 1 14 VAL QG 2 4 LEU HA 4.500 . 5.000 3.229 2.436 3.737 . 0 0 "[ . 1 . 2]" 2
66 1 14 VAL QG 2 4 LEU HB2 3.800 . 4.300 2.462 2.156 2.776 . 0 0 "[ . 1 . 2]" 2
67 1 14 VAL QG 2 4 LEU HG 4.500 . 5.000 3.591 2.328 4.637 . 0 0 "[ . 1 . 2]" 2
68 1 14 VAL QG 2 4 LEU QD 3.800 . 4.300 2.451 1.977 3.147 . 0 0 "[ . 1 . 2]" 2
69 1 36 LEU QD 2 4 LEU QD 3.800 . 4.300 3.837 3.237 4.205 . 0 0 "[ . 1 . 2]" 2
70 1 37 LEU HA 2 4 LEU QD 4.500 . 5.000 4.430 3.811 4.984 . 0 0 "[ . 1 . 2]" 2
71 1 37 LEU QD 2 4 LEU QD 4.500 . 5.000 4.153 3.653 4.636 . 0 0 "[ . 1 . 2]" 2
72 1 40 GLU H 2 4 LEU QD 4.500 . 5.000 4.485 4.017 4.966 . 0 0 "[ . 1 . 2]" 2
73 1 40 GLU QB 2 4 LEU QD 3.800 . 4.300 2.017 1.836 2.472 . 0 0 "[ . 1 . 2]" 2
74 1 40 GLU HG2 2 4 LEU QD 4.500 . 5.000 3.746 2.642 4.165 . 0 0 "[ . 1 . 2]" 2
75 1 40 GLU HG3 2 4 LEU QD 4.500 . 5.000 2.757 2.244 4.128 . 0 0 "[ . 1 . 2]" 2
76 1 41 LEU H 2 4 LEU QD 4.500 . 5.000 3.907 3.482 4.643 . 0 0 "[ . 1 . 2]" 2
77 1 41 LEU HG 2 4 LEU QD 4.500 . 5.000 3.135 2.271 4.147 . 0 0 "[ . 1 . 2]" 2
78 1 41 LEU QD 2 4 LEU HB3 4.500 . 5.000 3.697 3.156 4.885 . 0 0 "[ . 1 . 2]" 2
79 1 41 LEU QD 2 4 LEU HG 4.500 . 5.000 4.048 2.803 4.918 . 0 0 "[ . 1 . 2]" 2
80 1 41 LEU QD 2 4 LEU QD 2.800 . 3.300 2.195 1.872 3.013 . 0 0 "[ . 1 . 2]" 2
81 1 41 LEU QD 2 5 GLU H 4.500 . 5.000 4.656 4.042 5.022 0.022 7 0 "[ . 1 . 2]" 2
82 1 41 LEU QD 2 5 GLU HA 4.500 . 5.000 4.166 3.612 4.867 . 0 0 "[ . 1 . 2]" 2
83 1 41 LEU QD 2 5 GLU QG 3.800 . 4.300 3.127 2.424 3.833 . 0 0 "[ . 1 . 2]" 2
84 1 41 LEU QD 2 8 MET ME 4.500 . 5.000 4.374 3.973 4.646 . 0 0 "[ . 1 . 2]" 2
85 1 44 PHE HZ 2 8 MET QB 4.500 . 5.000 3.972 3.487 4.529 . 0 0 "[ . 1 . 2]" 2
86 1 44 PHE HZ 2 9 GLU QG 3.800 . 4.300 3.925 3.515 4.258 . 0 0 "[ . 1 . 2]" 2
87 1 44 PHE HE2 2 5 GLU QB 4.500 . 5.000 4.398 2.870 5.005 0.005 5 0 "[ . 1 . 2]" 2
88 1 44 PHE HE2 2 8 MET QB 3.800 . 4.300 3.841 3.473 4.281 . 0 0 "[ . 1 . 2]" 2
89 1 44 PHE HE2 2 8 MET QG 4.500 . 5.000 4.142 3.393 5.005 0.005 11 0 "[ . 1 . 2]" 2
90 1 44 PHE HE2 2 9 GLU QG 5.200 . 5.700 5.210 4.731 5.641 . 0 0 "[ . 1 . 2]" 2
91 1 71 PHE HB3 2 83 VAL QG 4.500 . 5.000 3.042 2.405 3.525 . 0 0 "[ . 1 . 2]" 2
92 1 71 PHE HE2 2 83 VAL QG 5.200 . 5.700 3.552 3.023 4.059 . 0 0 "[ . 1 . 2]" 2
93 1 71 PHE HD2 2 83 VAL QG 3.800 . 4.300 2.431 2.008 2.813 . 0 0 "[ . 1 . 2]" 2
94 1 72 GLN H 2 83 VAL QG 3.800 . 4.300 3.275 2.918 3.709 . 0 0 "[ . 1 . 2]" 2
95 1 72 GLN HA 2 83 VAL QG 4.500 . 5.000 3.830 3.503 4.195 . 0 0 "[ . 1 . 2]" 2
96 1 72 GLN HB2 2 76 VAL QG 4.500 . 5.000 4.050 3.308 4.787 . 0 0 "[ . 1 . 2]" 2
97 1 72 GLN HB3 2 83 VAL QG 4.500 . 5.000 2.768 2.135 4.957 . 0 0 "[ . 1 . 2]" 2
98 1 72 GLN HG2 2 83 VAL QG 3.800 . 4.300 3.416 2.727 3.769 . 0 0 "[ . 1 . 2]" 2
99 1 72 GLN HG3 2 83 VAL QG 4.500 . 5.000 4.370 2.260 4.884 . 0 0 "[ . 1 . 2]" 2
100 1 72 GLN QE 2 76 VAL QG 4.500 . 5.000 4.287 3.070 4.983 . 0 0 "[ . 1 . 2]" 2
101 1 72 GLN QE 2 83 VAL QG 3.800 . 4.300 3.275 2.825 4.302 0.002 6 0 "[ . 1 . 2]" 2
102 1 73 GLU HA 2 76 VAL QG 5.200 . 5.700 4.755 4.340 4.916 . 0 0 "[ . 1 . 2]" 2
103 1 73 GLU HG2 2 76 VAL QG 5.200 . 5.700 5.649 5.283 5.733 0.033 2 0 "[ . 1 . 2]" 2
104 1 74 TYR QE 2 4 LEU QD 3.800 . 4.300 2.861 2.435 3.287 . 0 0 "[ . 1 . 2]" 2
105 1 75 VAL HA 2 4 LEU QD 5.200 . 5.700 5.113 4.718 5.732 0.032 7 0 "[ . 1 . 2]" 2
106 1 75 VAL QG 2 4 LEU QD 5.200 . 5.700 4.595 4.297 5.050 . 0 0 "[ . 1 . 2]" 2
107 1 75 VAL QG 2 76 VAL HA 4.500 . 5.000 3.073 2.946 3.223 . 0 0 "[ . 1 . 2]" 2
108 1 75 VAL QG 2 76 VAL HB 5.200 . 5.700 5.479 4.715 5.667 . 0 0 "[ . 1 . 2]" 2
109 1 75 VAL QG 2 76 VAL QG 5.200 . 5.700 3.608 3.507 3.753 . 0 0 "[ . 1 . 2]" 2
110 1 75 VAL QG 2 78 VAL HB 5.200 . 5.700 4.888 4.703 5.137 . 0 0 "[ . 1 . 2]" 2
111 1 75 VAL QG 2 78 VAL QG 4.500 . 5.000 2.921 2.804 3.043 . 0 0 "[ . 1 . 2]" 2
112 1 75 VAL QG 2 79 ALA H 3.800 . 4.300 3.581 3.426 3.723 . 0 0 "[ . 1 . 2]" 2
113 1 75 VAL QG 2 79 ALA HA 4.500 . 5.000 3.326 3.078 3.578 . 0 0 "[ . 1 . 2]" 2
114 1 75 VAL QG 2 79 ALA MB 2.800 . 3.300 1.957 1.884 2.026 . 0 0 "[ . 1 . 2]" 2
115 1 76 VAL HA 2 75 VAL QG 4.500 . 5.000 3.072 2.940 3.218 . 0 0 "[ . 1 . 2]" 2
116 1 76 VAL HA 2 76 VAL QG 3.800 . 4.300 2.715 2.416 3.606 . 0 0 "[ . 1 . 2]" 2
117 1 76 VAL HB 2 75 VAL QG 5.200 . 5.700 5.479 4.716 5.662 . 0 0 "[ . 1 . 2]" 2
118 1 76 VAL QG 2 72 GLN HB2 4.500 . 5.000 4.050 3.309 4.787 . 0 0 "[ . 1 . 2]" 2
119 1 76 VAL QG 2 72 GLN QE 4.500 . 5.000 4.286 3.070 4.983 . 0 0 "[ . 1 . 2]" 2
120 1 76 VAL QG 2 73 GLU HA 5.200 . 5.700 4.755 4.339 4.917 . 0 0 "[ . 1 . 2]" 2
121 1 76 VAL QG 2 73 GLU HG2 5.200 . 5.700 5.648 5.280 5.734 0.034 2 0 "[ . 1 . 2]" 2
122 1 76 VAL QG 2 75 VAL QG 5.200 . 5.700 3.608 3.510 3.755 . 0 0 "[ . 1 . 2]" 2
123 1 76 VAL QG 2 76 VAL HA 3.800 . 4.300 2.716 2.413 3.609 . 0 0 "[ . 1 . 2]" 2
124 1 76 VAL QG 2 76 VAL QG 2.800 . 3.300 1.861 1.781 2.290 0.019 20 0 "[ . 1 . 2]" 2
125 1 78 VAL HB 2 75 VAL QG 5.200 . 5.700 4.887 4.703 5.138 . 0 0 "[ . 1 . 2]" 2
126 1 78 VAL QG 2 4 LEU HG 5.200 . 5.700 4.021 3.638 4.613 . 0 0 "[ . 1 . 2]" 2
127 1 78 VAL QG 2 4 LEU QD 2.800 . 3.300 2.284 1.935 2.862 . 0 0 "[ . 1 . 2]" 2
128 1 78 VAL QG 2 8 MET QG 3.800 . 4.300 3.876 3.698 4.203 . 0 0 "[ . 1 . 2]" 2
129 1 78 VAL QG 2 8 MET ME 3.800 . 4.300 2.395 2.048 2.803 . 0 0 "[ . 1 . 2]" 2
130 1 78 VAL QG 2 11 LEU QD 4.500 . 5.000 4.194 3.993 4.377 . 0 0 "[ . 1 . 2]" 2
131 1 78 VAL QG 2 75 VAL QG 4.500 . 5.000 2.921 2.804 3.043 . 0 0 "[ . 1 . 2]" 2
132 1 79 ALA H 2 75 VAL QG 3.800 . 4.300 3.580 3.426 3.723 . 0 0 "[ . 1 . 2]" 2
133 1 79 ALA HA 2 75 VAL QG 4.500 . 5.000 3.325 3.075 3.580 . 0 0 "[ . 1 . 2]" 2
134 1 79 ALA MB 2 11 LEU QD 4.500 . 5.000 4.420 4.208 4.608 . 0 0 "[ . 1 . 2]" 2
135 1 79 ALA MB 2 75 VAL QG 2.800 . 3.300 1.957 1.884 2.026 . 0 0 "[ . 1 . 2]" 2
136 1 82 THR MG 2 8 MET QB 3.800 . 4.300 2.624 2.223 3.245 . 0 0 "[ . 1 . 2]" 2
137 1 82 THR MG 2 8 MET QG 4.500 . 5.000 3.682 3.151 4.322 . 0 0 "[ . 1 . 2]" 2
138 1 83 VAL QG 2 71 PHE HB3 4.500 . 5.000 3.039 2.407 3.524 . 0 0 "[ . 1 . 2]" 2
139 1 83 VAL QG 2 71 PHE HE2 5.200 . 5.700 3.552 3.021 4.054 . 0 0 "[ . 1 . 2]" 2
140 1 83 VAL QG 2 71 PHE HD2 3.800 . 4.300 2.430 2.009 2.811 . 0 0 "[ . 1 . 2]" 2
141 1 83 VAL QG 2 72 GLN H 3.800 . 4.300 3.274 2.919 3.712 . 0 0 "[ . 1 . 2]" 2
142 1 83 VAL QG 2 72 GLN HA 4.500 . 5.000 3.829 3.506 4.197 . 0 0 "[ . 1 . 2]" 2
143 1 83 VAL QG 2 72 GLN HB3 4.500 . 5.000 2.767 2.139 4.958 . 0 0 "[ . 1 . 2]" 2
144 1 83 VAL QG 2 72 GLN HG2 3.800 . 4.300 3.415 2.728 3.766 . 0 0 "[ . 1 . 2]" 2
145 1 83 VAL QG 2 72 GLN HG3 4.500 . 5.000 4.369 2.265 4.881 . 0 0 "[ . 1 . 2]" 2
146 1 83 VAL QG 2 72 GLN QE 3.800 . 4.300 3.275 2.827 4.303 0.003 6 0 "[ . 1 . 2]" 2
147 1 86 ASN QD 2 12 ILE MG 4.500 . 5.000 3.929 3.157 4.755 . 0 0 "[ . 1 . 2]" 2
148 1 10 THR MG 2 4 LEU H 4.500 . 5.000 3.740 3.325 4.241 . 0 0 "[ . 1 . 2]" 2
149 1 4 LEU H 2 10 THR MG 4.500 . 5.000 3.741 3.324 4.243 . 0 0 "[ . 1 . 2]" 2
150 1 10 THR MG 2 7 ALA H 3.800 . 4.300 3.197 2.912 3.509 . 0 0 "[ . 1 . 2]" 2
151 1 7 ALA H 2 10 THR MG 3.800 . 4.300 3.198 2.911 3.505 . 0 0 "[ . 1 . 2]" 2
152 1 10 THR MG 2 8 MET H 4.500 . 5.000 4.978 4.888 5.015 0.015 2 0 "[ . 1 . 2]" 2
153 1 8 MET H 2 10 THR MG 4.500 . 5.000 4.978 4.891 5.013 0.013 11 0 "[ . 1 . 2]" 2
154 1 11 LEU QD 2 8 MET H 4.500 . 5.000 4.203 3.968 4.384 . 0 0 "[ . 1 . 2]" 2
155 1 8 MET H 2 11 LEU QD 4.500 . 5.000 4.203 3.969 4.383 . 0 0 "[ . 1 . 2]" 2
156 1 7 ALA MB 2 10 THR H 4.500 . 5.000 4.017 3.752 4.244 . 0 0 "[ . 1 . 2]" 2
157 1 10 THR H 2 7 ALA MB 4.500 . 5.000 4.017 3.752 4.243 . 0 0 "[ . 1 . 2]" 2
158 1 7 ALA MB 2 11 LEU H 3.800 . 4.300 3.368 3.014 3.675 . 0 0 "[ . 1 . 2]" 2
159 1 11 LEU H 2 7 ALA MB 3.800 . 4.300 3.368 3.014 3.673 . 0 0 "[ . 1 . 2]" 2
160 1 8 MET ME 2 80 ALA H 5.200 . 5.700 5.262 4.988 5.623 . 0 0 "[ . 1 . 2]" 2
161 1 80 ALA H 2 8 MET ME 5.200 . 5.700 5.262 4.990 5.631 . 0 0 "[ . 1 . 2]" 2
162 1 79 ALA MB 2 76 VAL H 4.500 . 5.000 4.644 4.297 4.891 . 0 0 "[ . 1 . 2]" 2
163 1 76 VAL H 2 79 ALA MB 4.500 . 5.000 4.645 4.294 4.893 . 0 0 "[ . 1 . 2]" 2
164 1 80 ALA HA 2 72 GLN HE21 4.500 . 5.000 3.210 2.313 4.761 . 0 0 "[ . 1 . 2]" 2
165 1 72 GLN HE21 2 80 ALA HA 4.500 . 5.000 3.212 2.310 4.760 . 0 0 "[ . 1 . 2]" 2
166 1 80 ALA MB 2 72 GLN HE21 3.800 . 4.300 3.718 2.406 4.294 . 0 0 "[ . 1 . 2]" 2
167 1 72 GLN HE21 2 80 ALA MB 3.800 . 4.300 3.719 2.406 4.300 . 0 0 "[ . 1 . 2]" 2
168 1 80 ALA HA 2 72 GLN HE22 4.500 . 5.000 3.701 2.600 4.307 . 0 0 "[ . 1 . 2]" 2
169 1 72 GLN HE22 2 80 ALA HA 4.500 . 5.000 3.703 2.594 4.307 . 0 0 "[ . 1 . 2]" 2
170 1 80 ALA MB 2 72 GLN HE22 3.800 . 4.300 3.810 2.057 4.322 0.022 20 0 "[ . 1 . 2]" 2
171 1 72 GLN HE22 2 80 ALA MB 3.800 . 4.300 3.812 2.056 4.327 0.027 20 0 "[ . 1 . 2]" 2
172 1 79 ALA MB 2 75 VAL H 4.500 . 5.000 4.207 3.941 4.381 . 0 0 "[ . 1 . 2]" 2
173 1 75 VAL H 2 79 ALA MB 4.500 . 5.000 4.207 3.948 4.383 . 0 0 "[ . 1 . 2]" 2
174 1 8 MET ME 2 78 VAL H 5.200 . 5.700 5.147 4.678 5.488 . 0 0 "[ . 1 . 2]" 2
175 1 78 VAL H 2 8 MET ME 5.200 . 5.700 5.146 4.679 5.486 . 0 0 "[ . 1 . 2]" 2
176 1 75 VAL MG2 2 79 ALA H 4.500 . 5.000 4.958 4.838 5.014 0.014 16 0 "[ . 1 . 2]" 2
177 1 79 ALA H 2 75 VAL MG2 4.500 . 5.000 4.957 4.838 5.015 0.015 16 0 "[ . 1 . 2]" 2
178 1 75 VAL MG1 2 79 ALA H 4.500 . 5.000 3.674 3.504 3.840 . 0 0 "[ . 1 . 2]" 2
179 1 79 ALA H 2 75 VAL MG1 4.500 . 5.000 3.673 3.504 3.839 . 0 0 "[ . 1 . 2]" 2
180 1 8 MET ME 2 79 ALA H 3.800 . 4.300 3.691 3.340 4.134 . 0 0 "[ . 1 . 2]" 2
181 1 79 ALA H 2 8 MET ME 3.800 . 4.300 3.690 3.341 4.140 . 0 0 "[ . 1 . 2]" 2
182 1 8 MET ME 2 82 THR H 4.500 . 5.000 4.610 4.142 5.021 0.021 6 0 "[ . 1 . 2]" 2
183 1 82 THR H 2 8 MET ME 4.500 . 5.000 4.610 4.143 5.019 0.019 6 0 "[ . 1 . 2]" 2
184 1 10 THR MG 2 3 GLU HG2 4.500 . 5.000 4.262 3.683 4.599 . 0 0 "[ . 1 . 2]" 2
185 1 3 GLU HG2 2 10 THR MG 4.500 . 5.000 4.262 3.684 4.599 . 0 0 "[ . 1 . 2]" 2
186 1 10 THR MG 2 3 GLU HG3 4.500 . 5.000 4.356 3.616 4.798 . 0 0 "[ . 1 . 2]" 2
187 1 3 GLU HG3 2 10 THR MG 4.500 . 5.000 4.356 3.618 4.798 . 0 0 "[ . 1 . 2]" 2
188 1 14 VAL MG2 2 4 LEU HB2 4.500 . 5.000 2.674 2.274 3.746 . 0 0 "[ . 1 . 2]" 2
189 1 4 LEU HB2 2 14 VAL MG2 4.500 . 5.000 2.676 2.270 3.746 . 0 0 "[ . 1 . 2]" 2
190 1 14 VAL MG1 2 4 LEU HB2 4.500 . 5.000 3.098 2.489 3.725 . 0 0 "[ . 1 . 2]" 2
191 1 4 LEU HB2 2 14 VAL MG1 4.500 . 5.000 3.100 2.494 3.725 . 0 0 "[ . 1 . 2]" 2
192 1 14 VAL MG1 2 4 LEU HB3 4.500 . 5.000 4.455 3.954 4.940 . 0 0 "[ . 1 . 2]" 2
193 1 4 LEU HB3 2 14 VAL MG1 4.500 . 5.000 4.457 3.959 4.939 . 0 0 "[ . 1 . 2]" 2
194 1 41 LEU MD1 2 4 LEU MD1 4.500 . 5.000 3.849 1.992 4.932 . 0 0 "[ . 1 . 2]" 2
195 1 4 LEU MD1 2 41 LEU MD1 4.500 . 5.000 3.848 1.993 4.935 . 0 0 "[ . 1 . 2]" 2
196 1 78 VAL MG2 2 4 LEU MD1 4.500 . 5.000 4.044 3.338 4.799 . 0 0 "[ . 1 . 2]" 2
197 1 4 LEU MD1 2 78 VAL MG2 4.500 . 5.000 4.043 3.336 4.795 . 0 0 "[ . 1 . 2]" 2
198 1 78 VAL MG1 2 4 LEU MD1 4.500 . 5.000 2.574 2.085 3.242 . 0 0 "[ . 1 . 2]" 2
199 1 4 LEU MD1 2 78 VAL MG1 4.500 . 5.000 2.573 2.086 3.251 . 0 0 "[ . 1 . 2]" 2
200 1 78 VAL MG2 2 4 LEU MD2 4.500 . 5.000 3.955 3.331 4.623 . 0 0 "[ . 1 . 2]" 2
201 1 4 LEU MD2 2 78 VAL MG2 4.500 . 5.000 3.955 3.331 4.630 . 0 0 "[ . 1 . 2]" 2
202 1 41 LEU MD2 2 4 LEU MD2 4.500 . 5.000 2.874 1.967 4.402 . 0 0 "[ . 1 . 2]" 2
203 1 4 LEU MD2 2 41 LEU MD2 4.500 . 5.000 2.873 1.969 4.399 . 0 0 "[ . 1 . 2]" 2
204 1 41 LEU MD1 2 4 LEU MD2 4.500 . 5.000 3.348 1.933 4.239 . 0 0 "[ . 1 . 2]" 2
205 1 4 LEU MD2 2 41 LEU MD1 4.500 . 5.000 3.348 1.928 4.238 . 0 0 "[ . 1 . 2]" 2
206 1 10 THR MG 2 3 GLU HB2 3.800 . 4.300 2.784 2.483 3.431 . 0 0 "[ . 1 . 2]" 2
207 1 3 GLU HB2 2 10 THR MG 3.800 . 4.300 2.784 2.482 3.432 . 0 0 "[ . 1 . 2]" 2
208 1 10 THR MG 2 3 GLU HB3 4.500 . 5.000 2.238 2.048 2.561 . 0 0 "[ . 1 . 2]" 2
209 1 3 GLU HB3 2 10 THR MG 4.500 . 5.000 2.239 2.049 2.562 . 0 0 "[ . 1 . 2]" 2
210 1 41 LEU HA 2 5 GLU HG3 4.500 . 5.000 4.472 3.817 5.001 0.001 12 0 "[ . 1 . 2]" 2
211 1 5 GLU HG3 2 41 LEU HA 4.500 . 5.000 4.472 3.818 5.001 0.001 12 0 "[ . 1 . 2]" 2
212 1 10 THR MG 2 7 ALA MB 3.800 . 4.300 2.137 2.024 2.253 . 0 0 "[ . 1 . 2]" 2
213 1 7 ALA MB 2 10 THR MG 3.800 . 4.300 2.137 2.025 2.250 . 0 0 "[ . 1 . 2]" 2
214 1 8 MET ME 2 7 ALA MB 5.200 . 5.700 5.392 4.870 5.695 . 0 0 "[ . 1 . 2]" 2
215 1 7 ALA MB 2 8 MET ME 5.200 . 5.700 5.392 4.870 5.691 . 0 0 "[ . 1 . 2]" 2
216 1 82 THR MG 2 8 MET HB2 4.500 . 5.000 3.761 3.229 4.655 . 0 0 "[ . 1 . 2]" 2
217 1 8 MET HB2 2 82 THR MG 4.500 . 5.000 3.760 3.230 4.651 . 0 0 "[ . 1 . 2]" 2
218 1 82 THR MG 2 8 MET HB3 4.500 . 5.000 2.681 2.265 3.312 . 0 0 "[ . 1 . 2]" 2
219 1 8 MET HB3 2 82 THR MG 4.500 . 5.000 2.680 2.265 3.309 . 0 0 "[ . 1 . 2]" 2
220 1 82 THR MG 2 8 MET ME 3.800 . 4.300 3.127 2.443 4.000 . 0 0 "[ . 1 . 2]" 2
221 1 8 MET ME 2 82 THR MG 3.800 . 4.300 3.127 2.442 4.000 . 0 0 "[ . 1 . 2]" 2
222 1 7 ALA HA 2 10 THR HB 4.500 . 5.000 3.817 3.202 4.387 . 0 0 "[ . 1 . 2]" 2
223 1 10 THR HB 2 7 ALA HA 4.500 . 5.000 3.817 3.201 4.385 . 0 0 "[ . 1 . 2]" 2
224 1 7 ALA MB 2 10 THR HB 3.800 . 4.300 2.165 2.027 2.378 . 0 0 "[ . 1 . 2]" 2
225 1 10 THR HB 2 7 ALA MB 3.800 . 4.300 2.165 2.027 2.375 . 0 0 "[ . 1 . 2]" 2
226 1 8 MET ME 2 82 THR HB 3.800 . 4.300 3.651 2.977 4.305 0.005 3 0 "[ . 1 . 2]" 2
227 1 82 THR HB 2 8 MET ME 3.800 . 4.300 3.651 2.973 4.304 0.004 3 0 "[ . 1 . 2]" 2
228 1 7 ALA HA 2 10 THR MG 4.500 . 5.000 3.828 3.179 4.278 . 0 0 "[ . 1 . 2]" 2
229 1 10 THR MG 2 7 ALA HA 4.500 . 5.000 3.828 3.178 4.278 . 0 0 "[ . 1 . 2]" 2
230 1 7 ALA MB 2 11 LEU HG 4.500 . 5.000 2.506 2.065 2.942 . 0 0 "[ . 1 . 2]" 2
231 1 11 LEU HG 2 7 ALA MB 4.500 . 5.000 2.506 2.062 2.940 . 0 0 "[ . 1 . 2]" 2
232 1 86 ASN HB3 2 12 ILE MG 5.200 . 5.700 5.319 4.566 5.711 0.011 13 0 "[ . 1 . 2]" 2
233 1 12 ILE MG 2 86 ASN HB3 5.200 . 5.700 5.321 4.568 5.721 0.021 13 0 "[ . 1 . 2]" 2
234 1 4 LEU HB3 2 14 VAL MG2 4.500 . 5.000 4.139 3.728 4.709 . 0 0 "[ . 1 . 2]" 2
235 1 14 VAL MG2 2 4 LEU HB3 4.500 . 5.000 4.138 3.734 4.706 . 0 0 "[ . 1 . 2]" 2
236 1 75 VAL MG2 2 79 ALA MB 3.800 . 4.300 2.437 2.298 2.605 . 0 0 "[ . 1 . 2]" 2
237 1 79 ALA MB 2 75 VAL MG2 3.800 . 4.300 2.436 2.299 2.606 . 0 0 "[ . 1 . 2]" 2
238 1 75 VAL MG1 2 79 ALA MB 3.800 . 4.300 2.068 1.976 2.146 . 0 0 "[ . 1 . 2]" 2
239 1 79 ALA MB 2 75 VAL MG1 3.800 . 4.300 2.067 1.976 2.145 . 0 0 "[ . 1 . 2]" 2
240 1 8 MET ME 2 79 ALA MB 3.800 . 4.300 3.014 2.619 3.630 . 0 0 "[ . 1 . 2]" 2
241 1 79 ALA MB 2 8 MET ME 3.800 . 4.300 3.014 2.619 3.637 . 0 0 "[ . 1 . 2]" 2
242 1 10 THR MG 2 4 LEU HA 3.800 . 4.300 2.711 2.231 3.261 . 0 0 "[ . 1 . 2]" 2
243 1 4 LEU HA 2 10 THR MG 3.800 . 4.300 2.712 2.234 3.262 . 0 0 "[ . 1 . 2]" 2
244 1 4 LEU MD2 2 78 VAL MG1 4.500 . 5.000 2.673 2.130 3.363 . 0 0 "[ . 1 . 2]" 2
245 1 78 VAL MG1 2 4 LEU MD2 4.500 . 5.000 2.673 2.132 3.367 . 0 0 "[ . 1 . 2]" 2
246 1 5 GLU HG2 2 41 LEU HA 4.500 . 5.000 4.061 3.282 4.650 . 0 0 "[ . 1 . 2]" 2
247 1 41 LEU HA 2 5 GLU HG2 4.500 . 5.000 4.059 3.281 4.652 . 0 0 "[ . 1 . 2]" 2
248 1 4 LEU MD1 2 41 LEU MD2 4.500 . 5.000 3.523 1.912 5.005 0.005 13 0 "[ . 1 . 2]" 2
249 1 41 LEU MD2 2 4 LEU MD1 4.500 . 5.000 3.524 1.909 5.009 0.009 13 0 "[ . 1 . 2]" 2
250 1 79 ALA MB 2 72 GLN HB2 4.500 . 5.000 3.087 2.695 4.457 . 0 0 "[ . 1 . 2]" 2
251 1 72 GLN HB2 2 79 ALA MB 4.500 . 5.000 3.088 2.692 4.454 . 0 0 "[ . 1 . 2]" 2
252 1 83 VAL MG1 2 72 GLN HG2 4.500 . 5.000 4.714 4.017 5.011 0.011 16 0 "[ . 1 . 2]" 2
253 1 72 GLN HG2 2 83 VAL MG1 4.500 . 5.000 4.716 4.013 5.012 0.012 16 0 "[ . 1 . 2]" 2
254 1 83 VAL MG2 2 72 GLN HG2 4.500 . 5.000 3.519 2.741 3.895 . 0 0 "[ . 1 . 2]" 2
255 1 72 GLN HG2 2 83 VAL MG2 4.500 . 5.000 3.521 2.740 3.898 . 0 0 "[ . 1 . 2]" 2
256 1 79 ALA MB 2 72 GLN HA 3.800 . 4.300 2.332 2.211 2.670 . 0 0 "[ . 1 . 2]" 2
257 1 72 GLN HA 2 79 ALA MB 3.800 . 4.300 2.332 2.214 2.668 . 0 0 "[ . 1 . 2]" 2
258 1 79 ALA MB 2 75 VAL HA 5.200 . 5.700 4.654 4.480 4.776 . 0 0 "[ . 1 . 2]" 2
259 1 75 VAL HA 2 79 ALA MB 5.200 . 5.700 4.655 4.484 4.777 . 0 0 "[ . 1 . 2]" 2
260 1 8 MET ME 2 75 VAL HA 5.200 . 5.700 4.778 4.237 5.386 . 0 0 "[ . 1 . 2]" 2
261 1 75 VAL HA 2 8 MET ME 5.200 . 5.700 4.777 4.236 5.384 . 0 0 "[ . 1 . 2]" 2
262 1 79 ALA MB 2 75 VAL HB 3.800 . 4.300 2.465 2.182 2.650 . 0 0 "[ . 1 . 2]" 2
263 1 75 VAL HB 2 79 ALA MB 3.800 . 4.300 2.466 2.188 2.651 . 0 0 "[ . 1 . 2]" 2
264 1 8 MET ME 2 78 VAL HA 5.200 . 5.700 4.531 4.119 4.863 . 0 0 "[ . 1 . 2]" 2
265 1 78 VAL HA 2 8 MET ME 5.200 . 5.700 4.531 4.119 4.861 . 0 0 "[ . 1 . 2]" 2
266 1 8 MET ME 2 78 VAL HB 4.500 . 5.000 2.886 2.264 3.322 . 0 0 "[ . 1 . 2]" 2
267 1 78 VAL HB 2 8 MET ME 4.500 . 5.000 2.885 2.263 3.323 . 0 0 "[ . 1 . 2]" 2
268 1 8 MET ME 2 79 ALA HA 3.800 . 4.300 2.663 2.334 3.116 . 0 0 "[ . 1 . 2]" 2
269 1 79 ALA HA 2 8 MET ME 3.800 . 4.300 2.663 2.340 3.124 . 0 0 "[ . 1 . 2]" 2
270 1 72 GLN HG2 2 79 ALA MB 4.500 . 5.000 4.692 2.416 5.013 0.013 11 0 "[ . 1 . 2]" 2
271 1 79 ALA MB 2 72 GLN HG2 4.500 . 5.000 4.691 2.419 5.008 0.008 5 0 "[ . 1 . 2]" 2
272 1 72 GLN HG3 2 79 ALA MB 4.500 . 5.000 4.797 3.854 5.007 0.007 20 0 "[ . 1 . 2]" 2
273 1 79 ALA MB 2 72 GLN HG3 4.500 . 5.000 4.796 3.857 5.005 0.005 18 0 "[ . 1 . 2]" 2
274 1 72 GLN HB3 2 79 ALA MB 4.500 . 5.000 3.035 2.639 3.294 . 0 0 "[ . 1 . 2]" 2
275 1 79 ALA MB 2 72 GLN HB3 4.500 . 5.000 3.035 2.637 3.287 . 0 0 "[ . 1 . 2]" 2
276 1 5 GLU HA 2 44 PHE HE2 4.500 . 5.000 4.198 2.599 4.918 . 0 0 "[ . 1 . 2]" 2
277 1 44 PHE HE2 2 5 GLU HA 4.500 . 5.000 4.200 2.605 4.923 . 0 0 "[ . 1 . 2]" 2
278 1 8 MET HB3 2 44 PHE HE2 4.500 . 5.000 4.567 3.812 4.974 . 0 0 "[ . 1 . 2]" 2
279 1 44 PHE HE2 2 8 MET HB3 4.500 . 5.000 4.565 3.807 4.972 . 0 0 "[ . 1 . 2]" 2
280 1 8 MET HB2 2 44 PHE HE2 4.500 . 5.000 4.169 3.591 4.836 . 0 0 "[ . 1 . 2]" 2
281 1 44 PHE HE2 2 8 MET HB2 4.500 . 5.000 4.168 3.589 4.837 . 0 0 "[ . 1 . 2]" 2
282 1 9 GLU HG3 2 44 PHE HZ 4.500 . 5.000 4.504 3.897 5.011 0.011 1 0 "[ . 1 . 2]" 2
283 1 44 PHE HZ 2 9 GLU HG3 4.500 . 5.000 4.503 3.899 5.011 0.011 1 0 "[ . 1 . 2]" 2
284 1 9 GLU HG2 2 44 PHE HZ 4.500 . 5.000 4.478 3.626 4.962 . 0 0 "[ . 1 . 2]" 2
285 1 44 PHE HZ 2 9 GLU HG2 4.500 . 5.000 4.477 3.624 4.954 . 0 0 "[ . 1 . 2]" 2
286 1 83 VAL MG1 2 71 PHE HD2 4.500 . 5.000 4.504 4.055 4.901 . 0 0 "[ . 1 . 2]" 2
287 1 71 PHE HD2 2 83 VAL MG1 4.500 . 5.000 4.505 4.056 4.905 . 0 0 "[ . 1 . 2]" 2
288 1 79 ALA MB 2 71 PHE HD2 4.500 . 5.000 3.842 3.186 4.565 . 0 0 "[ . 1 . 2]" 2
289 1 71 PHE HD2 2 79 ALA MB 4.500 . 5.000 3.843 3.188 4.567 . 0 0 "[ . 1 . 2]" 2
290 1 83 VAL MG2 2 71 PHE HD2 4.500 . 5.000 2.441 2.013 2.831 . 0 0 "[ . 1 . 2]" 2
291 1 71 PHE HD2 2 83 VAL MG2 4.500 . 5.000 2.442 2.012 2.833 . 0 0 "[ . 1 . 2]" 2
292 1 82 THR MG 2 71 PHE HE2 4.500 . 5.000 3.019 2.488 3.811 . 0 0 "[ . 1 . 2]" 2
293 1 71 PHE HE2 2 82 THR MG 4.500 . 5.000 3.021 2.479 3.808 . 0 0 "[ . 1 . 2]" 2
294 1 79 ALA MB 2 71 PHE HE2 3.800 . 4.300 3.423 2.406 4.205 . 0 0 "[ . 1 . 2]" 2
295 1 71 PHE HE2 2 79 ALA MB 3.800 . 4.300 3.423 2.406 4.207 . 0 0 "[ . 1 . 2]" 2
296 1 82 THR MG 2 71 PHE HZ 4.500 . 5.000 3.952 3.159 4.492 . 0 0 "[ . 1 . 2]" 2
297 1 71 PHE HZ 2 82 THR MG 4.500 . 5.000 3.953 3.157 4.493 . 0 0 "[ . 1 . 2]" 2
298 1 4 LEU MD2 2 74 TYR QE 4.500 . 5.000 3.873 3.269 4.657 . 0 0 "[ . 1 . 2]" 2
299 1 74 TYR QE 2 4 LEU MD2 4.500 . 5.000 3.872 3.267 4.656 . 0 0 "[ . 1 . 2]" 2
300 1 4 LEU MD1 2 74 TYR QE 4.500 . 5.000 2.962 2.488 3.410 . 0 0 "[ . 1 . 2]" 2
301 1 74 TYR QE 2 4 LEU MD1 4.500 . 5.000 2.961 2.486 3.411 . 0 0 "[ . 1 . 2]" 2
302 1 12 ILE MG 2 89 PHE HD1 5.200 . 5.700 5.479 4.880 5.712 0.012 19 0 "[ . 1 . 2]" 2
303 1 89 PHE HD1 2 12 ILE MG 5.200 . 5.700 5.479 4.883 5.714 0.014 19 0 "[ . 1 . 2]" 2
304 1 12 ILE MG 2 89 PHE HD2 5.200 . 5.700 5.439 4.893 5.718 0.018 1 0 "[ . 1 . 2]" 2
305 1 89 PHE HD2 2 12 ILE MG 5.200 . 5.700 5.438 4.891 5.714 0.014 1 0 "[ . 1 . 2]" 2
306 1 12 ILE MG 2 89 PHE HE2 4.500 . 5.000 3.664 2.934 4.298 . 0 0 "[ . 1 . 2]" 2
307 1 89 PHE HE2 2 12 ILE MG 4.500 . 5.000 3.662 2.934 4.296 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 108
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 6.440
_Distance_constraint_stats_list.Viol_max 0.030
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0080
_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 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.030 0.010 7 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASN 0.037 0.010 7 0 "[ . 1 . 2]"
1 14 VAL 0.001 0.001 19 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.009 0.009 8 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.005 0.005 9 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.005 0.005 9 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 0.018 0.018 16 0 "[ . 1 . 2]"
1 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.039 0.030 9 0 "[ . 1 . 2]"
1 74 TYR 0.081 0.020 2 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 VAL 0.039 0.030 9 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.063 0.020 2 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 THR 0.028 0.009 7 0 "[ . 1 . 2]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ASN 0.036 0.010 8 0 "[ . 1 . 2]"
2 14 VAL 0.001 0.001 19 0 "[ . 1 . 2]"
2 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 ALA 0.010 0.010 8 0 "[ . 1 . 2]"
2 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 GLU 0.006 0.006 9 0 "[ . 1 . 2]"
2 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 THR 0.006 0.006 9 0 "[ . 1 . 2]"
2 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 ASP 0.016 0.016 16 0 "[ . 1 . 2]"
2 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 GLU 0.040 0.030 9 0 "[ . 1 . 2]"
2 74 TYR 0.073 0.019 2 0 "[ . 1 . 2]"
2 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 76 VAL 0.040 0.030 9 0 "[ . 1 . 2]"
2 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 VAL 0.057 0.019 2 0 "[ . 1 . 2]"
2 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU O 1 7 ALA N 3.000 2.500 3.500 2.908 2.656 3.213 . 0 0 "[ . 1 . 2]" 3
2 1 3 GLU O 1 7 ALA H 2.100 . 2.600 2.034 1.784 2.356 . 0 0 "[ . 1 . 2]" 3
3 1 4 LEU O 1 8 MET N 3.000 2.500 3.500 3.221 3.011 3.415 . 0 0 "[ . 1 . 2]" 3
4 1 4 LEU O 1 8 MET H 2.100 . 2.600 2.283 2.078 2.480 . 0 0 "[ . 1 . 2]" 3
5 1 7 ALA O 1 10 THR N 3.000 2.500 3.500 2.955 2.665 3.203 . 0 0 "[ . 1 . 2]" 3
6 1 7 ALA O 1 10 THR H 2.100 . 2.600 2.263 1.933 2.591 . 0 0 "[ . 1 . 2]" 3
7 1 8 MET O 1 12 ILE N 3.000 2.500 3.500 3.091 2.817 3.343 . 0 0 "[ . 1 . 2]" 3
8 1 8 MET O 1 12 ILE H 2.100 . 2.600 2.154 1.856 2.455 . 0 0 "[ . 1 . 2]" 3
9 1 10 THR O 1 13 ASN N 3.000 2.500 3.500 3.111 2.928 3.403 . 0 0 "[ . 1 . 2]" 3
10 1 10 THR O 1 13 ASN H 2.100 . 2.600 2.510 2.311 2.610 0.010 7 0 "[ . 1 . 2]" 3
11 1 10 THR O 1 14 VAL N 3.000 2.500 3.500 3.176 2.906 3.501 0.001 19 0 "[ . 1 . 2]" 3
12 1 10 THR O 1 14 VAL H 2.100 . 2.600 2.235 1.940 2.571 . 0 0 "[ . 1 . 2]" 3
13 1 11 LEU O 1 15 PHE N 3.000 2.500 3.500 3.022 2.792 3.261 . 0 0 "[ . 1 . 2]" 3
14 1 11 LEU O 1 15 PHE H 2.100 . 2.600 2.079 1.829 2.304 . 0 0 "[ . 1 . 2]" 3
15 1 13 ASN O 1 17 ALA N 3.000 2.500 3.500 3.153 2.806 3.387 . 0 0 "[ . 1 . 2]" 3
16 1 13 ASN O 1 17 ALA H 2.100 . 2.600 2.404 1.989 2.609 0.009 8 0 "[ . 1 . 2]" 3
17 1 29 SER O 1 33 LEU N 3.000 2.500 3.500 2.871 2.519 3.171 . 0 0 "[ . 1 . 2]" 3
18 1 29 SER O 1 33 LEU H 2.100 . 2.600 2.046 1.636 2.313 . 0 0 "[ . 1 . 2]" 3
19 1 30 LYS O 1 34 LYS N 3.000 2.500 3.500 3.137 2.785 3.358 . 0 0 "[ . 1 . 2]" 3
20 1 30 LYS O 1 34 LYS H 2.100 . 2.600 2.264 1.862 2.474 . 0 0 "[ . 1 . 2]" 3
21 1 32 GLN O 1 36 LEU N 3.000 2.500 3.500 2.949 2.600 3.165 . 0 0 "[ . 1 . 2]" 3
22 1 32 GLN O 1 36 LEU H 2.100 . 2.600 1.999 1.626 2.234 . 0 0 "[ . 1 . 2]" 3
23 1 33 LEU O 1 37 LEU N 3.000 2.500 3.500 2.743 2.609 2.903 . 0 0 "[ . 1 . 2]" 3
24 1 33 LEU O 1 37 LEU H 2.100 . 2.600 1.799 1.695 1.948 . 0 0 "[ . 1 . 2]" 3
25 1 35 GLU O 1 39 THR N 3.000 2.500 3.500 2.643 2.495 3.488 0.005 9 0 "[ . 1 . 2]" 3
26 1 35 GLU O 1 39 THR H 2.100 . 2.600 1.747 1.628 2.519 . 0 0 "[ . 1 . 2]" 3
27 1 36 LEU O 1 40 GLU N 3.000 2.500 3.500 3.152 2.877 3.359 . 0 0 "[ . 1 . 2]" 3
28 1 36 LEU O 1 40 GLU H 2.100 . 2.600 2.233 1.901 2.561 . 0 0 "[ . 1 . 2]" 3
29 1 37 LEU O 1 41 LEU N 3.000 2.500 3.500 2.881 2.603 3.255 . 0 0 "[ . 1 . 2]" 3
30 1 37 LEU O 1 41 LEU H 2.100 . 2.600 1.946 1.645 2.372 . 0 0 "[ . 1 . 2]" 3
31 1 41 LEU O 1 45 LEU N 3.000 2.500 3.500 2.987 2.734 3.416 . 0 0 "[ . 1 . 2]" 3
32 1 41 LEU O 1 45 LEU H 2.100 . 2.600 2.051 1.762 2.541 . 0 0 "[ . 1 . 2]" 3
33 1 51 VAL O 1 55 ASP N 3.000 2.500 3.500 2.792 2.573 3.014 . 0 0 "[ . 1 . 2]" 3
34 1 51 VAL O 1 55 ASP H 2.100 . 2.600 1.883 1.647 2.137 . 0 0 "[ . 1 . 2]" 3
35 1 55 ASP O 1 59 LYS N 3.000 2.500 3.500 2.789 2.651 2.985 . 0 0 "[ . 1 . 2]" 3
36 1 55 ASP O 1 59 LYS H 2.100 . 2.600 1.830 1.685 2.008 . 0 0 "[ . 1 . 2]" 3
37 1 59 LYS O 1 63 GLU N 3.000 2.500 3.500 3.214 2.891 3.369 . 0 0 "[ . 1 . 2]" 3
38 1 59 LYS O 1 63 GLU H 2.100 . 2.600 2.329 1.946 2.532 . 0 0 "[ . 1 . 2]" 3
39 1 28 LEU O 1 69 VAL N 3.000 2.500 3.500 3.194 2.912 3.365 . 0 0 "[ . 1 . 2]" 3
40 1 28 LEU O 1 69 VAL H 2.100 . 2.600 2.278 1.966 2.509 . 0 0 "[ . 1 . 2]" 3
41 1 70 ASP O 1 74 TYR N 3.000 2.500 3.500 3.218 2.948 3.518 0.018 16 0 "[ . 1 . 2]" 3
42 1 70 ASP O 1 74 TYR H 2.100 . 2.600 2.346 2.029 2.599 . 0 0 "[ . 1 . 2]" 3
43 1 71 PHE O 1 75 VAL N 3.000 2.500 3.500 3.166 3.009 3.411 . 0 0 "[ . 1 . 2]" 3
44 1 71 PHE O 1 75 VAL H 2.100 . 2.600 2.371 2.227 2.546 . 0 0 "[ . 1 . 2]" 3
45 1 73 GLU O 1 76 VAL N 3.000 2.500 3.500 3.100 2.892 3.394 . 0 0 "[ . 1 . 2]" 3
46 1 73 GLU O 1 76 VAL H 2.100 . 2.600 2.359 2.152 2.630 0.030 9 0 "[ . 1 . 2]" 3
47 1 74 TYR O 1 78 VAL N 3.000 2.500 3.500 3.452 3.331 3.520 0.020 2 0 "[ . 1 . 2]" 3
48 1 74 TYR O 1 78 VAL H 2.100 . 2.600 2.492 2.364 2.564 . 0 0 "[ . 1 . 2]" 3
49 1 77 LEU O 1 81 LEU N 3.000 2.500 3.500 3.074 3.018 3.204 . 0 0 "[ . 1 . 2]" 3
50 1 77 LEU O 1 81 LEU H 2.100 . 2.600 2.140 2.063 2.286 . 0 0 "[ . 1 . 2]" 3
51 1 79 ALA O 1 83 VAL N 3.000 2.500 3.500 3.173 2.895 3.466 . 0 0 "[ . 1 . 2]" 3
52 1 79 ALA O 1 83 VAL H 2.100 . 2.600 2.269 1.990 2.584 . 0 0 "[ . 1 . 2]" 3
53 1 82 THR O 1 86 ASN N 3.000 2.500 3.500 2.812 2.592 3.045 . 0 0 "[ . 1 . 2]" 3
54 1 82 THR O 1 86 ASN H 2.100 . 2.600 1.912 1.693 2.240 . 0 0 "[ . 1 . 2]" 3
55 2 3 GLU O 2 7 ALA N 3.000 2.500 3.500 2.908 2.654 3.213 . 0 0 "[ . 1 . 2]" 3
56 2 3 GLU O 2 7 ALA H 2.100 . 2.600 2.033 1.785 2.355 . 0 0 "[ . 1 . 2]" 3
57 2 4 LEU O 2 8 MET N 3.000 2.500 3.500 3.221 3.013 3.417 . 0 0 "[ . 1 . 2]" 3
58 2 4 LEU O 2 8 MET H 2.100 . 2.600 2.283 2.079 2.481 . 0 0 "[ . 1 . 2]" 3
59 2 7 ALA O 2 10 THR N 3.000 2.500 3.500 2.955 2.665 3.204 . 0 0 "[ . 1 . 2]" 3
60 2 7 ALA O 2 10 THR H 2.100 . 2.600 2.263 1.934 2.591 . 0 0 "[ . 1 . 2]" 3
61 2 8 MET O 2 12 ILE N 3.000 2.500 3.500 3.091 2.816 3.342 . 0 0 "[ . 1 . 2]" 3
62 2 8 MET O 2 12 ILE H 2.100 . 2.600 2.154 1.858 2.455 . 0 0 "[ . 1 . 2]" 3
63 2 10 THR O 2 13 ASN N 3.000 2.500 3.500 3.111 2.927 3.402 . 0 0 "[ . 1 . 2]" 3
64 2 10 THR O 2 13 ASN H 2.100 . 2.600 2.510 2.310 2.609 0.009 7 0 "[ . 1 . 2]" 3
65 2 10 THR O 2 14 VAL N 3.000 2.500 3.500 3.176 2.905 3.501 0.001 19 0 "[ . 1 . 2]" 3
66 2 10 THR O 2 14 VAL H 2.100 . 2.600 2.235 1.939 2.571 . 0 0 "[ . 1 . 2]" 3
67 2 11 LEU O 2 15 PHE N 3.000 2.500 3.500 3.022 2.791 3.261 . 0 0 "[ . 1 . 2]" 3
68 2 11 LEU O 2 15 PHE H 2.100 . 2.600 2.079 1.828 2.303 . 0 0 "[ . 1 . 2]" 3
69 2 13 ASN O 2 17 ALA N 3.000 2.500 3.500 3.153 2.808 3.387 . 0 0 "[ . 1 . 2]" 3
70 2 13 ASN O 2 17 ALA H 2.100 . 2.600 2.404 1.990 2.610 0.010 8 0 "[ . 1 . 2]" 3
71 2 29 SER O 2 33 LEU N 3.000 2.500 3.500 2.871 2.519 3.171 . 0 0 "[ . 1 . 2]" 3
72 2 29 SER O 2 33 LEU H 2.100 . 2.600 2.045 1.637 2.312 . 0 0 "[ . 1 . 2]" 3
73 2 30 LYS O 2 34 LYS N 3.000 2.500 3.500 3.138 2.786 3.358 . 0 0 "[ . 1 . 2]" 3
74 2 30 LYS O 2 34 LYS H 2.100 . 2.600 2.264 1.862 2.476 . 0 0 "[ . 1 . 2]" 3
75 2 32 GLN O 2 36 LEU N 3.000 2.500 3.500 2.949 2.601 3.166 . 0 0 "[ . 1 . 2]" 3
76 2 32 GLN O 2 36 LEU H 2.100 . 2.600 1.998 1.626 2.233 . 0 0 "[ . 1 . 2]" 3
77 2 33 LEU O 2 37 LEU N 3.000 2.500 3.500 2.743 2.608 2.903 . 0 0 "[ . 1 . 2]" 3
78 2 33 LEU O 2 37 LEU H 2.100 . 2.600 1.799 1.695 1.947 . 0 0 "[ . 1 . 2]" 3
79 2 35 GLU O 2 39 THR N 3.000 2.500 3.500 2.644 2.494 3.488 0.006 9 0 "[ . 1 . 2]" 3
80 2 35 GLU O 2 39 THR H 2.100 . 2.600 1.747 1.628 2.519 . 0 0 "[ . 1 . 2]" 3
81 2 36 LEU O 2 40 GLU N 3.000 2.500 3.500 3.152 2.878 3.361 . 0 0 "[ . 1 . 2]" 3
82 2 36 LEU O 2 40 GLU H 2.100 . 2.600 2.234 1.902 2.562 . 0 0 "[ . 1 . 2]" 3
83 2 37 LEU O 2 41 LEU N 3.000 2.500 3.500 2.882 2.603 3.256 . 0 0 "[ . 1 . 2]" 3
84 2 37 LEU O 2 41 LEU H 2.100 . 2.600 1.946 1.646 2.372 . 0 0 "[ . 1 . 2]" 3
85 2 41 LEU O 2 45 LEU N 3.000 2.500 3.500 2.987 2.735 3.415 . 0 0 "[ . 1 . 2]" 3
86 2 41 LEU O 2 45 LEU H 2.100 . 2.600 2.051 1.763 2.541 . 0 0 "[ . 1 . 2]" 3
87 2 51 VAL O 2 55 ASP N 3.000 2.500 3.500 2.792 2.573 3.013 . 0 0 "[ . 1 . 2]" 3
88 2 51 VAL O 2 55 ASP H 2.100 . 2.600 1.883 1.648 2.137 . 0 0 "[ . 1 . 2]" 3
89 2 55 ASP O 2 59 LYS N 3.000 2.500 3.500 2.789 2.652 2.986 . 0 0 "[ . 1 . 2]" 3
90 2 55 ASP O 2 59 LYS H 2.100 . 2.600 1.830 1.684 2.009 . 0 0 "[ . 1 . 2]" 3
91 2 59 LYS O 2 63 GLU N 3.000 2.500 3.500 3.214 2.891 3.368 . 0 0 "[ . 1 . 2]" 3
92 2 59 LYS O 2 63 GLU H 2.100 . 2.600 2.328 1.946 2.531 . 0 0 "[ . 1 . 2]" 3
93 2 28 LEU O 2 69 VAL N 3.000 2.500 3.500 3.194 2.912 3.363 . 0 0 "[ . 1 . 2]" 3
94 2 28 LEU O 2 69 VAL H 2.100 . 2.600 2.278 1.963 2.508 . 0 0 "[ . 1 . 2]" 3
95 2 70 ASP O 2 74 TYR N 3.000 2.500 3.500 3.218 2.949 3.516 0.016 16 0 "[ . 1 . 2]" 3
96 2 70 ASP O 2 74 TYR H 2.100 . 2.600 2.346 2.029 2.598 . 0 0 "[ . 1 . 2]" 3
97 2 71 PHE O 2 75 VAL N 3.000 2.500 3.500 3.166 3.008 3.411 . 0 0 "[ . 1 . 2]" 3
98 2 71 PHE O 2 75 VAL H 2.100 . 2.600 2.371 2.226 2.545 . 0 0 "[ . 1 . 2]" 3
99 2 73 GLU O 2 76 VAL N 3.000 2.500 3.500 3.100 2.894 3.395 . 0 0 "[ . 1 . 2]" 3
100 2 73 GLU O 2 76 VAL H 2.100 . 2.600 2.360 2.153 2.630 0.030 9 0 "[ . 1 . 2]" 3
101 2 74 TYR O 2 78 VAL N 3.000 2.500 3.500 3.451 3.331 3.519 0.019 2 0 "[ . 1 . 2]" 3
102 2 74 TYR O 2 78 VAL H 2.100 . 2.600 2.492 2.363 2.564 . 0 0 "[ . 1 . 2]" 3
103 2 77 LEU O 2 81 LEU N 3.000 2.500 3.500 3.074 3.017 3.205 . 0 0 "[ . 1 . 2]" 3
104 2 77 LEU O 2 81 LEU H 2.100 . 2.600 2.140 2.063 2.286 . 0 0 "[ . 1 . 2]" 3
105 2 79 ALA O 2 83 VAL N 3.000 2.500 3.500 3.173 2.895 3.465 . 0 0 "[ . 1 . 2]" 3
106 2 79 ALA O 2 83 VAL H 2.100 . 2.600 2.268 1.991 2.583 . 0 0 "[ . 1 . 2]" 3
107 2 82 THR O 2 86 ASN N 3.000 2.500 3.500 2.812 2.592 3.046 . 0 0 "[ . 1 . 2]" 3
108 2 82 THR O 2 86 ASN H 2.100 . 2.600 1.912 1.692 2.239 . 0 0 "[ . 1 . 2]" 3
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