NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393597 |
1qmc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qmc
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 1878
_Distance_constraint_stats_list.Viol_count 6130
_Distance_constraint_stats_list.Viol_total 8359.632
_Distance_constraint_stats_list.Viol_max 0.180
_Distance_constraint_stats_list.Viol_rms 0.0115
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0325
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 6.158 0.146 1 0 "[ . 1 . 2 . 3 . 4 ]"
1 3 GLN 5.084 0.083 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 4 ASN 4.178 0.078 37 0 "[ . 1 . 2 . 3 . 4 ]"
1 5 PHE 10.355 0.141 31 0 "[ . 1 . 2 . 3 . 4 ]"
1 6 ARG 1.315 0.055 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 7 VAL 3.641 0.052 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 8 TYR 4.895 0.070 16 0 "[ . 1 . 2 . 3 . 4 ]"
1 9 TYR 7.266 0.080 34 0 "[ . 1 . 2 . 3 . 4 ]"
1 10 ARG 2.550 0.099 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 11 ASP 6.010 0.180 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 12 SER 7.351 0.130 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 13 ARG 3.953 0.071 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 14 ASN 10.515 0.180 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 15 PRO 1.682 0.092 21 0 "[ . 1 . 2 . 3 . 4 ]"
1 16 LEU 4.266 0.111 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 17 TRP 3.893 0.111 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 18 LYS 2.945 0.095 18 0 "[ . 1 . 2 . 3 . 4 ]"
1 19 GLY 2.057 0.095 18 0 "[ . 1 . 2 . 3 . 4 ]"
1 20 PRO 2.663 0.090 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 21 ALA 6.803 0.090 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 22 LYS 1.218 0.068 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 23 LEU 0.965 0.046 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 24 LEU 0.259 0.028 4 0 "[ . 1 . 2 . 3 . 4 ]"
1 25 TRP 7.101 0.160 17 0 "[ . 1 . 2 . 3 . 4 ]"
1 26 LYS 0.709 0.074 14 0 "[ . 1 . 2 . 3 . 4 ]"
1 27 GLY 3.760 0.082 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 28 GLU 4.994 0.113 12 0 "[ . 1 . 2 . 3 . 4 ]"
1 29 GLY 1.887 0.058 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 30 ALA 4.184 0.100 32 0 "[ . 1 . 2 . 3 . 4 ]"
1 31 VAL 1.495 0.059 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 32 VAL 3.325 0.143 31 0 "[ . 1 . 2 . 3 . 4 ]"
1 33 ILE 4.314 0.081 21 0 "[ . 1 . 2 . 3 . 4 ]"
1 34 GLN 2.249 0.068 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 35 ASP 1.663 0.065 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 36 ASN 4.770 0.136 25 0 "[ . 1 . 2 . 3 . 4 ]"
1 37 SER 1.912 0.052 34 0 "[ . 1 . 2 . 3 . 4 ]"
1 38 ASP 5.281 0.136 25 0 "[ . 1 . 2 . 3 . 4 ]"
1 39 ILE 4.120 0.082 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 40 LYS 4.116 0.082 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 41 VAL 3.588 0.067 37 0 "[ . 1 . 2 . 3 . 4 ]"
1 42 VAL 2.228 0.067 37 0 "[ . 1 . 2 . 3 . 4 ]"
1 43 PRO 0.078 0.021 29 0 "[ . 1 . 2 . 3 . 4 ]"
1 44 ARG 2.193 0.058 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 46 LYS 0.544 0.030 9 0 "[ . 1 . 2 . 3 . 4 ]"
1 47 ALA 3.813 0.060 20 0 "[ . 1 . 2 . 3 . 4 ]"
1 48 LYS 3.339 0.112 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 49 ILE 0.853 0.075 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 50 ILE 3.041 0.064 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 51 ARG 1.561 0.096 32 0 "[ . 1 . 2 . 3 . 4 ]"
1 52 ASP 3.563 0.093 39 0 "[ . 1 . 2 . 3 . 4 ]"
2 2 ILE 6.126 0.146 1 0 "[ . 1 . 2 . 3 . 4 ]"
2 3 GLN 5.084 0.082 13 0 "[ . 1 . 2 . 3 . 4 ]"
2 4 ASN 4.190 0.079 37 0 "[ . 1 . 2 . 3 . 4 ]"
2 5 PHE 10.336 0.140 31 0 "[ . 1 . 2 . 3 . 4 ]"
2 6 ARG 1.313 0.055 26 0 "[ . 1 . 2 . 3 . 4 ]"
2 7 VAL 3.632 0.053 15 0 "[ . 1 . 2 . 3 . 4 ]"
2 8 TYR 4.897 0.070 16 0 "[ . 1 . 2 . 3 . 4 ]"
2 9 TYR 7.257 0.080 34 0 "[ . 1 . 2 . 3 . 4 ]"
2 10 ARG 2.539 0.098 27 0 "[ . 1 . 2 . 3 . 4 ]"
2 11 ASP 6.010 0.180 13 0 "[ . 1 . 2 . 3 . 4 ]"
2 12 SER 7.345 0.130 27 0 "[ . 1 . 2 . 3 . 4 ]"
2 13 ARG 3.965 0.071 27 0 "[ . 1 . 2 . 3 . 4 ]"
2 14 ASN 10.503 0.180 13 0 "[ . 1 . 2 . 3 . 4 ]"
2 15 PRO 1.683 0.092 21 0 "[ . 1 . 2 . 3 . 4 ]"
2 16 LEU 4.255 0.113 27 0 "[ . 1 . 2 . 3 . 4 ]"
2 17 TRP 3.862 0.113 27 0 "[ . 1 . 2 . 3 . 4 ]"
2 18 LYS 2.947 0.093 18 0 "[ . 1 . 2 . 3 . 4 ]"
2 19 GLY 2.049 0.093 18 0 "[ . 1 . 2 . 3 . 4 ]"
2 20 PRO 2.668 0.090 23 0 "[ . 1 . 2 . 3 . 4 ]"
2 21 ALA 6.810 0.090 23 0 "[ . 1 . 2 . 3 . 4 ]"
2 22 LYS 1.221 0.066 39 0 "[ . 1 . 2 . 3 . 4 ]"
2 23 LEU 0.966 0.048 40 0 "[ . 1 . 2 . 3 . 4 ]"
2 24 LEU 0.306 0.030 37 0 "[ . 1 . 2 . 3 . 4 ]"
2 25 TRP 7.035 0.143 31 0 "[ . 1 . 2 . 3 . 4 ]"
2 26 LYS 0.706 0.074 14 0 "[ . 1 . 2 . 3 . 4 ]"
2 27 GLY 3.764 0.082 15 0 "[ . 1 . 2 . 3 . 4 ]"
2 28 GLU 5.004 0.112 12 0 "[ . 1 . 2 . 3 . 4 ]"
2 29 GLY 1.876 0.058 39 0 "[ . 1 . 2 . 3 . 4 ]"
2 30 ALA 4.170 0.104 32 0 "[ . 1 . 2 . 3 . 4 ]"
2 31 VAL 1.481 0.059 33 0 "[ . 1 . 2 . 3 . 4 ]"
2 32 VAL 3.382 0.160 17 0 "[ . 1 . 2 . 3 . 4 ]"
2 33 ILE 4.296 0.081 21 0 "[ . 1 . 2 . 3 . 4 ]"
2 34 GLN 2.248 0.066 39 0 "[ . 1 . 2 . 3 . 4 ]"
2 35 ASP 1.648 0.064 24 0 "[ . 1 . 2 . 3 . 4 ]"
2 36 ASN 4.787 0.137 25 0 "[ . 1 . 2 . 3 . 4 ]"
2 37 SER 1.914 0.052 41 0 "[ . 1 . 2 . 3 . 4 ]"
2 38 ASP 5.283 0.137 25 0 "[ . 1 . 2 . 3 . 4 ]"
2 39 ILE 4.028 0.083 33 0 "[ . 1 . 2 . 3 . 4 ]"
2 40 LYS 4.111 0.083 33 0 "[ . 1 . 2 . 3 . 4 ]"
2 41 VAL 3.610 0.068 37 0 "[ . 1 . 2 . 3 . 4 ]"
2 42 VAL 2.230 0.068 37 0 "[ . 1 . 2 . 3 . 4 ]"
2 43 PRO 0.077 0.021 29 0 "[ . 1 . 2 . 3 . 4 ]"
2 44 ARG 2.175 0.058 39 0 "[ . 1 . 2 . 3 . 4 ]"
2 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 46 LYS 0.541 0.030 9 0 "[ . 1 . 2 . 3 . 4 ]"
2 47 ALA 3.791 0.061 20 0 "[ . 1 . 2 . 3 . 4 ]"
2 48 LYS 3.322 0.108 26 0 "[ . 1 . 2 . 3 . 4 ]"
2 49 ILE 0.867 0.075 39 0 "[ . 1 . 2 . 3 . 4 ]"
2 50 ILE 3.039 0.066 23 0 "[ . 1 . 2 . 3 . 4 ]"
2 51 ARG 1.566 0.096 32 0 "[ . 1 . 2 . 3 . 4 ]"
2 52 ASP 3.572 0.094 39 0 "[ . 1 . 2 . 3 . 4 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ILE H 1 2 ILE HA 3.000 . 3.500 2.838 2.772 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
2 2 2 ILE H 2 2 ILE HA 3.000 . 3.500 2.838 2.772 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
3 1 2 ILE H 1 2 ILE HB 3.000 . 3.500 3.596 3.578 3.646 0.146 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
4 2 2 ILE H 2 2 ILE HB 3.000 . 3.500 3.595 3.577 3.646 0.146 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
5 1 2 ILE H 1 2 ILE MD 3.500 . 4.000 3.261 1.933 3.723 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
6 2 2 ILE H 2 2 ILE MD 3.500 . 4.000 3.261 1.930 3.722 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
7 1 2 ILE H 1 2 ILE QG 2.180 . 2.680 2.023 1.924 2.284 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
8 2 2 ILE H 2 2 ILE QG 2.180 . 2.680 2.023 1.923 2.284 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
9 1 2 ILE H 1 2 ILE MG 2.500 . 3.000 2.761 2.424 3.083 0.083 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
10 2 2 ILE H 2 2 ILE MG 2.500 . 3.000 2.761 2.423 3.082 0.082 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
11 1 2 ILE HA 1 3 GLN QG 4.500 . 5.000 3.233 3.057 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
12 2 2 ILE HA 2 3 GLN QG 4.500 . 5.000 3.233 3.057 3.486 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
13 1 2 ILE HA 1 3 GLN H 2.500 . 3.000 2.368 2.181 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
14 2 2 ILE HA 2 3 GLN H 2.500 . 3.000 2.368 2.182 2.554 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
15 1 2 ILE HB 1 3 GLN H 2.500 . 3.000 2.457 2.050 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
16 2 2 ILE HB 2 3 GLN H 2.500 . 3.000 2.457 2.052 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
17 1 2 ILE MG 1 3 GLN H 3.500 . 4.000 3.328 3.132 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
18 2 2 ILE MG 2 3 GLN H 3.500 . 4.000 3.328 3.130 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
19 1 2 ILE H 1 3 GLN H 4.500 . 5.000 4.590 4.474 4.646 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
20 2 2 ILE H 2 3 GLN H 4.500 . 5.000 4.590 4.475 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
21 1 2 ILE MG 1 4 ASN H 4.500 . 5.000 4.960 4.746 5.039 0.039 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
22 2 2 ILE MG 2 4 ASN H 4.500 . 5.000 4.960 4.746 5.039 0.039 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
23 1 2 ILE HA 1 5 PHE QD 4.500 . 5.000 3.372 2.843 3.713 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
24 2 2 ILE HA 2 5 PHE QD 4.500 . 5.000 3.371 2.841 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
25 1 2 ILE HB 1 5 PHE QD 4.500 . 5.000 2.646 2.191 3.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
26 2 2 ILE HB 2 5 PHE QD 4.500 . 5.000 2.645 2.190 3.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
27 1 2 ILE HB 1 5 PHE QE 4.500 . 5.000 3.433 2.829 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
28 2 2 ILE HB 2 5 PHE QE 4.500 . 5.000 3.433 2.830 4.031 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
29 1 2 ILE HB 1 5 PHE H 4.500 . 5.000 4.185 3.886 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
30 2 2 ILE HB 2 5 PHE H 4.500 . 5.000 4.185 3.887 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
31 1 2 ILE MD 1 5 PHE QD 4.500 . 5.000 4.300 3.756 4.981 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
32 2 2 ILE MD 2 5 PHE QD 4.500 . 5.000 4.299 3.756 4.980 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
33 1 2 ILE QG 1 5 PHE QE 4.500 . 5.000 4.775 4.439 5.003 0.003 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
34 2 2 ILE QG 2 5 PHE QE 4.500 . 5.000 4.775 4.439 5.002 0.002 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
35 1 2 ILE MG 1 5 PHE QD 2.100 . 2.600 2.615 2.462 2.692 0.092 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
36 2 2 ILE MG 2 5 PHE QD 2.100 . 2.600 2.615 2.461 2.690 0.090 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
37 1 2 ILE MG 1 5 PHE QE 3.000 . 3.500 2.745 2.361 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
38 2 2 ILE MG 2 5 PHE QE 3.000 . 3.500 2.745 2.361 3.124 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
39 1 2 ILE HB 1 23 LEU MD2 4.500 . 5.000 2.288 2.014 2.665 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
40 2 2 ILE HB 2 23 LEU MD2 4.500 . 5.000 2.289 2.013 2.666 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
41 1 2 ILE MG 1 23 LEU MD2 2.100 . 2.600 1.868 1.755 2.527 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
42 2 2 ILE MG 2 23 LEU MD2 2.100 . 2.600 1.868 1.754 2.526 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
43 1 2 ILE MD 1 25 TRP H 6.000 . 6.500 5.117 4.253 6.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
44 2 2 ILE MD 2 25 TRP H 6.000 . 6.500 5.117 4.254 6.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
45 1 2 ILE MD 1 26 LYS H 4.500 . 5.000 4.807 4.021 5.025 0.025 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
46 2 2 ILE MD 2 26 LYS H 4.500 . 5.000 4.807 4.021 5.024 0.024 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
47 1 3 GLN H 1 3 GLN HA 3.000 . 3.500 2.925 2.893 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
48 2 3 GLN H 2 3 GLN HA 3.000 . 3.500 2.926 2.892 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
49 1 3 GLN H 1 3 GLN QB 2.500 . 3.000 2.844 2.673 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
50 2 3 GLN H 2 3 GLN QB 2.500 . 3.000 2.843 2.675 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
51 1 3 GLN QE 1 3 GLN QG 2.100 . 2.600 2.209 2.063 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
52 2 3 GLN QE 2 3 GLN QG 2.100 . 2.600 2.209 2.065 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
53 1 3 GLN H 1 3 GLN QE 4.500 . 5.000 4.688 3.971 5.048 0.048 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
54 2 3 GLN H 2 3 GLN QE 4.500 . 5.000 4.688 3.972 5.046 0.046 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
55 1 3 GLN H 1 3 GLN QG 2.500 . 3.000 2.784 2.479 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
56 2 3 GLN H 2 3 GLN QG 2.500 . 3.000 2.784 2.479 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
57 1 3 GLN HA 1 4 ASN QB 4.500 . 5.000 4.765 4.416 5.011 0.011 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
58 2 3 GLN HA 2 4 ASN QB 4.500 . 5.000 4.766 4.415 5.011 0.011 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
59 1 3 GLN HA 1 4 ASN H 3.000 . 3.500 3.551 3.544 3.556 0.056 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
60 2 3 GLN HA 2 4 ASN H 3.000 . 3.500 3.551 3.544 3.558 0.058 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
61 1 3 GLN QB 1 4 ASN H 2.500 . 3.000 1.983 1.947 2.085 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
62 2 3 GLN QB 2 4 ASN H 2.500 . 3.000 1.983 1.948 2.086 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
63 1 3 GLN QG 1 4 ASN H 3.000 . 3.500 3.516 3.459 3.558 0.058 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
64 2 3 GLN QG 2 4 ASN H 3.000 . 3.500 3.516 3.460 3.557 0.057 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
65 1 3 GLN HA 1 5 PHE QD 4.500 . 5.000 4.876 4.610 5.055 0.055 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
66 2 3 GLN HA 2 5 PHE QD 4.500 . 5.000 4.876 4.610 5.055 0.055 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
67 1 3 GLN HA 1 5 PHE H 6.000 . 6.500 5.494 4.971 5.673 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
68 2 3 GLN HA 2 5 PHE H 6.000 . 6.500 5.494 4.972 5.671 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
69 1 3 GLN QB 1 5 PHE H 4.500 . 5.000 5.043 4.999 5.083 0.083 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
70 2 3 GLN QB 2 5 PHE H 4.500 . 5.000 5.043 4.998 5.082 0.082 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
71 1 3 GLN H 1 5 PHE QD 4.500 . 5.000 2.269 1.994 2.595 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
72 2 3 GLN H 2 5 PHE QD 4.500 . 5.000 2.269 1.996 2.595 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
73 1 3 GLN H 1 5 PHE QE 4.500 . 5.000 2.290 1.990 2.810 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
74 2 3 GLN H 2 5 PHE QE 4.500 . 5.000 2.290 1.991 2.811 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
75 1 4 ASN HA 1 4 ASN QB 2.100 . 2.600 2.262 2.163 2.543 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
76 2 4 ASN HA 2 4 ASN QB 2.100 . 2.600 2.262 2.163 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
77 1 4 ASN H 1 4 ASN HA 3.000 . 3.500 2.908 2.883 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
78 2 4 ASN H 2 4 ASN HA 3.000 . 3.500 2.908 2.882 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
79 1 4 ASN H 1 4 ASN QB 3.000 . 3.500 3.114 2.627 3.354 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
80 2 4 ASN H 2 4 ASN QB 3.000 . 3.500 3.114 2.626 3.353 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
81 1 4 ASN H 1 4 ASN QD 4.500 . 5.000 3.144 2.117 4.417 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
82 2 4 ASN H 2 4 ASN QD 4.500 . 5.000 3.145 2.117 4.416 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
83 1 4 ASN HA 1 5 PHE QD 6.000 . 6.500 4.064 3.744 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
84 2 4 ASN HA 2 5 PHE QD 6.000 . 6.500 4.064 3.744 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
85 1 4 ASN HA 1 5 PHE H 3.000 . 3.500 2.323 2.271 2.398 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
86 2 4 ASN HA 2 5 PHE H 3.000 . 3.500 2.323 2.271 2.398 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
87 1 4 ASN QB 1 5 PHE HA 4.500 . 5.000 4.495 4.348 4.742 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
88 2 4 ASN QB 2 5 PHE HA 4.500 . 5.000 4.495 4.350 4.742 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
89 1 4 ASN QD 1 5 PHE QD 4.500 . 5.000 4.802 4.319 5.078 0.078 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
90 2 4 ASN QD 2 5 PHE QD 4.500 . 5.000 4.802 4.320 5.079 0.079 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
91 1 4 ASN H 1 5 PHE QD 4.500 . 5.000 2.967 2.584 3.208 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
92 2 4 ASN H 2 5 PHE QD 4.500 . 5.000 2.967 2.585 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
93 1 4 ASN H 1 5 PHE QE 4.500 . 5.000 3.614 3.235 4.009 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
94 2 4 ASN H 2 5 PHE QE 4.500 . 5.000 3.614 3.235 4.009 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
95 1 4 ASN H 1 5 PHE H 3.000 . 3.500 3.363 3.250 3.499 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
96 2 4 ASN H 2 5 PHE H 3.000 . 3.500 3.363 3.249 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
97 1 4 ASN QB 1 52 ASP QB 3.500 . 4.000 2.888 2.461 3.753 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
98 2 4 ASN QB 2 52 ASP QB 3.500 . 4.000 2.888 2.462 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
99 1 4 ASN QB 1 52 ASP H 4.500 . 5.000 4.400 3.950 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
100 2 4 ASN QB 2 52 ASP H 4.500 . 5.000 4.400 3.949 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
101 1 4 ASN H 1 52 ASP H 6.000 . 6.500 4.852 4.375 5.226 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
102 2 4 ASN H 2 52 ASP H 6.000 . 6.500 4.852 4.374 5.226 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
103 1 5 PHE HA 1 5 PHE QB 1.820 . 2.320 2.423 2.395 2.461 0.141 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
104 2 5 PHE HA 2 5 PHE QB 1.820 . 2.320 2.423 2.394 2.460 0.140 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
105 1 5 PHE HA 1 5 PHE QD 3.000 . 3.500 3.055 2.914 3.116 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
106 2 5 PHE HA 2 5 PHE QD 3.000 . 3.500 3.055 2.914 3.115 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
107 1 5 PHE HA 1 5 PHE QE 6.000 . 6.500 4.589 4.532 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
108 2 5 PHE HA 2 5 PHE QE 6.000 . 6.500 4.589 4.531 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
109 1 5 PHE H 1 5 PHE HA 3.000 . 3.500 2.932 2.915 2.943 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
110 2 5 PHE H 2 5 PHE HA 3.000 . 3.500 2.932 2.917 2.943 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
111 1 5 PHE QB 1 5 PHE QD 1.820 . 2.320 2.125 2.121 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
112 2 5 PHE QB 2 5 PHE QD 1.820 . 2.320 2.125 2.122 2.133 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
113 1 5 PHE H 1 5 PHE QB 3.000 . 3.500 2.347 2.276 2.415 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
114 2 5 PHE H 2 5 PHE QB 3.000 . 3.500 2.348 2.276 2.417 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
115 1 5 PHE H 1 5 PHE QD 3.000 . 3.500 2.573 2.354 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
116 2 5 PHE H 2 5 PHE QD 3.000 . 3.500 2.574 2.355 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
117 1 5 PHE H 1 5 PHE QE 6.000 . 6.500 4.809 4.648 5.105 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
118 2 5 PHE H 2 5 PHE QE 6.000 . 6.500 4.809 4.649 5.104 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
119 1 5 PHE HA 1 6 ARG HA 6.000 . 6.500 4.361 4.340 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
120 2 5 PHE HA 2 6 ARG HA 6.000 . 6.500 4.361 4.341 4.371 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
121 1 5 PHE HA 1 6 ARG H 2.100 . 2.600 2.164 2.141 2.206 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
122 2 5 PHE HA 2 6 ARG H 2.100 . 2.600 2.164 2.140 2.206 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
123 1 5 PHE QB 1 6 ARG H 2.620 . 3.120 3.104 2.855 3.161 0.041 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
124 2 5 PHE QB 2 6 ARG H 2.620 . 3.120 3.104 2.855 3.160 0.040 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
125 1 5 PHE QD 1 6 ARG H 4.500 . 5.000 4.031 3.877 4.280 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
126 2 5 PHE QD 2 6 ARG H 4.500 . 5.000 4.031 3.877 4.280 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
127 1 5 PHE H 1 6 ARG H 4.500 . 5.000 4.478 4.419 4.512 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
128 2 5 PHE H 2 6 ARG H 4.500 . 5.000 4.478 4.418 4.512 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
129 1 5 PHE QB 1 7 VAL MG2 4.500 . 5.000 3.050 2.905 3.321 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
130 2 5 PHE QB 2 7 VAL MG2 4.500 . 5.000 3.050 2.904 3.321 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
131 1 5 PHE H 1 22 LYS HA 4.500 . 5.000 4.963 4.692 5.047 0.047 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
132 2 5 PHE H 2 22 LYS HA 4.500 . 5.000 4.963 4.691 5.047 0.047 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
133 1 5 PHE QB 1 23 LEU MD2 2.620 . 3.120 2.190 1.834 2.729 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
134 2 5 PHE QB 2 23 LEU MD2 2.620 . 3.120 2.190 1.834 2.728 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
135 1 5 PHE QD 1 23 LEU MD2 3.000 . 3.500 2.940 2.532 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
136 2 5 PHE QD 2 23 LEU MD2 3.000 . 3.500 2.940 2.533 3.234 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
137 1 5 PHE QE 1 23 LEU MD2 4.500 . 5.000 4.237 3.869 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
138 2 5 PHE QE 2 23 LEU MD2 4.500 . 5.000 4.237 3.869 4.524 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
139 1 5 PHE H 1 23 LEU MD1 4.500 . 5.000 5.004 4.897 5.035 0.035 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
140 2 5 PHE H 2 23 LEU MD1 4.500 . 5.000 5.004 4.895 5.035 0.035 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
141 1 5 PHE H 1 23 LEU MD2 4.500 . 5.000 3.502 3.210 3.805 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
142 2 5 PHE H 2 23 LEU MD2 4.500 . 5.000 3.502 3.212 3.804 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
143 1 5 PHE H 1 23 LEU H 4.500 . 5.000 3.599 3.322 3.780 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
144 2 5 PHE H 2 23 LEU H 4.500 . 5.000 3.599 3.323 3.781 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
145 1 5 PHE HA 1 49 ILE MD 6.000 . 6.500 5.859 4.419 6.489 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
146 2 5 PHE HA 2 49 ILE MD 6.000 . 6.500 5.859 4.419 6.490 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
147 1 5 PHE QB 1 49 ILE MG 3.500 . 4.000 2.828 2.123 4.075 0.075 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
148 2 5 PHE QB 2 49 ILE MG 3.500 . 4.000 2.828 2.123 4.075 0.075 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
149 1 5 PHE QD 1 49 ILE HB 6.000 . 6.500 5.033 4.411 5.604 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
150 2 5 PHE QD 2 49 ILE HB 6.000 . 6.500 5.033 4.409 5.604 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
151 1 5 PHE QD 1 49 ILE MG 3.500 . 4.000 2.963 2.194 4.016 0.016 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
152 2 5 PHE QD 2 49 ILE MG 3.500 . 4.000 2.963 2.194 4.017 0.017 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
153 1 5 PHE H 1 49 ILE MD 6.000 . 6.500 5.875 4.160 6.508 0.008 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
154 2 5 PHE H 2 49 ILE MD 6.000 . 6.500 5.875 4.160 6.509 0.009 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
155 1 5 PHE HA 1 50 ILE H 4.500 . 5.000 4.497 4.156 4.909 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
156 2 5 PHE HA 2 50 ILE H 4.500 . 5.000 4.497 4.157 4.909 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
157 1 5 PHE QD 1 50 ILE HA 4.500 . 5.000 3.520 3.311 3.813 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
158 2 5 PHE QD 2 50 ILE HA 4.500 . 5.000 3.520 3.310 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
159 1 5 PHE QD 1 50 ILE HB 4.500 . 5.000 4.992 4.834 5.056 0.056 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
160 2 5 PHE QD 2 50 ILE HB 4.500 . 5.000 4.992 4.833 5.057 0.057 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
161 1 5 PHE QE 1 50 ILE HA 6.000 . 6.500 4.822 4.248 5.190 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
162 2 5 PHE QE 2 50 ILE HA 6.000 . 6.500 4.822 4.248 5.190 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
163 1 5 PHE HA 1 51 ARG HA 2.100 . 2.600 2.374 2.026 2.543 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
164 2 5 PHE HA 2 51 ARG HA 2.100 . 2.600 2.374 2.026 2.543 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
165 1 5 PHE HA 1 51 ARG H 4.500 . 5.000 4.832 4.705 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
166 2 5 PHE HA 2 51 ARG H 4.500 . 5.000 4.832 4.704 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
167 1 5 PHE QB 1 51 ARG HA 4.500 . 5.000 3.502 3.241 3.684 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
168 2 5 PHE QB 2 51 ARG HA 4.500 . 5.000 3.502 3.240 3.685 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
169 1 5 PHE QD 1 51 ARG HA 3.000 . 3.500 2.602 2.178 2.996 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
170 2 5 PHE QD 2 51 ARG HA 3.000 . 3.500 2.602 2.178 2.997 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
171 1 5 PHE QD 1 51 ARG QB 3.000 . 3.500 3.137 2.288 3.503 0.003 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
172 2 5 PHE QD 2 51 ARG QB 3.000 . 3.500 3.137 2.288 3.504 0.004 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
173 1 5 PHE QD 1 51 ARG QD 4.500 . 5.000 4.458 3.932 4.870 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
174 2 5 PHE QD 2 51 ARG QD 4.500 . 5.000 4.458 3.932 4.871 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
175 1 5 PHE QD 1 51 ARG QG 4.500 . 5.000 3.508 3.053 4.080 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
176 2 5 PHE QD 2 51 ARG QG 4.500 . 5.000 3.508 3.054 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
177 1 5 PHE QD 1 51 ARG H 4.500 . 5.000 3.538 3.353 3.771 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
178 2 5 PHE QD 2 51 ARG H 4.500 . 5.000 3.538 3.354 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
179 1 5 PHE QE 1 51 ARG QB 2.100 . 2.600 2.430 1.876 2.664 0.064 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
180 2 5 PHE QE 2 51 ARG QB 2.100 . 2.600 2.430 1.877 2.664 0.064 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
181 1 5 PHE QE 1 51 ARG QD 3.000 . 3.500 2.994 2.126 3.574 0.074 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
182 2 5 PHE QE 2 51 ARG QD 3.000 . 3.500 2.994 2.126 3.572 0.072 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
183 1 5 PHE QE 1 51 ARG QG 3.000 . 3.500 2.955 2.523 3.596 0.096 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
184 2 5 PHE QE 2 51 ARG QG 3.000 . 3.500 2.956 2.524 3.596 0.096 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
185 1 5 PHE QE 1 51 ARG H 4.500 . 5.000 4.266 4.015 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
186 2 5 PHE QE 2 51 ARG H 4.500 . 5.000 4.266 4.016 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
187 1 5 PHE HA 1 52 ASP HA 4.500 . 5.000 4.753 4.452 5.009 0.009 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
188 2 5 PHE HA 2 52 ASP HA 4.500 . 5.000 4.753 4.451 5.008 0.008 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
189 1 5 PHE HA 1 52 ASP QB 4.500 . 5.000 3.688 3.256 4.791 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
190 2 5 PHE HA 2 52 ASP QB 4.500 . 5.000 3.688 3.257 4.792 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
191 1 5 PHE HA 1 52 ASP H 3.000 . 3.500 2.808 2.561 3.078 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
192 2 5 PHE HA 2 52 ASP H 3.000 . 3.500 2.808 2.562 3.077 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
193 1 5 PHE QD 1 52 ASP H 4.500 . 5.000 4.404 4.237 4.695 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
194 2 5 PHE QD 2 52 ASP H 4.500 . 5.000 4.404 4.235 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
195 1 6 ARG HA 1 6 ARG QD 4.500 . 5.000 3.937 3.597 4.163 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
196 2 6 ARG HA 2 6 ARG QD 4.500 . 5.000 3.937 3.598 4.164 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
197 1 6 ARG HA 1 7 VAL H 2.100 . 2.600 2.158 2.138 2.209 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
198 2 6 ARG HA 2 7 VAL H 2.100 . 2.600 2.157 2.138 2.210 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
199 1 6 ARG QB 1 7 VAL H 3.500 . 4.000 3.448 3.032 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
200 2 6 ARG QB 2 7 VAL H 3.500 . 4.000 3.448 3.033 3.612 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
201 1 6 ARG QB 1 8 TYR QD 4.500 . 5.000 4.022 3.626 4.247 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
202 2 6 ARG QB 2 8 TYR QD 4.500 . 5.000 4.022 3.627 4.249 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
203 1 6 ARG QB 1 8 TYR QE 2.620 . 3.120 2.721 2.233 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
204 2 6 ARG QB 2 8 TYR QE 2.620 . 3.120 2.721 2.232 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
205 1 6 ARG QD 1 8 TYR QE 4.500 . 5.000 3.638 3.045 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
206 2 6 ARG QD 2 8 TYR QE 4.500 . 5.000 3.638 3.045 4.476 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
207 1 6 ARG QB 1 20 PRO QB 3.500 . 4.000 1.878 1.828 2.069 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
208 2 6 ARG QB 2 20 PRO QB 3.500 . 4.000 1.878 1.828 2.069 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
209 1 6 ARG QD 1 20 PRO QB 4.500 . 5.000 2.523 1.970 3.912 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
210 2 6 ARG QD 2 20 PRO QB 4.500 . 5.000 2.523 1.970 3.911 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
211 1 6 ARG HA 1 21 ALA H 4.500 . 5.000 4.905 4.737 5.011 0.011 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
212 2 6 ARG HA 2 21 ALA H 4.500 . 5.000 4.904 4.737 5.010 0.010 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
213 1 6 ARG HA 1 22 LYS HA 4.500 . 5.000 4.173 3.615 4.576 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
214 2 6 ARG HA 2 22 LYS HA 4.500 . 5.000 4.173 3.615 4.576 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
215 1 6 ARG HA 1 23 LEU H 4.500 . 5.000 4.792 4.339 5.005 0.005 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
216 2 6 ARG HA 2 23 LEU H 4.500 . 5.000 4.791 4.341 5.005 0.005 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
217 1 6 ARG H 1 23 LEU H 6.000 . 6.500 6.045 5.672 6.261 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
218 2 6 ARG H 2 23 LEU H 6.000 . 6.500 6.044 5.672 6.261 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
219 1 6 ARG QB 1 50 ILE HB 3.500 . 4.000 2.392 1.959 2.665 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
220 2 6 ARG QB 2 50 ILE HB 3.500 . 4.000 2.392 1.959 2.666 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
221 1 6 ARG QB 1 50 ILE H 4.500 . 5.000 3.928 3.738 4.145 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
222 2 6 ARG QB 2 50 ILE H 4.500 . 5.000 3.928 3.738 4.145 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
223 1 6 ARG QD 1 50 ILE MD 4.500 . 5.000 4.429 3.716 4.932 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
224 2 6 ARG QD 2 50 ILE MD 4.500 . 5.000 4.429 3.717 4.933 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
225 1 6 ARG QD 1 50 ILE MG 4.500 . 5.000 4.120 3.127 5.012 0.012 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
226 2 6 ARG QD 2 50 ILE MG 4.500 . 5.000 4.120 3.127 5.014 0.014 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
227 1 6 ARG H 1 50 ILE HB 4.500 . 5.000 3.351 3.032 3.472 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
228 2 6 ARG H 2 50 ILE HB 4.500 . 5.000 3.351 3.032 3.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
229 1 6 ARG H 1 50 ILE QG 4.500 . 5.000 4.946 4.693 5.039 0.039 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
230 2 6 ARG H 2 50 ILE QG 4.500 . 5.000 4.946 4.693 5.038 0.038 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
231 1 6 ARG H 1 50 ILE MG 3.500 . 4.000 3.987 3.732 4.055 0.055 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
232 2 6 ARG H 2 50 ILE MG 3.500 . 4.000 3.987 3.732 4.055 0.055 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
233 1 6 ARG H 1 50 ILE H 4.500 . 5.000 3.507 3.259 3.706 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
234 2 6 ARG H 2 50 ILE H 4.500 . 5.000 3.507 3.259 3.707 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
235 1 6 ARG QB 1 51 ARG HA 4.500 . 5.000 4.803 4.478 5.013 0.013 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
236 2 6 ARG QB 2 51 ARG HA 4.500 . 5.000 4.802 4.478 5.013 0.013 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
237 1 6 ARG H 1 51 ARG HA 3.000 . 3.500 3.238 2.790 3.507 0.007 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
238 2 6 ARG H 2 51 ARG HA 3.000 . 3.500 3.238 2.790 3.507 0.007 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
239 1 6 ARG H 1 51 ARG H 4.500 . 5.000 4.465 4.289 4.665 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
240 2 6 ARG H 2 51 ARG H 4.500 . 5.000 4.465 4.290 4.666 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
241 1 6 ARG H 1 52 ASP H 4.500 . 5.000 3.671 3.252 3.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
242 2 6 ARG H 2 52 ASP H 4.500 . 5.000 3.671 3.254 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
243 1 7 VAL HA 1 7 VAL HB 3.000 . 3.500 3.018 3.012 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
244 2 7 VAL HA 2 7 VAL HB 3.000 . 3.500 3.018 3.013 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
245 1 7 VAL HA 1 7 VAL MG1 2.100 . 2.600 2.289 2.201 2.416 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
246 2 7 VAL HA 2 7 VAL MG1 2.100 . 2.600 2.289 2.201 2.415 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
247 1 7 VAL HA 1 7 VAL MG2 2.100 . 2.600 2.409 2.337 2.526 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
248 2 7 VAL HA 2 7 VAL MG2 2.100 . 2.600 2.409 2.338 2.526 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
249 1 7 VAL H 1 7 VAL HB 2.500 . 3.000 2.650 2.592 2.736 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
250 2 7 VAL H 2 7 VAL HB 2.500 . 3.000 2.650 2.591 2.735 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
251 1 7 VAL HA 1 8 TYR HA 4.500 . 5.000 4.383 4.372 4.392 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
252 2 7 VAL HA 2 8 TYR HA 4.500 . 5.000 4.383 4.373 4.392 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
253 1 7 VAL HA 1 8 TYR QB 4.500 . 5.000 4.396 4.341 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
254 2 7 VAL HA 2 8 TYR QB 4.500 . 5.000 4.395 4.341 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
255 1 7 VAL HA 1 8 TYR QD 3.000 . 3.500 3.461 2.946 3.552 0.052 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
256 2 7 VAL HA 2 8 TYR QD 3.000 . 3.500 3.461 2.948 3.553 0.053 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
257 1 7 VAL HA 1 8 TYR QE 4.500 . 5.000 4.670 4.427 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
258 2 7 VAL HA 2 8 TYR QE 4.500 . 5.000 4.670 4.427 4.821 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
259 1 7 VAL HA 1 8 TYR H 2.100 . 2.600 2.128 2.111 2.145 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
260 2 7 VAL HA 2 8 TYR H 2.100 . 2.600 2.127 2.109 2.145 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
261 1 7 VAL HB 1 8 TYR H 4.500 . 5.000 4.090 4.007 4.183 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
262 2 7 VAL HB 2 8 TYR H 4.500 . 5.000 4.090 4.006 4.182 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
263 1 7 VAL MG1 1 8 TYR HA 4.500 . 5.000 3.863 3.738 4.012 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
264 2 7 VAL MG1 2 8 TYR HA 4.500 . 5.000 3.863 3.740 4.013 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
265 1 7 VAL MG1 1 8 TYR QD 4.500 . 5.000 4.483 4.175 4.613 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
266 2 7 VAL MG1 2 8 TYR QD 4.500 . 5.000 4.483 4.176 4.612 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
267 1 7 VAL MG1 1 8 TYR H 2.100 . 2.600 2.507 2.233 2.618 0.018 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
268 2 7 VAL MG1 2 8 TYR H 2.100 . 2.600 2.507 2.232 2.618 0.018 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
269 1 7 VAL HB 1 9 TYR QD 4.500 . 5.000 4.330 4.011 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
270 2 7 VAL HB 2 9 TYR QD 4.500 . 5.000 4.330 4.014 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
271 1 7 VAL MG1 1 9 TYR HA 4.500 . 5.000 4.476 4.335 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
272 2 7 VAL MG1 2 9 TYR HA 4.500 . 5.000 4.476 4.334 4.640 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
273 1 7 VAL MG1 1 9 TYR QB 3.000 . 3.500 3.473 3.269 3.532 0.032 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
274 2 7 VAL MG1 2 9 TYR QB 3.000 . 3.500 3.473 3.268 3.531 0.031 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
275 1 7 VAL MG1 1 9 TYR QD 3.000 . 3.500 3.388 3.014 3.537 0.037 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
276 2 7 VAL MG1 2 9 TYR QD 3.000 . 3.500 3.388 3.014 3.537 0.037 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
277 1 7 VAL MG1 1 9 TYR QE 6.000 . 6.500 4.903 4.621 5.120 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
278 2 7 VAL MG1 2 9 TYR QE 6.000 . 6.500 4.903 4.622 5.120 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
279 1 7 VAL MG1 1 9 TYR H 4.500 . 5.000 4.598 4.401 4.814 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
280 2 7 VAL MG1 2 9 TYR H 4.500 . 5.000 4.598 4.401 4.814 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
281 1 7 VAL MG2 1 9 TYR QD 6.000 . 6.500 5.505 5.249 5.667 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
282 2 7 VAL MG2 2 9 TYR QD 6.000 . 6.500 5.504 5.250 5.668 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
283 1 7 VAL HB 1 21 ALA MB 3.000 . 3.500 2.819 2.565 3.163 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
284 2 7 VAL HB 2 21 ALA MB 3.000 . 3.500 2.819 2.563 3.164 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
285 1 7 VAL HB 1 21 ALA H 3.500 . 4.000 3.684 3.473 3.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
286 2 7 VAL HB 2 21 ALA H 3.500 . 4.000 3.684 3.472 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
287 1 7 VAL MG1 1 21 ALA H 4.500 . 5.000 4.437 4.259 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
288 2 7 VAL MG1 2 21 ALA H 4.500 . 5.000 4.437 4.259 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
289 1 7 VAL MG2 1 21 ALA H 4.500 . 5.000 4.821 4.647 4.964 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
290 2 7 VAL MG2 2 21 ALA H 4.500 . 5.000 4.821 4.645 4.965 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
291 1 7 VAL H 1 21 ALA HA 4.500 . 5.000 4.709 4.380 4.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
292 2 7 VAL H 2 21 ALA HA 4.500 . 5.000 4.709 4.380 4.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
293 1 7 VAL H 1 21 ALA MB 3.500 . 4.000 3.883 3.680 4.024 0.024 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
294 2 7 VAL H 2 21 ALA MB 3.500 . 4.000 3.883 3.680 4.023 0.023 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
295 1 7 VAL H 1 21 ALA H 3.000 . 3.500 3.476 3.166 3.537 0.037 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
296 2 7 VAL H 2 21 ALA H 3.000 . 3.500 3.476 3.165 3.535 0.035 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
297 1 7 VAL MG2 1 22 LYS HA 4.500 . 5.000 4.112 3.703 4.408 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
298 2 7 VAL MG2 2 22 LYS HA 4.500 . 5.000 4.112 3.704 4.409 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
299 1 7 VAL MG2 1 23 LEU MD1 3.500 . 4.000 1.912 1.703 2.196 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
300 2 7 VAL MG2 2 23 LEU MD1 3.500 . 4.000 1.912 1.702 2.197 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
301 1 7 VAL MG2 1 23 LEU H 4.500 . 5.000 3.376 3.023 3.676 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
302 2 7 VAL MG2 2 23 LEU H 4.500 . 5.000 3.376 3.024 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
303 1 7 VAL HA 1 33 ILE MG 4.500 . 5.000 4.475 4.257 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
304 2 7 VAL HA 2 33 ILE MG 4.500 . 5.000 4.475 4.257 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
305 1 7 VAL HB 1 33 ILE MD 4.500 . 5.000 3.845 3.568 4.075 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
306 2 7 VAL HB 2 33 ILE MD 4.500 . 5.000 3.844 3.566 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
307 1 7 VAL HB 1 33 ILE MG 2.100 . 2.600 1.975 1.901 2.192 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
308 2 7 VAL HB 2 33 ILE MG 2.100 . 2.600 1.975 1.902 2.195 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
309 1 7 VAL MG1 1 33 ILE MD 4.500 . 5.000 3.599 3.306 3.909 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
310 2 7 VAL MG1 2 33 ILE MD 4.500 . 5.000 3.599 3.305 3.908 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
311 1 7 VAL MG2 1 33 ILE HA 4.500 . 5.000 4.735 4.317 5.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
312 2 7 VAL MG2 2 33 ILE HA 4.500 . 5.000 4.735 4.317 4.999 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
313 1 7 VAL MG2 1 33 ILE MD 4.500 . 5.000 4.753 4.472 5.010 0.010 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
314 2 7 VAL MG2 2 33 ILE MD 4.500 . 5.000 4.753 4.471 5.011 0.011 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
315 1 7 VAL H 1 33 ILE MG 3.500 . 4.000 3.900 3.629 4.020 0.020 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
316 2 7 VAL H 2 33 ILE MG 3.500 . 4.000 3.900 3.631 4.020 0.020 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
317 1 7 VAL HA 1 47 ALA MB 4.500 . 5.000 4.977 4.786 5.042 0.042 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
318 2 7 VAL HA 2 47 ALA MB 4.500 . 5.000 4.977 4.784 5.043 0.043 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
319 1 7 VAL MG1 1 47 ALA HA 4.500 . 5.000 4.000 3.818 4.195 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
320 2 7 VAL MG1 2 47 ALA HA 4.500 . 5.000 4.000 3.816 4.196 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
321 1 7 VAL MG1 1 47 ALA MB 2.100 . 2.600 2.543 2.372 2.637 0.037 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
322 2 7 VAL MG1 2 47 ALA MB 2.100 . 2.600 2.543 2.372 2.637 0.037 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
323 1 7 VAL HA 1 48 LYS H 4.500 . 5.000 4.154 4.044 4.251 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
324 2 7 VAL HA 2 48 LYS H 4.500 . 5.000 4.154 4.042 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
325 1 7 VAL MG1 1 48 LYS H 3.000 . 3.500 2.692 2.500 2.857 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
326 2 7 VAL MG1 2 48 LYS H 3.000 . 3.500 2.692 2.503 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
327 1 7 VAL MG2 1 48 LYS H 4.500 . 5.000 5.004 4.855 5.042 0.042 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
328 2 7 VAL MG2 2 48 LYS H 4.500 . 5.000 5.004 4.855 5.042 0.042 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
329 1 7 VAL HA 1 49 ILE HA 2.100 . 2.600 2.478 1.995 2.645 0.045 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
330 2 7 VAL HA 2 49 ILE HA 2.100 . 2.600 2.479 1.993 2.646 0.046 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
331 1 7 VAL MG1 1 49 ILE HA 3.000 . 3.500 2.954 2.480 3.388 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
332 2 7 VAL MG1 2 49 ILE HA 3.000 . 3.500 2.953 2.479 3.388 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
333 1 7 VAL HA 1 50 ILE MD 4.500 . 5.000 4.770 4.360 5.008 0.008 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
334 2 7 VAL HA 2 50 ILE MD 4.500 . 5.000 4.770 4.359 5.011 0.011 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
335 1 7 VAL HA 1 50 ILE QG 3.960 . 4.460 3.770 3.342 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
336 2 7 VAL HA 2 50 ILE QG 3.960 . 4.460 3.770 3.341 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
337 1 7 VAL HA 1 50 ILE H 3.000 . 3.500 3.249 2.906 3.509 0.009 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
338 2 7 VAL HA 2 50 ILE H 3.000 . 3.500 3.249 2.906 3.508 0.008 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
339 1 7 VAL MG2 1 50 ILE H 4.500 . 5.000 3.194 2.779 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
340 2 7 VAL MG2 2 50 ILE H 4.500 . 5.000 3.194 2.779 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
341 1 8 TYR HA 1 8 TYR QB 1.820 . 2.320 2.349 2.332 2.390 0.070 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
342 2 8 TYR HA 2 8 TYR QB 1.820 . 2.320 2.349 2.331 2.390 0.070 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
343 1 8 TYR HA 1 8 TYR QD 3.000 . 3.500 2.972 2.898 3.184 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
344 2 8 TYR HA 2 8 TYR QD 3.000 . 3.500 2.972 2.899 3.185 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
345 1 8 TYR HA 1 8 TYR QE 6.000 . 6.500 4.688 4.648 4.744 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
346 2 8 TYR HA 2 8 TYR QE 6.000 . 6.500 4.688 4.647 4.745 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
347 1 8 TYR H 1 8 TYR HA 3.000 . 3.500 2.943 2.937 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
348 2 8 TYR H 2 8 TYR HA 3.000 . 3.500 2.942 2.937 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
349 1 8 TYR QB 1 8 TYR QD 1.820 . 2.320 2.137 2.134 2.141 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
350 2 8 TYR QB 2 8 TYR QD 1.820 . 2.320 2.137 2.134 2.142 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
351 1 8 TYR QB 1 8 TYR QE 3.960 . 4.460 3.936 3.932 3.942 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
352 2 8 TYR QB 2 8 TYR QE 3.960 . 4.460 3.936 3.933 3.943 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
353 1 8 TYR H 1 8 TYR QB 2.620 . 3.120 2.530 2.462 2.583 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
354 2 8 TYR H 2 8 TYR QB 2.620 . 3.120 2.530 2.460 2.582 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
355 1 8 TYR H 1 8 TYR QD 2.100 . 2.600 2.517 2.156 2.618 0.018 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
356 2 8 TYR H 2 8 TYR QD 2.100 . 2.600 2.517 2.157 2.618 0.018 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
357 1 8 TYR H 1 8 TYR QE 4.500 . 5.000 4.535 4.428 4.660 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
358 2 8 TYR H 2 8 TYR QE 4.500 . 5.000 4.535 4.429 4.660 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
359 1 8 TYR HA 1 9 TYR HA 4.500 . 5.000 4.430 4.410 4.457 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
360 2 8 TYR HA 2 9 TYR HA 4.500 . 5.000 4.430 4.410 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
361 1 8 TYR HA 1 9 TYR QB 4.500 . 5.000 4.370 4.320 4.465 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
362 2 8 TYR HA 2 9 TYR QB 4.500 . 5.000 4.370 4.320 4.463 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
363 1 8 TYR HA 1 9 TYR QD 3.000 . 3.500 2.741 2.616 2.984 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
364 2 8 TYR HA 2 9 TYR QD 3.000 . 3.500 2.741 2.615 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
365 1 8 TYR HA 1 9 TYR QE 4.500 . 5.000 4.008 3.899 4.158 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
366 2 8 TYR HA 2 9 TYR QE 4.500 . 5.000 4.008 3.900 4.158 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
367 1 8 TYR HA 1 9 TYR H 2.100 . 2.600 2.253 2.195 2.317 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
368 2 8 TYR HA 2 9 TYR H 2.100 . 2.600 2.252 2.195 2.318 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
369 1 8 TYR QB 1 9 TYR H 2.620 . 3.120 2.901 2.712 3.049 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
370 2 8 TYR QB 2 9 TYR H 2.620 . 3.120 2.900 2.713 3.049 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
371 1 8 TYR QD 1 9 TYR H 4.500 . 5.000 4.136 4.041 4.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
372 2 8 TYR QD 2 9 TYR H 4.500 . 5.000 4.135 4.041 4.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
373 1 8 TYR QE 1 9 TYR H 6.000 . 6.500 6.214 6.091 6.312 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
374 2 8 TYR QE 2 9 TYR H 6.000 . 6.500 6.214 6.092 6.313 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
375 1 8 TYR H 1 9 TYR QD 4.500 . 5.000 4.476 4.354 4.573 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
376 2 8 TYR H 2 9 TYR QD 4.500 . 5.000 4.476 4.356 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
377 1 8 TYR H 1 9 TYR H 4.500 . 5.000 4.496 4.446 4.543 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
378 2 8 TYR H 2 9 TYR H 4.500 . 5.000 4.496 4.446 4.541 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
379 1 8 TYR HA 1 17 TRP QB 4.500 . 5.000 4.162 3.934 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
380 2 8 TYR HA 2 17 TRP QB 4.500 . 5.000 4.162 3.935 4.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
381 1 8 TYR HA 1 17 TRP HE3 4.500 . 5.000 4.219 3.950 4.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
382 2 8 TYR HA 2 17 TRP HE3 4.500 . 5.000 4.219 3.951 4.469 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
383 1 8 TYR QB 1 17 TRP QB 4.500 . 5.000 2.210 1.965 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
384 2 8 TYR QB 2 17 TRP QB 4.500 . 5.000 2.210 1.965 2.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
385 1 8 TYR QB 1 17 TRP HE3 2.620 . 3.120 2.728 2.536 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
386 2 8 TYR QB 2 17 TRP HE3 2.620 . 3.120 2.729 2.537 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
387 1 8 TYR QD 1 17 TRP HA 6.000 . 6.500 5.701 5.248 6.106 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
388 2 8 TYR QD 2 17 TRP HA 6.000 . 6.500 5.701 5.248 6.107 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
389 1 8 TYR QD 1 17 TRP HE3 6.000 . 6.500 4.822 4.655 5.054 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
390 2 8 TYR QD 2 17 TRP HE3 6.000 . 6.500 4.822 4.654 5.053 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
391 1 8 TYR HA 1 18 LYS QB 6.000 . 6.500 4.072 3.914 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
392 2 8 TYR HA 2 18 LYS QB 6.000 . 6.500 4.072 3.915 4.183 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
393 1 8 TYR HA 1 18 LYS H 4.500 . 5.000 4.320 3.982 4.613 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
394 2 8 TYR HA 2 18 LYS H 4.500 . 5.000 4.320 3.983 4.611 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
395 1 8 TYR QB 1 18 LYS H 3.960 . 4.460 3.708 3.333 3.924 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
396 2 8 TYR QB 2 18 LYS H 3.960 . 4.460 3.708 3.334 3.922 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
397 1 8 TYR QD 1 18 LYS HA 4.500 . 5.000 4.990 4.815 5.052 0.052 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
398 2 8 TYR QD 2 18 LYS HA 4.500 . 5.000 4.990 4.814 5.053 0.053 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
399 1 8 TYR QD 1 18 LYS H 4.500 . 5.000 4.671 4.068 4.889 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
400 2 8 TYR QD 2 18 LYS H 4.500 . 5.000 4.671 4.068 4.886 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
401 1 8 TYR HA 1 19 GLY QA 5.300 . 5.800 4.618 4.457 4.734 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
402 2 8 TYR HA 2 19 GLY QA 5.300 . 5.800 4.618 4.457 4.734 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
403 1 8 TYR HA 1 19 GLY H 6.000 . 6.500 5.428 5.262 5.559 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
404 2 8 TYR HA 2 19 GLY H 6.000 . 6.500 5.428 5.262 5.559 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
405 1 8 TYR QD 1 19 GLY QA 3.960 . 4.460 3.201 2.946 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
406 2 8 TYR QD 2 19 GLY QA 3.960 . 4.460 3.201 2.946 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
407 1 8 TYR QD 1 19 GLY H 4.500 . 5.000 4.713 4.532 4.963 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
408 2 8 TYR QD 2 19 GLY H 4.500 . 5.000 4.713 4.533 4.961 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
409 1 8 TYR QE 1 19 GLY QA 3.960 . 4.460 3.319 3.052 3.511 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
410 2 8 TYR QE 2 19 GLY QA 3.960 . 4.460 3.319 3.054 3.510 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
411 1 8 TYR QE 1 19 GLY H 6.000 . 6.500 5.760 5.429 5.922 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
412 2 8 TYR QE 2 19 GLY H 6.000 . 6.500 5.760 5.428 5.922 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
413 1 8 TYR QD 1 20 PRO QB 4.500 . 5.000 3.790 3.638 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
414 2 8 TYR QD 2 20 PRO QB 4.500 . 5.000 3.790 3.638 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
415 1 8 TYR QD 1 20 PRO QD 4.500 . 5.000 3.618 3.402 3.994 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
416 2 8 TYR QD 2 20 PRO QD 4.500 . 5.000 3.618 3.400 3.994 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
417 1 8 TYR QE 1 20 PRO QB 3.960 . 4.460 2.664 2.431 2.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
418 2 8 TYR QE 2 20 PRO QB 3.960 . 4.460 2.664 2.432 2.819 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
419 1 8 TYR QE 1 20 PRO QD 2.100 . 2.600 2.294 2.017 2.624 0.024 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
420 2 8 TYR QE 2 20 PRO QD 2.100 . 2.600 2.294 2.018 2.624 0.024 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
421 1 8 TYR QE 1 20 PRO QG 3.960 . 4.460 3.277 3.033 3.723 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
422 2 8 TYR QE 2 20 PRO QG 3.960 . 4.460 3.277 3.035 3.723 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
423 1 8 TYR HA 1 21 ALA H 4.500 . 5.000 3.473 3.306 3.637 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
424 2 8 TYR HA 2 21 ALA H 4.500 . 5.000 3.473 3.306 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
425 1 8 TYR QD 1 21 ALA H 4.500 . 5.000 4.843 4.732 5.012 0.012 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
426 2 8 TYR QD 2 21 ALA H 4.500 . 5.000 4.843 4.733 5.013 0.013 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
427 1 8 TYR QE 1 21 ALA H 6.000 . 6.500 5.497 5.424 5.578 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
428 2 8 TYR QE 2 21 ALA H 6.000 . 6.500 5.497 5.425 5.577 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
429 1 8 TYR HA 1 33 ILE MD 4.500 . 5.000 4.836 4.708 5.014 0.014 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
430 2 8 TYR HA 2 33 ILE MD 4.500 . 5.000 4.836 4.711 5.013 0.013 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
431 1 8 TYR H 1 47 ALA HA 4.500 . 5.000 4.805 4.627 4.987 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
432 2 8 TYR H 2 47 ALA HA 4.500 . 5.000 4.805 4.628 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
433 1 8 TYR H 1 47 ALA MB 4.500 . 5.000 4.345 4.150 4.508 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
434 2 8 TYR H 2 47 ALA MB 4.500 . 5.000 4.345 4.150 4.508 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
435 1 8 TYR HA 1 48 LYS QB 4.500 . 5.000 4.817 4.574 5.042 0.042 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
436 2 8 TYR HA 2 48 LYS QB 4.500 . 5.000 4.817 4.571 5.042 0.042 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
437 1 8 TYR QB 1 48 LYS QB 3.000 . 3.500 2.330 2.032 2.608 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
438 2 8 TYR QB 2 48 LYS QB 3.000 . 3.500 2.330 2.033 2.608 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
439 1 8 TYR QB 1 48 LYS H 4.500 . 5.000 3.548 3.358 3.773 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
440 2 8 TYR QB 2 48 LYS H 4.500 . 5.000 3.548 3.358 3.772 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
441 1 8 TYR QD 1 48 LYS QB 4.500 . 5.000 2.998 2.660 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
442 2 8 TYR QD 2 48 LYS QB 4.500 . 5.000 2.998 2.661 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
443 1 8 TYR QD 1 48 LYS QE 4.500 . 5.000 4.426 3.603 5.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
444 2 8 TYR QD 2 48 LYS QE 4.500 . 5.000 4.426 3.600 4.999 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
445 1 8 TYR QD 1 48 LYS H 4.500 . 5.000 4.627 4.471 4.846 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
446 2 8 TYR QD 2 48 LYS H 4.500 . 5.000 4.627 4.470 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
447 1 8 TYR H 1 48 LYS QB 3.960 . 4.460 2.966 2.587 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
448 2 8 TYR H 2 48 LYS QB 3.960 . 4.460 2.966 2.587 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
449 1 8 TYR H 1 48 LYS QG 4.500 . 5.000 4.622 3.904 5.006 0.006 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
450 2 8 TYR H 2 48 LYS QG 4.500 . 5.000 4.623 3.903 5.006 0.006 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
451 1 8 TYR H 1 48 LYS H 3.000 . 3.500 2.793 2.651 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
452 2 8 TYR H 2 48 LYS H 3.000 . 3.500 2.793 2.653 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
453 1 8 TYR H 1 49 ILE HA 3.500 . 4.000 3.816 3.390 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
454 2 8 TYR H 2 49 ILE HA 3.500 . 4.000 3.816 3.388 3.989 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
455 1 8 TYR QD 1 50 ILE HB 4.500 . 5.000 4.044 3.849 4.240 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
456 2 8 TYR QD 2 50 ILE HB 4.500 . 5.000 4.044 3.851 4.239 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
457 1 8 TYR QD 1 50 ILE MD 2.100 . 2.600 2.255 2.024 2.487 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
458 2 8 TYR QD 2 50 ILE MD 2.100 . 2.600 2.255 2.026 2.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
459 1 8 TYR QD 1 50 ILE QG 2.100 . 2.600 2.634 2.569 2.657 0.057 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
460 2 8 TYR QD 2 50 ILE QG 2.100 . 2.600 2.634 2.570 2.657 0.057 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
461 1 8 TYR QD 1 50 ILE MG 4.500 . 5.000 4.745 4.631 4.911 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
462 2 8 TYR QD 2 50 ILE MG 4.500 . 5.000 4.745 4.632 4.910 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
463 1 8 TYR QE 1 50 ILE HA 6.000 . 6.500 5.399 5.210 5.636 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
464 2 8 TYR QE 2 50 ILE HA 6.000 . 6.500 5.399 5.211 5.636 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
465 1 8 TYR QE 1 50 ILE HB 3.000 . 3.500 2.742 2.501 3.007 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
466 2 8 TYR QE 2 50 ILE HB 3.000 . 3.500 2.743 2.501 3.008 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
467 1 8 TYR QE 1 50 ILE MD 2.100 . 2.600 1.901 1.867 1.959 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
468 2 8 TYR QE 2 50 ILE MD 2.100 . 2.600 1.901 1.866 1.959 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
469 1 8 TYR QE 1 50 ILE QG 2.620 . 3.120 2.932 2.714 3.135 0.015 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
470 2 8 TYR QE 2 50 ILE QG 2.620 . 3.120 2.932 2.715 3.136 0.016 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
471 1 8 TYR QE 1 50 ILE MG 3.000 . 3.500 3.422 3.297 3.564 0.064 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
472 2 8 TYR QE 2 50 ILE MG 3.000 . 3.500 3.421 3.296 3.566 0.066 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
473 1 8 TYR H 1 50 ILE MD 4.500 . 5.000 4.399 4.014 4.724 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
474 2 8 TYR H 2 50 ILE MD 4.500 . 5.000 4.399 4.015 4.725 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
475 1 8 TYR H 1 50 ILE QG 4.500 . 5.000 3.977 3.641 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
476 2 8 TYR H 2 50 ILE QG 4.500 . 5.000 3.977 3.642 4.244 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
477 1 9 TYR HA 1 9 TYR QB 2.100 . 2.600 2.176 2.166 2.181 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
478 2 9 TYR HA 2 9 TYR QB 2.100 . 2.600 2.176 2.165 2.182 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
479 1 9 TYR HA 1 9 TYR QE 6.000 . 6.500 5.616 5.599 5.630 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
480 2 9 TYR HA 2 9 TYR QE 6.000 . 6.500 5.616 5.599 5.630 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
481 1 9 TYR H 1 9 TYR HA 3.000 . 3.500 2.943 2.926 2.957 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
482 2 9 TYR H 2 9 TYR HA 3.000 . 3.500 2.943 2.925 2.957 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
483 1 9 TYR QB 1 9 TYR QD 1.820 . 2.320 2.140 2.136 2.143 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
484 2 9 TYR QB 2 9 TYR QD 1.820 . 2.320 2.140 2.136 2.144 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
485 1 9 TYR H 1 9 TYR QB 3.000 . 3.500 3.170 3.120 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
486 2 9 TYR H 2 9 TYR QB 3.000 . 3.500 3.170 3.120 3.216 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
487 1 9 TYR H 1 9 TYR QE 4.500 . 5.000 3.867 3.799 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
488 2 9 TYR H 2 9 TYR QE 4.500 . 5.000 3.867 3.799 3.963 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
489 1 9 TYR HA 1 10 ARG HA 4.500 . 5.000 4.351 4.326 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
490 2 9 TYR HA 2 10 ARG HA 4.500 . 5.000 4.351 4.326 4.371 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
491 1 9 TYR HA 1 10 ARG QB 4.500 . 5.000 4.346 3.996 4.530 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
492 2 9 TYR HA 2 10 ARG QB 4.500 . 5.000 4.346 3.997 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
493 1 9 TYR HA 1 10 ARG QG 4.500 . 5.000 3.962 3.562 4.767 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
494 2 9 TYR HA 2 10 ARG QG 4.500 . 5.000 3.962 3.562 4.770 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
495 1 9 TYR HA 1 10 ARG H 2.100 . 2.600 2.185 2.153 2.239 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
496 2 9 TYR HA 2 10 ARG H 2.100 . 2.600 2.186 2.154 2.241 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
497 1 9 TYR QB 1 10 ARG H 2.620 . 3.120 2.927 2.761 3.026 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
498 2 9 TYR QB 2 10 ARG H 2.620 . 3.120 2.927 2.761 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
499 1 9 TYR QD 1 10 ARG HA 4.500 . 5.000 4.923 4.666 5.029 0.029 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
500 2 9 TYR QD 2 10 ARG HA 4.500 . 5.000 4.923 4.665 5.029 0.029 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
501 1 9 TYR QD 1 10 ARG H 4.500 . 5.000 4.389 4.239 4.503 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
502 2 9 TYR QD 2 10 ARG H 4.500 . 5.000 4.388 4.238 4.504 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
503 1 9 TYR H 1 10 ARG H 4.500 . 5.000 4.372 4.293 4.438 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
504 2 9 TYR H 2 10 ARG H 4.500 . 5.000 4.371 4.292 4.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
505 1 9 TYR HA 1 17 TRP HA 6.000 . 6.500 4.839 4.620 5.064 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
506 2 9 TYR HA 2 17 TRP HA 6.000 . 6.500 4.839 4.622 5.064 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
507 1 9 TYR HA 1 17 TRP HE3 2.100 . 2.600 2.504 2.328 2.618 0.018 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
508 2 9 TYR HA 2 17 TRP HE3 2.100 . 2.600 2.504 2.328 2.620 0.020 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
509 1 9 TYR HA 1 17 TRP HH2 6.000 . 6.500 4.876 4.711 4.972 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
510 2 9 TYR HA 2 17 TRP HH2 6.000 . 6.500 4.875 4.711 4.973 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
511 1 9 TYR HA 1 17 TRP HZ3 2.100 . 2.600 2.558 2.364 2.677 0.077 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
512 2 9 TYR HA 2 17 TRP HZ3 2.100 . 2.600 2.557 2.364 2.675 0.075 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
513 1 9 TYR QB 1 17 TRP HE3 4.500 . 5.000 4.209 4.078 4.323 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
514 2 9 TYR QB 2 17 TRP HE3 4.500 . 5.000 4.208 4.078 4.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
515 1 9 TYR QB 1 17 TRP HZ3 4.500 . 5.000 4.225 4.085 4.314 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
516 2 9 TYR QB 2 17 TRP HZ3 4.500 . 5.000 4.225 4.085 4.313 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
517 1 9 TYR QD 1 17 TRP HE3 6.000 . 6.500 4.875 4.757 4.991 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
518 2 9 TYR QD 2 17 TRP HE3 6.000 . 6.500 4.875 4.759 4.992 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
519 1 9 TYR QD 1 17 TRP HZ3 6.000 . 6.500 5.681 5.540 5.765 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
520 2 9 TYR QD 2 17 TRP HZ3 6.000 . 6.500 5.681 5.541 5.764 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
521 1 9 TYR H 1 17 TRP HA 4.500 . 5.000 4.352 4.092 4.550 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
522 2 9 TYR H 2 17 TRP HA 4.500 . 5.000 4.352 4.091 4.549 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
523 1 9 TYR H 1 17 TRP HE3 3.000 . 3.500 3.149 3.019 3.257 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
524 2 9 TYR H 2 17 TRP HE3 3.000 . 3.500 3.149 3.020 3.255 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
525 1 9 TYR H 1 17 TRP HZ3 4.500 . 5.000 4.845 4.674 4.980 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
526 2 9 TYR H 2 17 TRP HZ3 4.500 . 5.000 4.845 4.674 4.979 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
527 1 9 TYR HA 1 18 LYS H 4.500 . 5.000 4.143 4.024 4.265 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
528 2 9 TYR HA 2 18 LYS H 4.500 . 5.000 4.143 4.025 4.268 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
529 1 9 TYR QD 1 18 LYS HA 6.000 . 6.500 5.409 5.273 5.516 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
530 2 9 TYR QD 2 18 LYS HA 6.000 . 6.500 5.409 5.274 5.516 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
531 1 9 TYR QD 1 18 LYS QB 3.960 . 4.460 2.930 2.785 3.043 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
532 2 9 TYR QD 2 18 LYS QB 3.960 . 4.460 2.930 2.785 3.043 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
533 1 9 TYR QD 1 18 LYS QD 4.500 . 5.000 4.642 3.649 5.080 0.080 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
534 2 9 TYR QD 2 18 LYS QD 4.500 . 5.000 4.642 3.648 5.080 0.080 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
535 1 9 TYR QD 1 18 LYS H 4.500 . 5.000 4.235 4.067 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
536 2 9 TYR QD 2 18 LYS H 4.500 . 5.000 4.235 4.068 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
537 1 9 TYR QE 1 18 LYS HA 6.000 . 6.500 5.076 4.922 5.294 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
538 2 9 TYR QE 2 18 LYS HA 6.000 . 6.500 5.076 4.923 5.294 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
539 1 9 TYR QE 1 18 LYS QB 4.500 . 5.000 2.746 2.579 2.977 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
540 2 9 TYR QE 2 18 LYS QB 4.500 . 5.000 2.746 2.580 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
541 1 9 TYR QE 1 18 LYS QD 3.500 . 4.000 3.610 2.503 4.061 0.061 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
542 2 9 TYR QE 2 18 LYS QD 3.500 . 4.000 3.610 2.503 4.062 0.062 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
543 1 9 TYR QE 1 18 LYS QG 6.000 . 6.500 2.642 2.165 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
544 2 9 TYR QE 2 18 LYS QG 6.000 . 6.500 2.642 2.165 3.011 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
545 1 9 TYR QE 1 18 LYS H 6.000 . 6.500 5.004 4.840 5.182 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
546 2 9 TYR QE 2 18 LYS H 6.000 . 6.500 5.004 4.838 5.182 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
547 1 9 TYR H 1 18 LYS HA 4.500 . 5.000 4.499 4.330 4.573 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
548 2 9 TYR H 2 18 LYS HA 4.500 . 5.000 4.499 4.331 4.572 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
549 1 9 TYR H 1 18 LYS QB 3.960 . 4.460 2.684 2.493 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
550 2 9 TYR H 2 18 LYS QB 3.960 . 4.460 2.684 2.493 2.876 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
551 1 9 TYR H 1 18 LYS QG 4.500 . 5.000 4.551 4.340 4.805 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
552 2 9 TYR H 2 18 LYS QG 4.500 . 5.000 4.551 4.340 4.805 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
553 1 9 TYR H 1 18 LYS H 3.000 . 3.500 2.528 2.282 2.772 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
554 2 9 TYR H 2 18 LYS H 3.000 . 3.500 2.528 2.283 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
555 1 9 TYR QD 1 19 GLY QA 5.300 . 5.800 5.539 5.477 5.601 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
556 2 9 TYR QD 2 19 GLY QA 5.300 . 5.800 5.539 5.478 5.600 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
557 1 9 TYR QD 1 19 GLY H 6.000 . 6.500 5.632 5.529 5.704 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
558 2 9 TYR QD 2 19 GLY H 6.000 . 6.500 5.632 5.530 5.705 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
559 1 9 TYR QE 1 19 GLY QA 3.960 . 4.460 4.488 4.387 4.535 0.075 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
560 2 9 TYR QE 2 19 GLY QA 3.960 . 4.460 4.488 4.387 4.535 0.075 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
561 1 9 TYR QE 1 19 GLY H 4.500 . 5.000 4.622 4.472 4.780 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
562 2 9 TYR QE 2 19 GLY H 4.500 . 5.000 4.622 4.474 4.781 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
563 1 9 TYR H 1 19 GLY QA 6.000 . 6.500 5.228 5.147 5.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
564 2 9 TYR H 2 19 GLY QA 6.000 . 6.500 5.228 5.148 5.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
565 1 9 TYR H 1 19 GLY H 6.000 . 6.500 5.126 5.043 5.203 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
566 2 9 TYR H 2 19 GLY H 6.000 . 6.500 5.126 5.045 5.204 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
567 1 9 TYR QD 1 21 ALA H 4.500 . 5.000 3.648 3.526 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
568 2 9 TYR QD 2 21 ALA H 4.500 . 5.000 3.648 3.526 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
569 1 9 TYR QE 1 21 ALA MB 2.100 . 2.600 1.977 1.928 2.069 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
570 2 9 TYR QE 2 21 ALA MB 2.100 . 2.600 1.977 1.927 2.070 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
571 1 9 TYR QE 1 21 ALA H 4.500 . 5.000 2.937 2.732 3.081 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
572 2 9 TYR QE 2 21 ALA H 4.500 . 5.000 2.937 2.731 3.083 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
573 1 9 TYR H 1 21 ALA MB 4.500 . 5.000 5.023 4.985 5.042 0.042 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
574 2 9 TYR H 2 21 ALA MB 4.500 . 5.000 5.023 4.986 5.043 0.043 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
575 1 9 TYR HA 1 33 ILE MD 6.000 . 6.500 5.500 5.132 5.699 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
576 2 9 TYR HA 2 33 ILE MD 6.000 . 6.500 5.500 5.131 5.698 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
577 1 9 TYR QB 1 33 ILE MD 3.960 . 4.460 3.479 2.997 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
578 2 9 TYR QB 2 33 ILE MD 3.960 . 4.460 3.478 2.995 3.674 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
579 1 9 TYR QD 1 33 ILE MD 2.100 . 2.600 2.626 2.603 2.647 0.047 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
580 2 9 TYR QD 2 33 ILE MD 2.100 . 2.600 2.626 2.605 2.646 0.046 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
581 1 9 TYR QE 1 33 ILE MD 2.100 . 2.600 2.472 2.306 2.647 0.047 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
582 2 9 TYR QE 2 33 ILE MD 2.100 . 2.600 2.472 2.305 2.647 0.047 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
583 1 9 TYR H 1 33 ILE MD 6.000 . 6.500 4.699 4.580 4.847 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
584 2 9 TYR H 2 33 ILE MD 6.000 . 6.500 4.699 4.581 4.847 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
585 1 9 TYR QE 1 35 ASP HA 4.500 . 5.000 4.218 3.844 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
586 2 9 TYR QE 2 35 ASP HA 4.500 . 5.000 4.218 3.844 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
587 1 9 TYR QE 1 35 ASP QB 3.960 . 4.460 3.954 3.726 4.235 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
588 2 9 TYR QE 2 35 ASP QB 3.960 . 4.460 3.954 3.725 4.235 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
589 1 9 TYR QD 1 40 LYS QB 6.000 . 6.500 5.011 4.595 5.456 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
590 2 9 TYR QD 2 40 LYS QB 6.000 . 6.500 5.011 4.595 5.455 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
591 1 9 TYR QE 1 40 LYS QB 4.500 . 5.000 4.340 3.746 4.742 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
592 2 9 TYR QE 2 40 LYS QB 4.500 . 5.000 4.340 3.745 4.741 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
593 1 9 TYR QE 1 40 LYS QD 3.000 . 3.500 3.331 2.679 3.514 0.014 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
594 2 9 TYR QE 2 40 LYS QD 3.000 . 3.500 3.331 2.677 3.514 0.014 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
595 1 9 TYR HA 1 42 VAL MG2 4.500 . 5.000 4.528 4.223 4.759 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
596 2 9 TYR HA 2 42 VAL MG2 4.500 . 5.000 4.528 4.222 4.761 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
597 1 9 TYR QB 1 42 VAL MG1 2.100 . 2.600 1.957 1.900 2.080 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
598 2 9 TYR QB 2 42 VAL MG1 2.100 . 2.600 1.957 1.900 2.080 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
599 1 9 TYR QB 1 42 VAL MG2 4.500 . 5.000 2.280 1.954 2.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
600 2 9 TYR QB 2 42 VAL MG2 4.500 . 5.000 2.280 1.953 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
601 1 9 TYR QD 1 42 VAL MG1 3.000 . 3.500 3.173 3.001 3.311 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
602 2 9 TYR QD 2 42 VAL MG1 3.000 . 3.500 3.173 3.002 3.311 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
603 1 9 TYR QD 1 42 VAL MG2 2.100 . 2.600 2.268 1.968 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
604 2 9 TYR QD 2 42 VAL MG2 2.100 . 2.600 2.268 1.968 2.558 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
605 1 9 TYR QE 1 42 VAL MG1 4.500 . 5.000 5.000 4.836 5.051 0.051 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
606 2 9 TYR QE 2 42 VAL MG1 4.500 . 5.000 5.000 4.838 5.050 0.050 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
607 1 9 TYR QE 1 42 VAL MG2 4.500 . 5.000 3.568 3.398 3.752 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
608 2 9 TYR QE 2 42 VAL MG2 4.500 . 5.000 3.568 3.399 3.753 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
609 1 9 TYR HA 1 47 ALA HA 2.100 . 2.600 2.142 2.036 2.249 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
610 2 9 TYR HA 2 47 ALA HA 2.100 . 2.600 2.142 2.035 2.250 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
611 1 9 TYR HA 1 47 ALA MB 3.000 . 3.500 3.274 3.170 3.382 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
612 2 9 TYR HA 2 47 ALA MB 3.000 . 3.500 3.274 3.169 3.381 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
613 1 9 TYR HA 1 47 ALA H 4.500 . 5.000 4.781 4.615 4.962 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
614 2 9 TYR HA 2 47 ALA H 4.500 . 5.000 4.781 4.614 4.963 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
615 1 9 TYR QB 1 47 ALA HA 2.620 . 3.120 3.098 2.928 3.155 0.035 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
616 2 9 TYR QB 2 47 ALA HA 2.620 . 3.120 3.098 2.930 3.154 0.034 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
617 1 9 TYR QB 1 47 ALA MB 3.960 . 4.460 2.696 2.375 2.827 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
618 2 9 TYR QB 2 47 ALA MB 3.960 . 4.460 2.696 2.374 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
619 1 9 TYR QD 1 47 ALA HA 4.500 . 5.000 4.861 4.769 4.949 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
620 2 9 TYR QD 2 47 ALA HA 4.500 . 5.000 4.862 4.768 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
621 1 9 TYR QD 1 47 ALA MB 4.500 . 5.000 4.293 4.175 4.357 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
622 2 9 TYR QD 2 47 ALA MB 4.500 . 5.000 4.293 4.176 4.356 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
623 1 9 TYR H 1 47 ALA HA 4.500 . 5.000 4.702 4.569 4.846 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
624 2 9 TYR H 2 47 ALA HA 4.500 . 5.000 4.702 4.569 4.847 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
625 1 9 TYR H 1 47 ALA MB 4.500 . 5.000 5.018 4.916 5.060 0.060 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
626 2 9 TYR H 2 47 ALA MB 4.500 . 5.000 5.019 4.915 5.061 0.061 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
627 1 9 TYR HA 1 48 LYS H 4.500 . 5.000 3.635 3.496 3.798 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
628 2 9 TYR HA 2 48 LYS H 4.500 . 5.000 3.635 3.498 3.798 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
629 1 9 TYR QB 1 48 LYS H 3.960 . 4.460 4.144 3.995 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
630 2 9 TYR QB 2 48 LYS H 3.960 . 4.460 4.144 3.995 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
631 1 9 TYR QD 1 48 LYS H 4.500 . 5.000 4.983 4.870 5.047 0.047 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
632 2 9 TYR QD 2 48 LYS H 4.500 . 5.000 4.983 4.869 5.046 0.046 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
633 1 9 TYR H 1 48 LYS H 4.500 . 5.000 4.905 4.793 5.018 0.018 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
634 2 9 TYR H 2 48 LYS H 4.500 . 5.000 4.905 4.793 5.017 0.017 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
635 1 10 ARG HA 1 10 ARG QB 2.620 . 3.120 2.404 2.310 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
636 2 10 ARG HA 2 10 ARG QB 2.620 . 3.120 2.404 2.309 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
637 1 10 ARG HA 1 10 ARG QD 4.500 . 5.000 3.739 3.124 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
638 2 10 ARG HA 2 10 ARG QD 4.500 . 5.000 3.739 3.125 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
639 1 10 ARG HA 1 10 ARG HE 4.500 . 5.000 4.713 4.511 5.034 0.034 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
640 2 10 ARG HA 2 10 ARG HE 4.500 . 5.000 4.713 4.510 5.032 0.032 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
641 1 10 ARG HA 1 10 ARG QG 3.000 . 3.500 2.313 2.080 2.506 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
642 2 10 ARG HA 2 10 ARG QG 3.000 . 3.500 2.313 2.079 2.506 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
643 1 10 ARG QB 1 10 ARG QD 2.830 . 3.330 2.310 2.061 2.434 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
644 2 10 ARG QB 2 10 ARG QD 2.830 . 3.330 2.310 2.061 2.435 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
645 1 10 ARG QB 1 10 ARG HE 3.960 . 4.460 2.131 1.929 2.557 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
646 2 10 ARG QB 2 10 ARG HE 3.960 . 4.460 2.131 1.928 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
647 1 10 ARG H 1 10 ARG QB 3.000 . 3.500 2.357 2.090 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
648 2 10 ARG H 2 10 ARG QB 3.000 . 3.500 2.357 2.092 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
649 1 10 ARG QD 1 10 ARG HE 2.620 . 3.120 2.463 2.225 2.493 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
650 2 10 ARG QD 2 10 ARG HE 2.620 . 3.120 2.463 2.226 2.492 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
651 1 10 ARG HE 1 10 ARG QG 2.620 . 3.120 2.642 2.347 3.185 0.065 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
652 2 10 ARG HE 2 10 ARG QG 2.620 . 3.120 2.642 2.346 3.184 0.064 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
653 1 10 ARG H 1 10 ARG QG 3.960 . 4.460 2.679 2.188 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
654 2 10 ARG H 2 10 ARG QG 3.960 . 4.460 2.679 2.186 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
655 1 10 ARG HA 1 11 ASP QB 3.960 . 4.460 3.990 3.804 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
656 2 10 ARG HA 2 11 ASP QB 3.960 . 4.460 3.991 3.805 4.137 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
657 1 10 ARG HA 1 11 ASP H 2.100 . 2.600 2.473 2.219 2.610 0.010 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
658 2 10 ARG HA 2 11 ASP H 2.100 . 2.600 2.473 2.219 2.609 0.009 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
659 1 10 ARG QB 1 11 ASP H 3.960 . 4.460 2.301 1.985 3.153 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
660 2 10 ARG QB 2 11 ASP H 3.960 . 4.460 2.301 1.986 3.154 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
661 1 10 ARG QG 1 11 ASP H 3.500 . 4.000 3.760 2.741 4.027 0.027 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
662 2 10 ARG QG 2 11 ASP H 3.500 . 4.000 3.760 2.739 4.029 0.029 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
663 1 10 ARG H 1 11 ASP H 4.500 . 5.000 4.558 4.468 4.610 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
664 2 10 ARG H 2 11 ASP H 4.500 . 5.000 4.558 4.468 4.609 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
665 1 10 ARG HA 1 12 SER H 6.000 . 6.500 6.523 6.399 6.599 0.099 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
666 2 10 ARG HA 2 12 SER H 6.000 . 6.500 6.523 6.399 6.598 0.098 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
667 1 10 ARG HA 1 17 TRP HA 3.000 . 3.500 2.313 2.055 2.520 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
668 2 10 ARG HA 2 17 TRP HA 3.000 . 3.500 2.313 2.054 2.523 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
669 1 10 ARG HA 1 17 TRP H 4.500 . 5.000 4.908 4.545 5.062 0.062 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
670 2 10 ARG HA 2 17 TRP H 4.500 . 5.000 4.908 4.545 5.062 0.062 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
671 1 10 ARG QB 1 17 TRP HE3 4.500 . 5.000 4.477 3.782 4.827 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
672 2 10 ARG QB 2 17 TRP HE3 4.500 . 5.000 4.476 3.784 4.827 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
673 1 10 ARG QB 1 17 TRP HZ3 4.500 . 5.000 4.371 3.563 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
674 2 10 ARG QB 2 17 TRP HZ3 4.500 . 5.000 4.371 3.563 4.843 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
675 1 10 ARG QD 1 17 TRP HD1 4.500 . 5.000 3.991 3.178 4.516 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
676 2 10 ARG QD 2 17 TRP HD1 4.500 . 5.000 3.991 3.178 4.515 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
677 1 10 ARG QD 1 17 TRP HE1 3.960 . 4.460 2.966 2.442 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
678 2 10 ARG QD 2 17 TRP HE1 3.960 . 4.460 2.966 2.441 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
679 1 10 ARG QD 1 17 TRP HZ2 3.960 . 4.460 3.133 2.453 4.397 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
680 2 10 ARG QD 2 17 TRP HZ2 3.960 . 4.460 3.133 2.456 4.397 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
681 1 10 ARG HE 1 17 TRP HE1 6.000 . 6.500 5.528 4.370 6.086 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
682 2 10 ARG HE 2 17 TRP HE1 6.000 . 6.500 5.528 4.371 6.084 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
683 1 10 ARG HE 1 17 TRP HH2 4.500 . 5.000 4.637 3.281 5.035 0.035 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
684 2 10 ARG HE 2 17 TRP HH2 4.500 . 5.000 4.637 3.283 5.034 0.034 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
685 1 10 ARG HE 1 17 TRP HZ2 4.500 . 5.000 4.494 3.053 4.992 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
686 2 10 ARG HE 2 17 TRP HZ2 4.500 . 5.000 4.494 3.055 4.994 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
687 1 10 ARG QG 1 17 TRP HA 3.000 . 3.500 2.447 2.041 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
688 2 10 ARG QG 2 17 TRP HA 3.000 . 3.500 2.447 2.041 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
689 1 10 ARG QG 1 17 TRP QB 4.500 . 5.000 3.572 3.208 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
690 2 10 ARG QG 2 17 TRP QB 4.500 . 5.000 3.572 3.209 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
691 1 10 ARG QG 1 17 TRP HE3 3.000 . 3.500 3.080 2.841 3.517 0.017 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
692 2 10 ARG QG 2 17 TRP HE3 3.000 . 3.500 3.080 2.841 3.520 0.020 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
693 1 10 ARG QG 1 17 TRP HH2 4.500 . 5.000 3.419 2.955 4.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
694 2 10 ARG QG 2 17 TRP HH2 4.500 . 5.000 3.419 2.955 4.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
695 1 10 ARG QG 1 17 TRP H 4.500 . 5.000 4.121 3.776 4.733 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
696 2 10 ARG QG 2 17 TRP H 4.500 . 5.000 4.121 3.775 4.733 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
697 1 10 ARG QG 1 17 TRP HZ2 4.500 . 5.000 3.415 3.002 4.487 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
698 2 10 ARG QG 2 17 TRP HZ2 4.500 . 5.000 3.415 3.002 4.487 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
699 1 10 ARG QG 1 17 TRP HZ3 3.960 . 4.460 3.317 2.920 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
700 2 10 ARG QG 2 17 TRP HZ3 3.960 . 4.460 3.316 2.921 4.459 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
701 1 10 ARG H 1 17 TRP HE3 3.000 . 3.500 3.188 2.812 3.510 0.010 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
702 2 10 ARG H 2 17 TRP HE3 3.000 . 3.500 3.188 2.814 3.512 0.012 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
703 1 10 ARG H 1 17 TRP HH2 4.500 . 5.000 4.629 4.384 4.878 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
704 2 10 ARG H 2 17 TRP HH2 4.500 . 5.000 4.629 4.384 4.878 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
705 1 10 ARG H 1 17 TRP HZ3 3.000 . 3.500 3.131 2.738 3.440 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
706 2 10 ARG H 2 17 TRP HZ3 3.000 . 3.500 3.131 2.739 3.441 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
707 1 10 ARG HA 1 18 LYS H 4.500 . 5.000 3.170 2.845 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
708 2 10 ARG HA 2 18 LYS H 4.500 . 5.000 3.170 2.843 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
709 1 10 ARG QG 1 18 LYS H 3.960 . 4.460 4.116 3.704 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
710 2 10 ARG QG 2 18 LYS H 3.960 . 4.460 4.116 3.706 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
711 1 10 ARG H 1 18 LYS H 4.500 . 5.000 4.336 4.141 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
712 2 10 ARG H 2 18 LYS H 4.500 . 5.000 4.336 4.141 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
713 1 10 ARG H 1 42 VAL MG1 4.500 . 5.000 3.394 2.984 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
714 2 10 ARG H 2 42 VAL MG1 4.500 . 5.000 3.394 2.985 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
715 1 10 ARG H 1 42 VAL MG2 6.000 . 6.500 4.894 4.522 5.158 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
716 2 10 ARG H 2 42 VAL MG2 6.000 . 6.500 4.894 4.523 5.158 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
717 1 10 ARG HE 1 46 LYS HA 4.500 . 5.000 3.726 2.761 4.678 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
718 2 10 ARG HE 2 46 LYS HA 4.500 . 5.000 3.726 2.763 4.680 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
719 1 10 ARG H 1 46 LYS HA 4.500 . 5.000 4.219 3.717 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
720 2 10 ARG H 2 46 LYS HA 4.500 . 5.000 4.219 3.719 4.728 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
721 1 10 ARG H 1 47 ALA HA 3.000 . 3.500 3.478 3.332 3.540 0.040 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
722 2 10 ARG H 2 47 ALA HA 3.000 . 3.500 3.479 3.332 3.539 0.039 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
723 1 11 ASP H 1 11 ASP HA 2.500 . 3.000 2.930 2.886 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
724 2 11 ASP H 2 11 ASP HA 2.500 . 3.000 2.930 2.884 2.944 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
725 1 11 ASP HA 1 12 SER H 2.500 . 3.000 2.378 2.285 2.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
726 2 11 ASP HA 2 12 SER H 2.500 . 3.000 2.378 2.285 2.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
727 1 11 ASP QB 1 12 SER H 2.500 . 3.000 2.695 2.439 2.859 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
728 2 11 ASP QB 2 12 SER H 2.500 . 3.000 2.694 2.438 2.859 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
729 1 11 ASP H 1 12 SER H 4.500 . 5.000 4.474 4.358 4.587 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
730 2 11 ASP H 2 12 SER H 4.500 . 5.000 4.473 4.356 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
731 1 11 ASP HA 1 13 ARG H 4.500 . 5.000 5.019 4.875 5.071 0.071 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
732 2 11 ASP HA 2 13 ARG H 4.500 . 5.000 5.019 4.874 5.071 0.071 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
733 1 11 ASP QB 1 13 ARG H 3.500 . 4.000 3.322 3.202 3.433 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
734 2 11 ASP QB 2 13 ARG H 3.500 . 4.000 3.322 3.204 3.432 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
735 1 11 ASP HA 1 14 ASN QB 3.500 . 4.000 4.106 3.863 4.180 0.180 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
736 2 11 ASP HA 2 14 ASN QB 3.500 . 4.000 4.106 3.862 4.180 0.180 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
737 1 11 ASP QB 1 14 ASN H 3.500 . 4.000 2.636 2.318 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
738 2 11 ASP QB 2 14 ASN H 3.500 . 4.000 2.636 2.320 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
739 1 11 ASP H 1 14 ASN H 4.500 . 5.000 3.897 3.603 4.180 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
740 2 11 ASP H 2 14 ASN H 4.500 . 5.000 3.897 3.603 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
741 1 11 ASP H 1 17 TRP HA 4.500 . 5.000 4.392 3.906 4.875 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
742 2 11 ASP H 2 17 TRP HA 4.500 . 5.000 4.392 3.906 4.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
743 1 12 SER H 1 12 SER HA 2.500 . 3.000 2.763 2.707 2.816 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
744 2 12 SER H 2 12 SER HA 2.500 . 3.000 2.763 2.708 2.817 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
745 1 12 SER H 1 12 SER QB 2.620 . 3.120 2.268 2.040 2.620 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
746 2 12 SER H 2 12 SER QB 2.620 . 3.120 2.268 2.042 2.622 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
747 1 12 SER HA 1 13 ARG H 3.000 . 3.500 3.551 3.544 3.559 0.059 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
748 2 12 SER HA 2 13 ARG H 3.000 . 3.500 3.551 3.544 3.558 0.058 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
749 1 12 SER QB 1 13 ARG H 3.960 . 4.460 2.036 1.945 2.223 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
750 2 12 SER QB 2 13 ARG H 3.960 . 4.460 2.036 1.947 2.223 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
751 1 12 SER H 1 13 ARG H 3.500 . 4.000 3.089 2.916 3.247 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
752 2 12 SER H 2 13 ARG H 3.500 . 4.000 3.089 2.917 3.246 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
753 1 12 SER HA 1 14 ASN H 3.500 . 4.000 4.005 3.952 4.104 0.104 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
754 2 12 SER HA 2 14 ASN H 3.500 . 4.000 4.005 3.951 4.103 0.103 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
755 1 12 SER QB 1 14 ASN H 3.500 . 4.000 4.077 4.013 4.130 0.130 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
756 2 12 SER QB 2 14 ASN H 3.500 . 4.000 4.077 4.012 4.130 0.130 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
757 1 12 SER H 1 14 ASN H 3.500 . 4.000 3.777 3.553 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
758 2 12 SER H 2 14 ASN H 3.500 . 4.000 3.777 3.552 3.933 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
759 1 13 ARG HA 1 13 ARG QD 4.500 . 5.000 3.791 2.053 4.476 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
760 2 13 ARG HA 2 13 ARG QD 4.500 . 5.000 3.791 2.054 4.476 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
761 1 13 ARG QB 1 13 ARG QD 3.000 . 3.500 2.117 1.976 2.515 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
762 2 13 ARG QB 2 13 ARG QD 3.000 . 3.500 2.117 1.976 2.515 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
763 1 13 ARG H 1 13 ARG QB 2.180 . 2.680 2.559 2.167 2.717 0.037 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
764 2 13 ARG H 2 13 ARG QB 2.180 . 2.680 2.559 2.167 2.716 0.036 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
765 1 13 ARG H 1 13 ARG QG 2.500 . 3.000 2.343 1.965 3.034 0.034 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
766 2 13 ARG H 2 13 ARG QG 2.500 . 3.000 2.344 1.966 3.035 0.035 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
767 1 13 ARG HA 1 14 ASN H 3.000 . 3.500 3.088 2.992 3.292 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
768 2 13 ARG HA 2 14 ASN H 3.000 . 3.500 3.087 2.992 3.292 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
769 1 13 ARG QB 1 14 ASN H 3.500 . 4.000 3.826 3.435 4.024 0.024 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
770 2 13 ARG QB 2 14 ASN H 3.500 . 4.000 3.826 3.436 4.023 0.023 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
771 1 13 ARG H 1 14 ASN QB 4.500 . 5.000 3.964 3.736 4.381 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
772 2 13 ARG H 2 14 ASN QB 4.500 . 5.000 3.964 3.737 4.381 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
773 1 13 ARG H 1 14 ASN H 3.000 . 3.500 2.700 2.570 2.778 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
774 2 13 ARG H 2 14 ASN H 3.000 . 3.500 2.700 2.570 2.779 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
775 1 14 ASN HA 1 14 ASN QB 2.620 . 3.120 2.503 2.393 2.544 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
776 2 14 ASN HA 2 14 ASN QB 2.620 . 3.120 2.503 2.392 2.544 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
777 1 14 ASN H 1 14 ASN HA 3.000 . 3.500 2.938 2.928 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
778 2 14 ASN H 2 14 ASN HA 3.000 . 3.500 2.938 2.927 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
779 1 14 ASN QB 1 14 ASN QD 2.100 . 2.600 2.472 2.026 2.619 0.019 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
780 2 14 ASN QB 2 14 ASN QD 2.100 . 2.600 2.472 2.026 2.619 0.019 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
781 1 14 ASN H 1 14 ASN QB 2.500 . 3.000 2.502 2.323 2.618 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
782 2 14 ASN H 2 14 ASN QB 2.500 . 3.000 2.503 2.323 2.617 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
783 1 14 ASN H 1 14 ASN QD 3.960 . 4.460 4.436 3.824 4.615 0.155 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
784 2 14 ASN H 2 14 ASN QD 3.960 . 4.460 4.436 3.825 4.616 0.156 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
785 1 14 ASN HA 1 15 PRO QB 4.500 . 5.000 4.712 4.648 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
786 2 14 ASN HA 2 15 PRO QB 4.500 . 5.000 4.712 4.647 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
787 1 14 ASN HA 1 15 PRO QD 1.820 . 2.320 1.965 1.900 2.065 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
788 2 14 ASN HA 2 15 PRO QD 1.820 . 2.320 1.965 1.901 2.064 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
789 1 14 ASN HA 1 15 PRO QG 3.960 . 4.460 3.858 3.744 3.960 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
790 2 14 ASN HA 2 15 PRO QG 3.960 . 4.460 3.858 3.743 3.960 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
791 1 14 ASN QB 1 15 PRO QD 3.470 . 3.970 3.659 3.400 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
792 2 14 ASN QB 2 15 PRO QD 3.470 . 3.970 3.659 3.400 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
793 1 14 ASN QD 1 15 PRO QD 4.500 . 5.000 2.865 2.025 4.646 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
794 2 14 ASN QD 2 15 PRO QD 4.500 . 5.000 2.865 2.025 4.646 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
795 1 14 ASN H 1 15 PRO QD 3.500 . 4.000 3.838 3.400 4.092 0.092 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
796 2 14 ASN H 2 15 PRO QD 3.500 . 4.000 3.838 3.399 4.092 0.092 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
797 1 14 ASN HA 1 16 LEU H 3.500 . 4.000 3.858 3.519 4.038 0.038 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
798 2 14 ASN HA 2 16 LEU H 3.500 . 4.000 3.858 3.519 4.038 0.038 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
799 1 14 ASN QB 1 16 LEU HG 6.000 . 6.500 4.906 4.044 6.555 0.055 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
800 2 14 ASN QB 2 16 LEU HG 6.000 . 6.500 4.906 4.043 6.556 0.056 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
801 1 14 ASN QB 1 16 LEU H 3.960 . 4.460 3.843 3.445 4.505 0.045 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
802 2 14 ASN QB 2 16 LEU H 3.960 . 4.460 3.843 3.446 4.505 0.045 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
803 1 14 ASN QD 1 16 LEU QB 4.500 . 5.000 4.132 2.117 5.080 0.080 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
804 2 14 ASN QD 2 16 LEU QB 4.500 . 5.000 4.132 2.117 5.080 0.080 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
805 1 14 ASN QD 1 16 LEU MD1 3.960 . 4.460 2.298 1.801 3.683 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
806 2 14 ASN QD 2 16 LEU MD1 3.960 . 4.460 2.298 1.801 3.684 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
807 1 14 ASN QD 1 16 LEU HG 4.500 . 5.000 4.076 3.518 5.030 0.030 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
808 2 14 ASN QD 2 16 LEU HG 4.500 . 5.000 4.076 3.516 5.030 0.030 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
809 1 14 ASN QD 1 16 LEU H 4.500 . 5.000 3.610 1.978 5.078 0.078 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
810 2 14 ASN QD 2 16 LEU H 4.500 . 5.000 3.610 1.978 5.079 0.079 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
811 1 15 PRO QB 1 15 PRO QD 3.000 . 3.500 2.766 2.731 2.838 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
812 2 15 PRO QB 2 15 PRO QD 3.000 . 3.500 2.766 2.732 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
813 1 15 PRO QD 1 15 PRO QG 2.100 . 2.600 1.968 1.960 1.977 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
814 2 15 PRO QD 2 15 PRO QG 2.100 . 2.600 1.968 1.960 1.976 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
815 1 15 PRO QB 1 16 LEU H 2.500 . 3.000 2.802 2.250 3.082 0.082 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
816 2 15 PRO QB 2 16 LEU H 2.500 . 3.000 2.802 2.250 3.083 0.083 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
817 1 15 PRO QD 1 16 LEU H 3.000 . 3.500 2.723 2.267 3.129 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
818 2 15 PRO QD 2 16 LEU H 3.000 . 3.500 2.723 2.269 3.131 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
819 1 15 PRO QG 1 16 LEU H 3.000 . 3.500 2.732 2.062 3.589 0.089 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
820 2 15 PRO QG 2 16 LEU H 3.000 . 3.500 2.732 2.061 3.588 0.088 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
821 1 16 LEU H 1 16 LEU HA 3.000 . 3.500 2.786 2.726 2.862 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
822 2 16 LEU H 2 16 LEU HA 3.000 . 3.500 2.786 2.726 2.861 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
823 1 16 LEU H 1 16 LEU QB 2.100 . 2.600 2.289 1.996 2.662 0.062 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
824 2 16 LEU H 2 16 LEU QB 2.100 . 2.600 2.289 1.997 2.661 0.061 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
825 1 16 LEU H 1 16 LEU MD1 3.000 . 3.500 2.299 1.851 3.586 0.086 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
826 2 16 LEU H 2 16 LEU MD1 3.000 . 3.500 2.299 1.851 3.585 0.085 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
827 1 16 LEU H 1 16 LEU MD2 4.500 . 5.000 3.776 1.908 4.440 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
828 2 16 LEU H 2 16 LEU MD2 4.500 . 5.000 3.775 1.908 4.440 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
829 1 16 LEU HA 1 17 TRP HD1 3.000 . 3.500 3.415 2.846 3.546 0.046 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
830 2 16 LEU HA 2 17 TRP HD1 3.000 . 3.500 3.415 2.846 3.545 0.045 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
831 1 16 LEU HA 1 17 TRP HE1 6.000 . 6.500 5.135 4.428 5.453 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
832 2 16 LEU HA 2 17 TRP HE1 6.000 . 6.500 5.135 4.426 5.454 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
833 1 16 LEU HA 1 17 TRP H 2.100 . 2.600 2.347 2.186 2.676 0.076 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
834 2 16 LEU HA 2 17 TRP H 2.100 . 2.600 2.347 2.185 2.677 0.077 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
835 1 16 LEU QB 1 17 TRP H 3.000 . 3.500 2.699 1.998 3.419 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
836 2 16 LEU QB 2 17 TRP H 3.000 . 3.500 2.699 2.001 3.418 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
837 1 16 LEU MD1 1 17 TRP H 6.000 . 6.500 4.148 3.703 4.659 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
838 2 16 LEU MD1 2 17 TRP H 6.000 . 6.500 4.148 3.703 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
839 1 16 LEU MD2 1 17 TRP HD1 4.500 . 5.000 4.883 4.242 5.111 0.111 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
840 2 16 LEU MD2 2 17 TRP HD1 4.500 . 5.000 4.883 4.242 5.113 0.113 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
841 1 16 LEU MD2 1 17 TRP H 6.000 . 6.500 2.769 2.217 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
842 2 16 LEU MD2 2 17 TRP H 6.000 . 6.500 2.769 2.215 3.515 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
843 1 16 LEU HG 1 17 TRP H 4.500 . 5.000 4.311 2.363 4.973 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
844 2 16 LEU HG 2 17 TRP H 4.500 . 5.000 4.311 2.365 4.973 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
845 1 16 LEU H 1 17 TRP H 4.500 . 5.000 4.630 4.468 4.663 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
846 2 16 LEU H 2 17 TRP H 4.500 . 5.000 4.629 4.468 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
847 1 16 LEU MD1 1 18 LYS QE 4.500 . 5.000 4.414 3.209 5.048 0.048 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
848 2 16 LEU MD1 2 18 LYS QE 4.500 . 5.000 4.414 3.209 5.049 0.049 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
849 1 16 LEU MD2 1 18 LYS QE 3.000 . 3.500 3.319 2.367 3.541 0.041 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
850 2 16 LEU MD2 2 18 LYS QE 3.000 . 3.500 3.319 2.366 3.540 0.040 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
851 1 17 TRP HA 1 17 TRP HD1 4.500 . 5.000 3.962 3.800 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
852 2 17 TRP HA 2 17 TRP HD1 4.500 . 5.000 3.962 3.801 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
853 1 17 TRP HA 1 17 TRP HE3 3.000 . 3.500 3.393 3.261 3.567 0.067 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
854 2 17 TRP HA 2 17 TRP HE3 3.000 . 3.500 3.393 3.262 3.567 0.067 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
855 1 17 TRP H 1 17 TRP HA 2.500 . 3.000 2.905 2.832 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
856 2 17 TRP H 2 17 TRP HA 2.500 . 3.000 2.905 2.831 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
857 1 17 TRP HA 1 17 TRP HZ3 6.000 . 6.500 5.447 5.323 5.615 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
858 2 17 TRP HA 2 17 TRP HZ3 6.000 . 6.500 5.447 5.324 5.614 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
859 1 17 TRP H 1 17 TRP QB 2.620 . 3.120 2.366 2.329 2.483 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
860 2 17 TRP H 2 17 TRP QB 2.620 . 3.120 2.366 2.329 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
861 1 17 TRP H 1 17 TRP HD1 2.100 . 2.600 2.562 2.292 2.651 0.051 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
862 2 17 TRP H 2 17 TRP HD1 2.100 . 2.600 2.562 2.291 2.653 0.053 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
863 1 17 TRP H 1 17 TRP HE1 6.000 . 6.500 4.924 4.604 5.099 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
864 2 17 TRP H 2 17 TRP HE1 6.000 . 6.500 4.924 4.604 5.098 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
865 1 17 TRP H 1 17 TRP HE3 6.000 . 6.500 5.504 5.367 5.681 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
866 2 17 TRP H 2 17 TRP HE3 6.000 . 6.500 5.504 5.367 5.682 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
867 1 17 TRP HH2 1 17 TRP HZ3 2.100 . 2.600 2.440 2.435 2.445 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
868 2 17 TRP HH2 2 17 TRP HZ3 2.100 . 2.600 2.440 2.435 2.444 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
869 1 17 TRP HA 1 18 LYS HA 4.500 . 5.000 4.339 4.323 4.405 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
870 2 17 TRP HA 2 18 LYS HA 4.500 . 5.000 4.339 4.324 4.406 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
871 1 17 TRP HA 1 18 LYS H 2.100 . 2.600 2.282 2.208 2.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
872 2 17 TRP HA 2 18 LYS H 2.100 . 2.600 2.282 2.208 2.501 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
873 1 17 TRP QB 1 18 LYS H 3.000 . 3.500 2.699 2.211 2.882 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
874 2 17 TRP QB 2 18 LYS H 3.000 . 3.500 2.699 2.210 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
875 1 17 TRP HD1 1 18 LYS H 6.000 . 6.500 5.837 5.592 5.931 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
876 2 17 TRP HD1 2 18 LYS H 6.000 . 6.500 5.837 5.593 5.930 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
877 1 17 TRP HE3 1 18 LYS H 3.000 . 3.500 3.458 3.115 3.543 0.043 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
878 2 17 TRP HE3 2 18 LYS H 3.000 . 3.500 3.458 3.115 3.542 0.042 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
879 1 17 TRP H 1 18 LYS H 4.500 . 5.000 4.579 4.496 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
880 2 17 TRP H 2 18 LYS H 4.500 . 5.000 4.579 4.497 4.624 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
881 1 17 TRP HZ3 1 18 LYS H 6.000 . 6.500 5.651 5.417 5.738 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
882 2 17 TRP HZ3 2 18 LYS H 6.000 . 6.500 5.651 5.418 5.738 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
883 1 17 TRP HH2 1 46 LYS HA 3.000 . 3.500 3.260 2.891 3.524 0.024 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
884 2 17 TRP HH2 2 46 LYS HA 3.000 . 3.500 3.260 2.891 3.524 0.024 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
885 1 17 TRP HZ2 1 46 LYS HA 4.500 . 5.000 4.932 4.621 5.030 0.030 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
886 2 17 TRP HZ2 2 46 LYS HA 4.500 . 5.000 4.932 4.623 5.030 0.030 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
887 1 17 TRP HZ3 1 46 LYS HA 4.500 . 5.000 3.991 3.565 4.517 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
888 2 17 TRP HZ3 2 46 LYS HA 4.500 . 5.000 3.991 3.565 4.517 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
889 1 17 TRP HE3 1 47 ALA HA 4.500 . 5.000 3.607 3.471 3.807 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
890 2 17 TRP HE3 2 47 ALA HA 4.500 . 5.000 3.607 3.471 3.806 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
891 1 17 TRP HH2 1 47 ALA HA 6.000 . 6.500 3.995 3.866 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
892 2 17 TRP HH2 2 47 ALA HA 6.000 . 6.500 3.995 3.864 4.094 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
893 1 17 TRP HH2 1 47 ALA MB 4.500 . 5.000 5.005 4.924 5.043 0.043 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
894 2 17 TRP HH2 2 47 ALA MB 4.500 . 5.000 5.005 4.924 5.042 0.042 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
895 1 17 TRP HZ3 1 47 ALA HA 2.100 . 2.600 1.977 1.944 2.033 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
896 2 17 TRP HZ3 2 47 ALA HA 2.100 . 2.600 1.977 1.946 2.033 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
897 1 17 TRP HZ3 1 47 ALA MB 6.000 . 6.500 3.681 3.630 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
898 2 17 TRP HZ3 2 47 ALA MB 6.000 . 6.500 3.681 3.629 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
899 1 17 TRP HZ3 1 47 ALA H 4.500 . 5.000 3.642 3.361 4.118 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
900 2 17 TRP HZ3 2 47 ALA H 4.500 . 5.000 3.642 3.361 4.120 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
901 1 17 TRP HE3 1 48 LYS QB 4.500 . 5.000 4.064 3.535 4.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
902 2 17 TRP HE3 2 48 LYS QB 4.500 . 5.000 4.064 3.536 4.490 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
903 1 17 TRP HE3 1 48 LYS H 6.000 . 6.500 4.167 3.827 4.497 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
904 2 17 TRP HE3 2 48 LYS H 6.000 . 6.500 4.167 3.829 4.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
905 1 17 TRP HH2 1 48 LYS QB 5.300 . 5.800 4.579 4.054 5.042 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
906 2 17 TRP HH2 2 48 LYS QB 5.300 . 5.800 4.579 4.055 5.041 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
907 1 17 TRP HH2 1 48 LYS QE 4.500 . 5.000 4.286 3.313 4.965 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
908 2 17 TRP HH2 2 48 LYS QE 4.500 . 5.000 4.286 3.314 4.964 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
909 1 17 TRP HH2 1 48 LYS H 6.000 . 6.500 5.000 4.653 5.302 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
910 2 17 TRP HH2 2 48 LYS H 6.000 . 6.500 5.000 4.655 5.301 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
911 1 17 TRP HZ2 1 48 LYS QD 4.500 . 5.000 3.448 2.500 4.491 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
912 2 17 TRP HZ2 2 48 LYS QD 4.500 . 5.000 3.448 2.501 4.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
913 1 17 TRP HZ2 1 48 LYS QE 3.960 . 4.460 3.904 2.783 4.472 0.012 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
914 2 17 TRP HZ2 2 48 LYS QE 3.960 . 4.460 3.904 2.784 4.472 0.012 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
915 1 17 TRP HZ3 1 48 LYS QB 4.500 . 5.000 3.780 3.221 4.272 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
916 2 17 TRP HZ3 2 48 LYS QB 4.500 . 5.000 3.780 3.221 4.271 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
917 1 17 TRP HZ3 1 48 LYS QG 4.500 . 5.000 2.564 2.295 2.991 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
918 2 17 TRP HZ3 2 48 LYS QG 4.500 . 5.000 2.564 2.295 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
919 1 17 TRP HZ3 1 48 LYS H 3.000 . 3.500 3.194 2.875 3.507 0.007 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
920 2 17 TRP HZ3 2 48 LYS H 3.000 . 3.500 3.194 2.876 3.507 0.007 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
921 1 18 LYS HA 1 18 LYS QB 2.100 . 2.600 2.492 2.437 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
922 2 18 LYS HA 2 18 LYS QB 2.100 . 2.600 2.492 2.437 2.541 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
923 1 18 LYS HA 1 18 LYS QG 2.100 . 2.600 2.420 2.095 2.644 0.044 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
924 2 18 LYS HA 2 18 LYS QG 2.100 . 2.600 2.420 2.095 2.645 0.045 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
925 1 18 LYS H 1 18 LYS HA 3.000 . 3.500 2.901 2.875 2.944 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
926 2 18 LYS H 2 18 LYS HA 3.000 . 3.500 2.901 2.874 2.944 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
927 1 18 LYS H 1 18 LYS QB 2.620 . 3.120 2.258 2.148 2.439 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
928 2 18 LYS H 2 18 LYS QB 2.620 . 3.120 2.258 2.147 2.439 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
929 1 18 LYS H 1 18 LYS QD 4.500 . 5.000 4.188 3.165 4.791 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
930 2 18 LYS H 2 18 LYS QD 4.500 . 5.000 4.188 3.165 4.790 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
931 1 18 LYS QE 1 18 LYS QG 3.000 . 3.500 2.157 1.945 2.904 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
932 2 18 LYS QE 2 18 LYS QG 3.000 . 3.500 2.157 1.946 2.903 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
933 1 18 LYS HA 1 19 GLY H 2.100 . 2.600 2.265 2.241 2.305 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
934 2 18 LYS HA 2 19 GLY H 2.100 . 2.600 2.265 2.242 2.307 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
935 1 18 LYS QB 1 19 GLY H 3.000 . 3.500 3.107 2.696 3.333 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
936 2 18 LYS QB 2 19 GLY H 3.000 . 3.500 3.108 2.695 3.335 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
937 1 18 LYS QD 1 19 GLY H 3.500 . 4.000 3.426 2.301 4.063 0.063 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
938 2 18 LYS QD 2 19 GLY H 3.500 . 4.000 3.425 2.301 4.064 0.064 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
939 1 18 LYS QE 1 19 GLY H 4.500 . 5.000 3.231 2.095 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
940 2 18 LYS QE 2 19 GLY H 4.500 . 5.000 3.231 2.096 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
941 1 18 LYS QG 1 19 GLY H 3.000 . 3.500 2.438 1.928 3.595 0.095 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
942 2 18 LYS QG 2 19 GLY H 3.000 . 3.500 2.438 1.927 3.593 0.093 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
943 1 18 LYS H 1 19 GLY H 4.500 . 5.000 4.559 4.480 4.592 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
944 2 18 LYS H 2 19 GLY H 4.500 . 5.000 4.559 4.479 4.590 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
945 1 19 GLY H 1 19 GLY QA 2.100 . 2.600 2.173 2.169 2.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
946 2 19 GLY H 2 19 GLY QA 2.100 . 2.600 2.173 2.169 2.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
947 1 19 GLY QA 1 20 PRO QD 4.500 . 5.000 2.066 2.050 2.082 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
948 2 19 GLY QA 2 20 PRO QD 4.500 . 5.000 2.066 2.050 2.083 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
949 1 19 GLY H 1 20 PRO QD 4.500 . 5.000 4.328 4.312 4.344 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
950 2 19 GLY H 2 20 PRO QD 4.500 . 5.000 4.328 4.313 4.346 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
951 1 19 GLY QA 1 21 ALA MB 5.300 . 5.800 4.808 4.665 4.989 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
952 2 19 GLY QA 2 21 ALA MB 5.300 . 5.800 4.808 4.664 4.990 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
953 1 19 GLY QA 1 21 ALA H 3.960 . 4.460 4.319 4.151 4.472 0.012 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
954 2 19 GLY QA 2 21 ALA H 3.960 . 4.460 4.319 4.150 4.472 0.012 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
955 1 20 PRO QB 1 20 PRO QD 2.620 . 3.120 2.808 2.771 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
956 2 20 PRO QB 2 20 PRO QD 2.620 . 3.120 2.808 2.771 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
957 1 20 PRO QD 1 20 PRO QG 1.820 . 2.320 1.957 1.953 1.961 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
958 2 20 PRO QD 2 20 PRO QG 1.820 . 2.320 1.957 1.953 1.962 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
959 1 20 PRO QB 1 21 ALA H 3.500 . 4.000 3.888 3.833 3.929 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
960 2 20 PRO QB 2 21 ALA H 3.500 . 4.000 3.888 3.835 3.931 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
961 1 20 PRO QD 1 21 ALA HA 4.500 . 5.000 5.061 5.034 5.090 0.090 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
962 2 20 PRO QD 2 21 ALA HA 4.500 . 5.000 5.061 5.032 5.090 0.090 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
963 1 20 PRO QD 1 21 ALA H 4.500 . 5.000 4.452 4.373 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
964 2 20 PRO QD 2 21 ALA H 4.500 . 5.000 4.453 4.373 4.527 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
965 1 20 PRO QG 1 21 ALA H 4.500 . 5.000 4.649 4.593 4.695 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
966 2 20 PRO QG 2 21 ALA H 4.500 . 5.000 4.649 4.593 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
967 1 21 ALA HA 1 21 ALA MB 2.100 . 2.600 2.127 2.125 2.130 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
968 2 21 ALA HA 2 21 ALA MB 2.100 . 2.600 2.127 2.125 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
969 1 21 ALA H 1 21 ALA MB 2.100 . 2.600 2.233 2.215 2.252 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
970 2 21 ALA H 2 21 ALA MB 2.100 . 2.600 2.233 2.215 2.251 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
971 1 21 ALA HA 1 22 LYS H 2.100 . 2.600 2.420 2.306 2.608 0.008 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
972 2 21 ALA HA 2 22 LYS H 2.100 . 2.600 2.420 2.307 2.607 0.007 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
973 1 21 ALA MB 1 22 LYS H 2.100 . 2.600 2.402 2.055 2.610 0.010 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
974 2 21 ALA MB 2 22 LYS H 2.100 . 2.600 2.402 2.052 2.610 0.010 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
975 1 21 ALA H 1 22 LYS H 4.500 . 5.000 4.623 4.571 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
976 2 21 ALA H 2 22 LYS H 4.500 . 5.000 4.623 4.572 4.655 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
977 1 21 ALA HA 1 33 ILE MD 4.500 . 5.000 4.083 3.948 4.308 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
978 2 21 ALA HA 2 33 ILE MD 4.500 . 5.000 4.083 3.950 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
979 1 21 ALA MB 1 33 ILE HA 4.500 . 5.000 3.854 3.739 4.049 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
980 2 21 ALA MB 2 33 ILE HA 4.500 . 5.000 3.854 3.739 4.049 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
981 1 21 ALA MB 1 33 ILE HB 2.100 . 2.600 1.830 1.803 1.955 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
982 2 21 ALA MB 2 33 ILE HB 2.100 . 2.600 1.830 1.803 1.954 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
983 1 21 ALA MB 1 33 ILE MD 2.100 . 2.600 1.826 1.729 1.992 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
984 2 21 ALA MB 2 33 ILE MD 2.100 . 2.600 1.826 1.729 1.992 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
985 1 21 ALA MB 1 33 ILE MG 2.100 . 2.600 2.631 2.577 2.677 0.077 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
986 2 21 ALA MB 2 33 ILE MG 2.100 . 2.600 2.631 2.577 2.677 0.077 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
987 1 21 ALA H 1 33 ILE MD 4.500 . 5.000 3.773 3.623 3.996 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
988 2 21 ALA H 2 33 ILE MD 4.500 . 5.000 3.773 3.621 3.997 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
989 1 21 ALA MB 1 34 GLN H 3.500 . 4.000 2.898 2.550 3.294 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
990 2 21 ALA MB 2 34 GLN H 3.500 . 4.000 2.897 2.549 3.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
991 1 21 ALA HA 1 35 ASP QB 4.500 . 5.000 4.844 4.403 5.052 0.052 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
992 2 21 ALA HA 2 35 ASP QB 4.500 . 5.000 4.844 4.405 5.051 0.051 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
993 1 21 ALA MB 1 35 ASP HA 3.000 . 3.500 2.629 2.523 2.730 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
994 2 21 ALA MB 2 35 ASP HA 3.000 . 3.500 2.630 2.524 2.731 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
995 1 21 ALA MB 1 35 ASP QB 3.000 . 3.500 3.470 3.233 3.534 0.034 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
996 2 21 ALA MB 2 35 ASP QB 3.000 . 3.500 3.470 3.235 3.533 0.033 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
997 1 21 ALA MB 1 35 ASP H 4.500 . 5.000 3.715 3.558 3.801 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
998 2 21 ALA MB 2 35 ASP H 4.500 . 5.000 3.715 3.556 3.801 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
999 1 21 ALA MB 1 36 ASN H 4.500 . 5.000 5.021 4.949 5.075 0.075 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
1000 2 21 ALA MB 2 36 ASN H 4.500 . 5.000 5.021 4.949 5.076 0.076 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
1001 1 22 LYS HA 1 22 LYS QB 2.100 . 2.600 2.330 2.150 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1002 2 22 LYS HA 2 22 LYS QB 2.100 . 2.600 2.330 2.151 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1003 1 22 LYS HA 1 22 LYS QG 3.000 . 3.500 2.654 2.160 3.466 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1004 2 22 LYS HA 2 22 LYS QG 3.000 . 3.500 2.654 2.159 3.467 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1005 1 22 LYS H 1 22 LYS HA 3.000 . 3.500 2.880 2.834 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1006 2 22 LYS H 2 22 LYS HA 3.000 . 3.500 2.880 2.833 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1007 1 22 LYS H 1 22 LYS QB 2.100 . 2.600 2.340 2.146 2.606 0.006 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
1008 2 22 LYS H 2 22 LYS QB 2.100 . 2.600 2.340 2.146 2.606 0.006 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
1009 1 22 LYS H 1 22 LYS QG 2.500 . 3.000 2.636 2.042 3.064 0.064 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1010 2 22 LYS H 2 22 LYS QG 2.500 . 3.000 2.635 2.038 3.066 0.066 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1011 1 22 LYS HA 1 23 LEU HA 4.500 . 5.000 4.347 4.330 4.371 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1012 2 22 LYS HA 2 23 LEU HA 4.500 . 5.000 4.347 4.331 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1013 1 22 LYS HA 1 23 LEU H 2.100 . 2.600 2.189 2.138 2.263 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1014 2 22 LYS HA 2 23 LEU H 2.100 . 2.600 2.189 2.139 2.264 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1015 1 22 LYS QB 1 23 LEU H 3.000 . 3.500 3.096 2.751 3.466 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1016 2 22 LYS QB 2 23 LEU H 3.000 . 3.500 3.096 2.752 3.465 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1017 1 22 LYS QG 1 23 LEU H 4.500 . 5.000 3.849 3.146 4.339 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1018 2 22 LYS QG 2 23 LEU H 4.500 . 5.000 3.849 3.146 4.337 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1019 1 22 LYS H 1 23 LEU H 4.500 . 5.000 4.558 4.412 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1020 2 22 LYS H 2 23 LEU H 4.500 . 5.000 4.558 4.414 4.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1021 1 22 LYS HA 1 24 LEU H 6.000 . 6.500 6.025 5.879 6.181 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1022 2 22 LYS HA 2 24 LEU H 6.000 . 6.500 6.025 5.880 6.181 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1023 1 22 LYS QB 1 24 LEU MD2 4.500 . 5.000 3.843 2.785 4.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1024 2 22 LYS QB 2 24 LEU MD2 4.500 . 5.000 3.843 2.785 4.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1025 1 22 LYS QB 1 24 LEU H 6.000 . 6.500 5.454 5.011 6.115 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1026 2 22 LYS QB 2 24 LEU H 6.000 . 6.500 5.453 5.009 6.117 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1027 1 22 LYS QE 1 24 LEU MD2 6.000 . 6.500 4.782 1.976 6.483 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1028 2 22 LYS QE 2 24 LEU MD2 6.000 . 6.500 4.782 1.977 6.483 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1029 1 22 LYS H 1 33 ILE HA 4.500 . 5.000 4.608 4.124 4.991 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1030 2 22 LYS H 2 33 ILE HA 4.500 . 5.000 4.608 4.127 4.991 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1031 1 22 LYS H 1 33 ILE MD 4.500 . 5.000 4.290 3.826 4.707 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1032 2 22 LYS H 2 33 ILE MD 4.500 . 5.000 4.290 3.827 4.707 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1033 1 22 LYS H 1 33 ILE MG 4.500 . 5.000 4.179 3.845 4.486 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1034 2 22 LYS H 2 33 ILE MG 4.500 . 5.000 4.179 3.847 4.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1035 1 22 LYS HA 1 34 GLN H 4.500 . 5.000 4.478 4.236 4.769 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1036 2 22 LYS HA 2 34 GLN H 4.500 . 5.000 4.478 4.235 4.768 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1037 1 22 LYS QB 1 34 GLN HA 4.500 . 5.000 4.841 4.463 5.068 0.068 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1038 2 22 LYS QB 2 34 GLN HA 4.500 . 5.000 4.841 4.464 5.066 0.066 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1039 1 22 LYS QD 1 34 GLN QE 6.000 . 6.500 4.911 2.473 6.185 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1040 2 22 LYS QD 2 34 GLN QE 6.000 . 6.500 4.911 2.472 6.186 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1041 1 22 LYS H 1 34 GLN HA 4.500 . 5.000 4.592 4.128 5.006 0.006 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
1042 2 22 LYS H 2 34 GLN HA 4.500 . 5.000 4.592 4.128 5.007 0.007 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
1043 1 22 LYS H 1 34 GLN QB 4.500 . 5.000 3.218 2.721 3.752 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1044 2 22 LYS H 2 34 GLN QB 4.500 . 5.000 3.218 2.720 3.752 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1045 1 22 LYS H 1 34 GLN H 3.000 . 3.500 2.748 2.117 3.159 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1046 2 22 LYS H 2 34 GLN H 3.000 . 3.500 2.748 2.116 3.158 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1047 1 23 LEU H 1 23 LEU HA 3.000 . 3.500 2.858 2.800 2.905 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1048 2 23 LEU H 2 23 LEU HA 3.000 . 3.500 2.858 2.800 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1049 1 23 LEU H 1 23 LEU MD1 4.500 . 5.000 4.043 3.690 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1050 2 23 LEU H 2 23 LEU MD1 4.500 . 5.000 4.043 3.689 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1051 1 23 LEU H 1 23 LEU MD2 4.500 . 5.000 4.250 4.172 4.312 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1052 2 23 LEU H 2 23 LEU MD2 4.500 . 5.000 4.250 4.172 4.313 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1053 1 23 LEU HA 1 24 LEU H 2.100 . 2.600 2.173 2.143 2.233 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1054 2 23 LEU HA 2 24 LEU H 2.100 . 2.600 2.173 2.142 2.234 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1055 1 23 LEU MD1 1 24 LEU H 3.000 . 3.500 2.653 2.224 3.011 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1056 2 23 LEU MD1 2 24 LEU H 3.000 . 3.500 2.653 2.223 3.011 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1057 1 23 LEU HA 1 25 TRP H 4.500 . 5.000 4.053 3.848 4.319 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1058 2 23 LEU HA 2 25 TRP H 4.500 . 5.000 4.053 3.850 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1059 1 23 LEU MD1 1 25 TRP H 3.000 . 3.500 3.382 2.646 3.525 0.025 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
1060 2 23 LEU MD1 2 25 TRP H 3.000 . 3.500 3.382 2.644 3.524 0.024 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
1061 1 23 LEU HG 1 25 TRP H 3.500 . 4.000 3.769 3.463 4.002 0.002 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
1062 2 23 LEU HG 2 25 TRP H 3.500 . 4.000 3.769 3.462 4.003 0.003 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
1063 1 23 LEU MD1 1 26 LYS QB 3.070 . 3.570 2.453 2.211 2.831 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1064 2 23 LEU MD1 2 26 LYS QB 3.070 . 3.570 2.453 2.211 2.831 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1065 1 23 LEU MD1 1 26 LYS QE 4.500 . 5.000 3.674 2.524 4.798 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1066 2 23 LEU MD1 2 26 LYS QE 4.500 . 5.000 3.674 2.524 4.797 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1067 1 23 LEU MD1 1 26 LYS H 4.500 . 5.000 4.607 4.119 5.015 0.015 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
1068 2 23 LEU MD1 2 26 LYS H 4.500 . 5.000 4.607 4.119 5.016 0.016 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
1069 1 23 LEU MD2 1 26 LYS QE 4.500 . 5.000 3.697 2.055 4.976 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1070 2 23 LEU MD2 2 26 LYS QE 4.500 . 5.000 3.697 2.055 4.976 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1071 1 23 LEU HA 1 33 ILE HA 3.000 . 3.500 3.421 3.165 3.533 0.033 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
1072 2 23 LEU HA 2 33 ILE HA 3.000 . 3.500 3.421 3.168 3.532 0.032 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
1073 1 23 LEU HA 1 33 ILE MG 3.500 . 4.000 2.116 1.936 2.417 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1074 2 23 LEU HA 2 33 ILE MG 3.500 . 4.000 2.116 1.936 2.417 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1075 1 23 LEU MD1 1 33 ILE HA 4.500 . 5.000 4.478 4.033 4.918 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1076 2 23 LEU MD1 2 33 ILE HA 4.500 . 5.000 4.478 4.035 4.920 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1077 1 23 LEU MD2 1 49 ILE MG 3.500 . 4.000 3.165 2.262 4.046 0.046 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
1078 2 23 LEU MD2 2 49 ILE MG 3.500 . 4.000 3.166 2.261 4.048 0.048 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
1079 1 24 LEU H 1 24 LEU HA 3.000 . 3.500 2.944 2.931 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1080 2 24 LEU H 2 24 LEU HA 3.000 . 3.500 2.944 2.930 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1081 1 24 LEU MD1 1 24 LEU HG 2.100 . 2.600 2.112 2.086 2.126 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1082 2 24 LEU MD1 2 24 LEU HG 2.100 . 2.600 2.112 2.085 2.126 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1083 1 24 LEU H 1 24 LEU MD1 4.500 . 5.000 4.096 3.710 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1084 2 24 LEU H 2 24 LEU MD1 4.500 . 5.000 4.095 3.710 4.459 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1085 1 24 LEU HA 1 25 TRP H 4.500 . 5.000 3.557 3.529 3.574 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1086 2 24 LEU HA 2 25 TRP H 4.500 . 5.000 3.557 3.531 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1087 1 24 LEU MD1 1 25 TRP H 4.500 . 5.000 4.438 4.018 4.737 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1088 2 24 LEU MD1 2 25 TRP H 4.500 . 5.000 4.438 4.018 4.735 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1089 1 24 LEU MD2 1 25 TRP H 4.500 . 5.000 4.666 4.476 4.859 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1090 2 24 LEU MD2 2 25 TRP H 4.500 . 5.000 4.666 4.475 4.858 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1091 1 24 LEU H 1 25 TRP H 3.000 . 3.500 2.042 1.969 2.199 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1092 2 24 LEU H 2 25 TRP H 3.000 . 3.500 2.043 1.969 2.198 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1093 1 24 LEU MD1 1 32 VAL MG1 2.100 . 2.600 2.384 2.076 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1094 2 24 LEU MD1 2 32 VAL MG1 2.100 . 2.600 2.384 2.078 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1095 1 24 LEU H 1 32 VAL H 4.500 . 5.000 4.762 4.610 4.884 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1096 2 24 LEU H 2 32 VAL H 4.500 . 5.000 4.762 4.610 4.883 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1097 1 24 LEU MD1 1 33 ILE HA 4.500 . 5.000 2.889 2.088 3.564 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1098 2 24 LEU MD1 2 33 ILE HA 4.500 . 5.000 2.889 2.088 3.564 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1099 1 24 LEU HG 1 33 ILE HA 3.000 . 3.500 3.151 2.619 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1100 2 24 LEU HG 2 33 ILE HA 3.000 . 3.500 3.151 2.619 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1101 1 24 LEU H 1 33 ILE HA 3.000 . 3.500 3.200 2.906 3.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1102 2 24 LEU H 2 33 ILE HA 3.000 . 3.500 3.200 2.909 3.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1103 1 24 LEU H 1 34 GLN H 4.500 . 5.000 4.947 4.562 5.028 0.028 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
1104 2 24 LEU H 2 34 GLN H 4.500 . 5.000 4.947 4.562 5.028 0.028 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
1105 1 24 LEU MD1 1 39 ILE MD 4.500 . 5.000 2.312 1.922 3.635 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1106 2 24 LEU MD1 2 39 ILE MD 4.500 . 5.000 2.312 1.922 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1107 1 24 LEU MD1 1 39 ILE MG 3.000 . 3.500 1.896 1.738 2.523 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1108 2 24 LEU MD1 2 39 ILE MG 3.000 . 3.500 1.896 1.737 2.523 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1109 1 24 LEU MD1 1 41 VAL QG 6.000 . 6.500 4.951 4.579 5.208 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1110 2 24 LEU MD1 2 41 VAL QG 6.000 . 6.500 4.951 4.579 5.208 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1111 1 25 TRP H 1 25 TRP HA 3.000 . 3.500 2.908 2.875 2.930 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1112 2 25 TRP H 2 25 TRP HA 3.000 . 3.500 2.908 2.876 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1113 1 25 TRP HA 1 26 LYS H 2.100 . 2.600 2.190 2.137 2.289 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1114 2 25 TRP HA 2 26 LYS H 2.100 . 2.600 2.190 2.136 2.289 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1115 1 25 TRP QB 1 26 LYS H 4.500 . 5.000 3.615 3.420 3.765 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1116 2 25 TRP QB 2 26 LYS H 4.500 . 5.000 3.616 3.420 3.765 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1117 1 25 TRP HD1 1 26 LYS H 4.500 . 5.000 3.727 3.260 4.199 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1118 2 25 TRP HD1 2 26 LYS H 4.500 . 5.000 3.726 3.261 4.204 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1119 1 25 TRP HE3 1 26 LYS HA 4.500 . 5.000 3.634 3.101 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1120 2 25 TRP HE3 2 26 LYS HA 4.500 . 5.000 3.634 3.103 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1121 1 25 TRP HE3 1 26 LYS H 4.500 . 5.000 4.417 4.107 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1122 2 25 TRP HE3 2 26 LYS H 4.500 . 5.000 4.418 4.109 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1123 1 25 TRP H 1 26 LYS QB 3.960 . 4.460 4.404 4.259 4.475 0.015 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
1124 2 25 TRP H 2 26 LYS QB 3.960 . 4.460 4.404 4.260 4.476 0.016 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
1125 1 25 TRP HZ3 1 26 LYS HA 4.500 . 5.000 4.438 3.695 4.848 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1126 2 25 TRP HZ3 2 26 LYS HA 4.500 . 5.000 4.438 3.698 4.848 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1127 1 25 TRP HE1 1 27 GLY QA 4.500 . 5.000 4.040 3.619 4.432 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1128 2 25 TRP HE1 2 27 GLY QA 4.500 . 5.000 4.040 3.619 4.432 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1129 1 25 TRP HH2 1 27 GLY QA 3.000 . 3.500 3.402 3.258 3.534 0.034 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
1130 2 25 TRP HH2 2 27 GLY QA 3.000 . 3.500 3.402 3.254 3.531 0.031 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
1131 1 25 TRP HZ2 1 27 GLY QA 2.620 . 3.120 2.840 2.392 3.168 0.048 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1132 2 25 TRP HZ2 2 27 GLY QA 2.620 . 3.120 2.840 2.385 3.174 0.054 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1133 1 25 TRP HZ3 1 27 GLY QA 3.960 . 4.460 4.513 4.398 4.542 0.082 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
1134 2 25 TRP HZ3 2 27 GLY QA 3.960 . 4.460 4.513 4.398 4.542 0.082 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
1135 1 25 TRP HZ3 1 27 GLY H 3.000 . 3.500 3.404 3.059 3.530 0.030 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
1136 2 25 TRP HZ3 2 27 GLY H 3.000 . 3.500 3.404 3.061 3.530 0.030 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
1137 1 25 TRP HH2 1 28 GLU HA 6.000 . 6.500 4.533 4.367 4.777 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1138 2 25 TRP HH2 2 28 GLU HA 6.000 . 6.500 4.533 4.368 4.784 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1139 1 25 TRP HH2 1 28 GLU QB 3.960 . 4.460 2.653 2.462 3.046 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1140 2 25 TRP HH2 2 28 GLU QB 3.960 . 4.460 2.653 2.461 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1141 1 25 TRP HH2 1 28 GLU QG 3.000 . 3.500 2.424 2.010 2.907 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1142 2 25 TRP HH2 2 28 GLU QG 3.000 . 3.500 2.424 2.010 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1143 1 25 TRP HH2 1 28 GLU H 4.500 . 5.000 2.044 1.973 2.290 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1144 2 25 TRP HH2 2 28 GLU H 4.500 . 5.000 2.044 1.975 2.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1145 1 25 TRP HZ2 1 28 GLU QB 3.960 . 4.460 4.509 4.468 4.573 0.113 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
1146 2 25 TRP HZ2 2 28 GLU QB 3.960 . 4.460 4.509 4.470 4.572 0.112 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
1147 1 25 TRP HZ2 1 28 GLU QG 4.500 . 5.000 3.262 2.879 4.351 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1148 2 25 TRP HZ2 2 28 GLU QG 4.500 . 5.000 3.262 2.877 4.350 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1149 1 25 TRP HZ3 1 28 GLU HA 6.000 . 6.500 5.880 5.497 6.077 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1150 2 25 TRP HZ3 2 28 GLU HA 6.000 . 6.500 5.880 5.497 6.079 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1151 1 25 TRP HZ3 1 28 GLU QB 3.960 . 4.460 3.920 3.341 4.492 0.032 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
1152 2 25 TRP HZ3 2 28 GLU QB 3.960 . 4.460 3.920 3.341 4.492 0.032 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
1153 1 25 TRP HZ3 1 28 GLU QG 4.500 . 5.000 4.301 2.639 4.900 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1154 2 25 TRP HZ3 2 28 GLU QG 4.500 . 5.000 4.301 2.639 4.899 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1155 1 25 TRP HZ3 1 28 GLU H 4.500 . 5.000 3.572 3.088 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1156 2 25 TRP HZ3 2 28 GLU H 4.500 . 5.000 3.572 3.090 3.810 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1157 1 25 TRP HZ3 1 30 ALA MB 3.000 . 3.500 2.674 2.147 3.309 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1158 2 25 TRP HZ3 2 30 ALA MB 3.000 . 3.500 2.673 2.146 3.308 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1159 1 25 TRP HZ3 1 30 ALA H 4.500 . 5.000 3.684 3.277 3.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1160 2 25 TRP HZ3 2 30 ALA H 4.500 . 5.000 3.685 3.278 3.948 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1161 1 25 TRP QB 1 31 VAL HA 4.500 . 5.000 4.372 3.996 5.028 0.028 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1162 2 25 TRP QB 2 31 VAL HA 4.500 . 5.000 4.372 3.998 5.025 0.025 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1163 1 25 TRP HZ3 1 31 VAL HA 6.000 . 6.500 3.778 3.307 4.195 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1164 2 25 TRP HZ3 2 31 VAL HA 6.000 . 6.500 3.779 3.307 4.193 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1165 1 25 TRP QB 1 32 VAL H 4.500 . 5.000 2.807 2.437 3.409 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1166 2 25 TRP QB 2 32 VAL H 4.500 . 5.000 2.807 2.438 3.408 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1167 1 25 TRP HE3 1 32 VAL H 4.500 . 5.000 2.302 2.029 2.570 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1168 2 25 TRP HE3 2 32 VAL H 4.500 . 5.000 2.302 2.028 2.574 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1169 1 25 TRP H 1 32 VAL HB 3.000 . 3.500 2.656 2.469 2.896 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1170 2 25 TRP H 2 32 VAL HB 3.000 . 3.500 2.656 2.470 2.896 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1171 1 25 TRP H 1 32 VAL MG1 4.500 . 5.000 3.824 3.658 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1172 2 25 TRP H 2 32 VAL MG1 4.500 . 5.000 3.824 3.661 4.064 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1173 1 25 TRP H 1 32 VAL MG2 4.500 . 5.000 4.053 3.887 4.289 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1174 2 25 TRP H 2 32 VAL MG2 4.500 . 5.000 4.052 3.885 4.289 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1175 1 25 TRP H 1 32 VAL H 3.500 . 4.000 3.297 3.106 3.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1176 2 25 TRP H 2 32 VAL H 3.500 . 4.000 3.297 3.107 3.463 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1177 1 25 TRP HZ3 1 32 VAL MG2 3.000 . 3.500 3.480 3.157 3.572 0.072 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
1178 2 25 TRP HZ3 2 32 VAL MG2 3.000 . 3.500 3.480 3.155 3.570 0.070 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
1179 1 25 TRP HZ3 1 32 VAL H 6.000 . 6.500 4.238 3.861 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1180 2 25 TRP HZ3 2 32 VAL H 6.000 . 6.500 4.239 3.860 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1181 1 25 TRP H 1 33 ILE HA 4.500 . 5.000 4.292 4.137 4.427 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1182 2 25 TRP H 2 33 ILE HA 4.500 . 5.000 4.292 4.138 4.428 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1183 1 25 TRP H 1 33 ILE MG 3.500 . 4.000 3.857 3.686 4.005 0.005 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1184 2 25 TRP H 2 33 ILE MG 3.500 . 4.000 3.857 3.686 4.004 0.004 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1185 1 25 TRP HZ3 1 41 VAL QG 4.500 . 5.000 3.648 3.171 3.897 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1186 2 25 TRP HZ3 2 41 VAL QG 4.500 . 5.000 3.648 3.171 3.898 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1187 1 26 LYS HA 1 26 LYS QG 3.000 . 3.500 2.521 2.230 3.345 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1188 2 26 LYS HA 2 26 LYS QG 3.000 . 3.500 2.521 2.231 3.345 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1189 1 26 LYS H 1 26 LYS HA 3.000 . 3.500 2.910 2.870 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1190 2 26 LYS H 2 26 LYS HA 3.000 . 3.500 2.910 2.871 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1191 1 26 LYS H 1 26 LYS QB 2.620 . 3.120 2.753 2.593 3.091 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1192 2 26 LYS H 2 26 LYS QB 2.620 . 3.120 2.753 2.594 3.089 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1193 1 26 LYS QD 1 26 LYS QE 2.100 . 2.600 2.048 1.975 2.091 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1194 2 26 LYS QD 2 26 LYS QE 2.100 . 2.600 2.048 1.975 2.091 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1195 1 26 LYS QE 1 26 LYS QG 2.620 . 3.120 2.210 2.000 2.840 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1196 2 26 LYS QE 2 26 LYS QG 2.620 . 3.120 2.209 2.001 2.843 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1197 1 26 LYS H 1 26 LYS QG 3.960 . 4.460 3.969 2.348 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1198 2 26 LYS H 2 26 LYS QG 3.960 . 4.460 3.969 2.347 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1199 1 26 LYS HA 1 27 GLY H 2.100 . 2.600 2.198 2.137 2.286 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1200 2 26 LYS HA 2 27 GLY H 2.100 . 2.600 2.198 2.140 2.287 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1201 1 26 LYS QB 1 27 GLY H 3.960 . 4.460 3.904 3.275 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1202 2 26 LYS QB 2 27 GLY H 3.960 . 4.460 3.904 3.279 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1203 1 26 LYS QG 1 27 GLY H 3.500 . 4.000 3.439 2.982 4.074 0.074 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
1204 2 26 LYS QG 2 27 GLY H 3.500 . 4.000 3.439 2.981 4.074 0.074 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
1205 1 26 LYS H 1 27 GLY H 4.500 . 5.000 3.792 3.406 4.178 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1206 2 26 LYS H 2 27 GLY H 4.500 . 5.000 3.792 3.408 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1207 1 26 LYS HA 1 31 VAL HA 3.000 . 3.500 2.715 2.475 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1208 2 26 LYS HA 2 31 VAL HA 3.000 . 3.500 2.715 2.474 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1209 1 26 LYS HA 1 31 VAL MG1 3.000 . 3.500 2.218 1.972 2.843 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1210 2 26 LYS HA 2 31 VAL MG1 3.000 . 3.500 2.218 1.972 2.842 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1211 1 26 LYS HA 1 31 VAL MG2 4.500 . 5.000 4.802 4.630 5.011 0.011 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
1212 2 26 LYS HA 2 31 VAL MG2 4.500 . 5.000 4.802 4.631 5.010 0.010 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
1213 1 26 LYS HA 1 31 VAL H 6.000 . 6.500 5.327 5.056 5.652 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1214 2 26 LYS HA 2 31 VAL H 6.000 . 6.500 5.327 5.058 5.652 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1215 1 26 LYS QB 1 31 VAL HA 6.000 . 6.500 4.031 3.447 4.578 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1216 2 26 LYS QB 2 31 VAL HA 6.000 . 6.500 4.031 3.449 4.578 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1217 1 26 LYS HA 1 32 VAL MG2 4.500 . 5.000 4.923 4.589 5.023 0.023 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
1218 2 26 LYS HA 2 32 VAL MG2 4.500 . 5.000 4.923 4.590 5.023 0.023 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1219 1 26 LYS HA 1 32 VAL H 4.500 . 5.000 3.806 3.393 3.991 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1220 2 26 LYS HA 2 32 VAL H 4.500 . 5.000 3.806 3.392 3.993 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1221 1 26 LYS QE 1 49 ILE MD 3.500 . 4.000 3.268 2.303 4.003 0.003 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1222 2 26 LYS QE 2 49 ILE MD 3.500 . 4.000 3.268 2.304 4.003 0.003 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1223 1 26 LYS QE 1 49 ILE QG 4.500 . 5.000 3.220 1.871 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1224 2 26 LYS QE 2 49 ILE QG 4.500 . 5.000 3.220 1.871 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1225 1 27 GLY H 1 27 GLY QA 2.620 . 3.120 2.413 2.343 2.479 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1226 2 27 GLY H 2 27 GLY QA 2.620 . 3.120 2.413 2.343 2.479 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1227 1 27 GLY QA 1 28 GLU H 1.820 . 2.320 2.249 2.181 2.370 0.050 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
1228 2 27 GLY QA 2 28 GLU H 1.820 . 2.320 2.248 2.181 2.371 0.051 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
1229 1 27 GLY H 1 28 GLU H 4.500 . 5.000 2.953 2.608 3.124 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1230 2 27 GLY H 2 28 GLU H 4.500 . 5.000 2.953 2.608 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1231 1 27 GLY QA 1 30 ALA H 5.300 . 5.800 5.226 5.061 5.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1232 2 27 GLY QA 2 30 ALA H 5.300 . 5.800 5.226 5.060 5.530 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1233 1 27 GLY H 1 30 ALA H 4.500 . 5.000 4.128 3.812 4.584 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1234 2 27 GLY H 2 30 ALA H 4.500 . 5.000 4.128 3.811 4.584 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1235 1 27 GLY H 1 31 VAL HA 4.500 . 5.000 3.811 3.712 3.891 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1236 2 27 GLY H 2 31 VAL HA 4.500 . 5.000 3.811 3.711 3.891 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1237 1 27 GLY H 1 31 VAL MG1 3.000 . 3.500 3.488 3.197 3.541 0.041 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
1238 2 27 GLY H 2 31 VAL MG1 3.000 . 3.500 3.488 3.199 3.541 0.041 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
1239 1 27 GLY H 1 31 VAL MG2 6.000 . 6.500 5.826 5.620 5.930 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1240 2 27 GLY H 2 31 VAL MG2 6.000 . 6.500 5.826 5.620 5.932 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1241 1 27 GLY H 1 32 VAL H 4.500 . 5.000 4.958 4.821 5.051 0.051 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
1242 2 27 GLY H 2 32 VAL H 4.500 . 5.000 4.958 4.820 5.053 0.053 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
1243 1 28 GLU H 1 28 GLU HA 2.500 . 3.000 2.845 2.797 2.904 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1244 2 28 GLU H 2 28 GLU HA 2.500 . 3.000 2.845 2.797 2.905 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1245 1 28 GLU H 1 28 GLU QB 2.500 . 3.000 2.506 2.450 2.559 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1246 2 28 GLU H 2 28 GLU QB 2.500 . 3.000 2.506 2.449 2.558 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1247 1 28 GLU H 1 28 GLU QG 2.100 . 2.600 2.131 1.962 2.453 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1248 2 28 GLU H 2 28 GLU QG 2.100 . 2.600 2.130 1.962 2.454 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1249 1 28 GLU QB 1 29 GLY H 3.500 . 4.000 1.907 1.878 2.033 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1250 2 28 GLU QB 2 29 GLY H 3.500 . 4.000 1.908 1.880 2.034 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1251 1 28 GLU QG 1 29 GLY H 3.500 . 4.000 3.813 2.686 4.006 0.006 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1252 2 28 GLU QG 2 29 GLY H 3.500 . 4.000 3.813 2.688 4.008 0.008 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1253 1 28 GLU HA 1 30 ALA H 4.500 . 5.000 4.448 4.273 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1254 2 28 GLU HA 2 30 ALA H 4.500 . 5.000 4.448 4.273 4.536 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1255 1 28 GLU QG 1 30 ALA H 6.000 . 6.500 4.745 2.655 5.301 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1256 2 28 GLU QG 2 30 ALA H 6.000 . 6.500 4.745 2.655 5.303 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1257 1 28 GLU H 1 30 ALA MB 4.500 . 5.000 4.796 4.572 5.005 0.005 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1258 2 28 GLU H 2 30 ALA MB 4.500 . 5.000 4.796 4.571 5.006 0.006 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1259 1 28 GLU H 1 30 ALA H 3.500 . 4.000 4.057 3.941 4.100 0.100 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
1260 2 28 GLU H 2 30 ALA H 3.500 . 4.000 4.057 3.940 4.104 0.104 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
1261 1 29 GLY H 1 29 GLY QA 2.500 . 3.000 2.232 2.215 2.244 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1262 2 29 GLY H 2 29 GLY QA 2.500 . 3.000 2.232 2.215 2.246 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1263 1 29 GLY QA 1 30 ALA H 3.000 . 3.500 2.662 2.549 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1264 2 29 GLY QA 2 30 ALA H 3.000 . 3.500 2.662 2.549 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1265 1 29 GLY H 1 30 ALA MB 3.500 . 4.000 4.023 3.978 4.056 0.056 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
1266 2 29 GLY H 2 30 ALA MB 3.500 . 4.000 4.022 3.978 4.056 0.056 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
1267 1 29 GLY H 1 30 ALA H 3.000 . 3.500 3.325 2.714 3.534 0.034 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
1268 2 29 GLY H 2 30 ALA H 3.000 . 3.500 3.325 2.715 3.534 0.034 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
1269 1 29 GLY H 1 44 ARG QB 4.500 . 5.000 5.008 4.832 5.058 0.058 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1270 2 29 GLY H 2 44 ARG QB 4.500 . 5.000 5.008 4.833 5.058 0.058 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1271 1 30 ALA HA 1 30 ALA MB 2.100 . 2.600 2.101 2.088 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1272 2 30 ALA HA 2 30 ALA MB 2.100 . 2.600 2.102 2.087 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1273 1 30 ALA H 1 30 ALA HA 3.000 . 3.500 2.855 2.808 2.942 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1274 2 30 ALA H 2 30 ALA HA 3.000 . 3.500 2.855 2.808 2.940 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1275 1 30 ALA H 1 30 ALA MB 3.000 . 3.500 2.760 2.373 2.892 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1276 2 30 ALA H 2 30 ALA MB 3.000 . 3.500 2.761 2.373 2.894 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1277 1 30 ALA HA 1 31 VAL MG1 4.500 . 5.000 3.958 3.645 4.300 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1278 2 30 ALA HA 2 31 VAL MG1 4.500 . 5.000 3.958 3.647 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1279 1 30 ALA HA 1 31 VAL MG2 4.500 . 5.000 3.581 3.374 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1280 2 30 ALA HA 2 31 VAL MG2 4.500 . 5.000 3.581 3.373 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1281 1 30 ALA HA 1 31 VAL H 2.100 . 2.600 2.212 2.149 2.331 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1282 2 30 ALA HA 2 31 VAL H 2.100 . 2.600 2.212 2.147 2.330 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1283 1 30 ALA MB 1 31 VAL H 3.000 . 3.500 3.077 2.682 3.559 0.059 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1284 2 30 ALA MB 2 31 VAL H 3.000 . 3.500 3.077 2.682 3.559 0.059 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1285 1 30 ALA H 1 31 VAL HA 4.500 . 5.000 4.521 4.144 4.921 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1286 2 30 ALA H 2 31 VAL HA 4.500 . 5.000 4.521 4.144 4.919 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1287 1 30 ALA H 1 31 VAL MG1 4.500 . 5.000 3.848 3.518 4.399 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1288 2 30 ALA H 2 31 VAL MG1 4.500 . 5.000 3.847 3.519 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1289 1 30 ALA H 1 31 VAL H 4.500 . 5.000 4.062 3.328 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1290 2 30 ALA H 2 31 VAL H 4.500 . 5.000 4.062 3.327 4.474 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1291 1 30 ALA HA 1 41 VAL QG 4.500 . 5.000 3.508 3.129 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1292 2 30 ALA HA 2 41 VAL QG 4.500 . 5.000 3.508 3.129 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1293 1 30 ALA MB 1 41 VAL MG1 2.500 . 3.000 2.045 1.871 2.254 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1294 2 30 ALA MB 2 41 VAL MG1 2.500 . 3.000 2.045 1.872 2.254 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1295 1 30 ALA MB 1 41 VAL MG2 4.500 . 5.000 4.099 3.927 4.359 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1296 2 30 ALA MB 2 41 VAL MG2 4.500 . 5.000 4.098 3.926 4.359 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1297 1 30 ALA HA 1 42 VAL H 4.500 . 5.000 4.402 3.978 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1298 2 30 ALA HA 2 42 VAL H 4.500 . 5.000 4.402 3.979 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1299 1 30 ALA MB 1 42 VAL H 4.500 . 5.000 4.045 3.774 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1300 2 30 ALA MB 2 42 VAL H 4.500 . 5.000 4.045 3.775 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1301 1 30 ALA HA 1 43 PRO QB 4.500 . 5.000 4.019 3.899 4.230 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1302 2 30 ALA HA 2 43 PRO QB 4.500 . 5.000 4.020 3.899 4.230 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1303 1 30 ALA HA 1 44 ARG HA 4.500 . 5.000 4.253 3.917 4.515 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1304 2 30 ALA HA 2 44 ARG HA 4.500 . 5.000 4.253 3.918 4.516 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1305 1 30 ALA HA 1 44 ARG QB 4.500 . 5.000 3.729 3.441 4.339 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1306 2 30 ALA HA 2 44 ARG QB 4.500 . 5.000 3.728 3.440 4.340 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1307 1 30 ALA HA 1 44 ARG H 2.100 . 2.600 2.456 2.165 2.645 0.045 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
1308 2 30 ALA HA 2 44 ARG H 2.100 . 2.600 2.456 2.163 2.647 0.047 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
1309 1 30 ALA H 1 44 ARG QB 4.500 . 5.000 3.266 2.836 4.074 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1310 2 30 ALA H 2 44 ARG QB 4.500 . 5.000 3.265 2.835 4.071 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1311 1 31 VAL HA 1 31 VAL HB 3.000 . 3.500 2.538 2.503 2.571 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1312 2 31 VAL HA 2 31 VAL HB 3.000 . 3.500 2.538 2.503 2.570 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1313 1 31 VAL HA 1 31 VAL MG1 2.100 . 2.600 2.180 2.091 2.311 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1314 2 31 VAL HA 2 31 VAL MG1 2.100 . 2.600 2.180 2.089 2.312 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1315 1 31 VAL HA 1 31 VAL MG2 3.000 . 3.500 3.188 3.181 3.196 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1316 2 31 VAL HA 2 31 VAL MG2 3.000 . 3.500 3.188 3.182 3.196 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1317 1 31 VAL H 1 31 VAL HA 3.000 . 3.500 2.939 2.854 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1318 2 31 VAL H 2 31 VAL HA 3.000 . 3.500 2.939 2.854 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1319 1 31 VAL HB 1 31 VAL MG1 2.100 . 2.600 2.113 2.085 2.129 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1320 2 31 VAL HB 2 31 VAL MG1 2.100 . 2.600 2.113 2.086 2.129 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1321 1 31 VAL H 1 31 VAL MG1 4.500 . 5.000 3.033 2.619 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1322 2 31 VAL H 2 31 VAL MG1 4.500 . 5.000 3.033 2.617 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1323 1 31 VAL H 1 31 VAL MG2 2.100 . 2.600 2.064 1.946 2.195 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1324 2 31 VAL H 2 31 VAL MG2 2.100 . 2.600 2.064 1.948 2.195 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1325 1 31 VAL HA 1 32 VAL H 3.000 . 3.500 2.128 2.112 2.153 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1326 2 31 VAL HA 2 32 VAL H 3.000 . 3.500 2.128 2.114 2.152 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1327 1 31 VAL HB 1 32 VAL H 3.000 . 3.500 3.433 3.134 3.527 0.027 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
1328 2 31 VAL HB 2 32 VAL H 3.000 . 3.500 3.433 3.135 3.526 0.026 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
1329 1 31 VAL MG1 1 32 VAL H 4.500 . 5.000 3.833 3.700 3.939 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1330 2 31 VAL MG1 2 32 VAL H 4.500 . 5.000 3.833 3.701 3.939 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1331 1 31 VAL MG2 1 32 VAL H 6.000 . 6.500 4.166 4.029 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1332 2 31 VAL MG2 2 32 VAL H 6.000 . 6.500 4.166 4.029 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1333 1 31 VAL HB 1 33 ILE HA 6.000 . 6.500 5.738 5.600 5.922 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1334 2 31 VAL HB 2 33 ILE HA 6.000 . 6.500 5.738 5.599 5.923 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1335 1 31 VAL MG1 1 33 ILE MD 6.000 . 6.500 6.373 6.168 6.516 0.016 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1336 2 31 VAL MG1 2 33 ILE MD 6.000 . 6.500 6.373 6.169 6.516 0.016 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1337 1 31 VAL MG2 1 33 ILE MD 4.500 . 5.000 4.467 4.169 4.697 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1338 2 31 VAL MG2 2 33 ILE MD 4.500 . 5.000 4.467 4.168 4.698 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1339 1 31 VAL H 1 41 VAL QG 4.500 . 5.000 3.112 2.661 3.715 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1340 2 31 VAL H 2 41 VAL QG 4.500 . 5.000 3.112 2.662 3.714 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1341 1 31 VAL MG1 1 42 VAL H 6.000 . 6.500 5.175 4.937 5.378 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1342 2 31 VAL MG1 2 42 VAL H 6.000 . 6.500 5.175 4.937 5.378 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1343 1 31 VAL MG2 1 42 VAL HA 4.500 . 5.000 4.607 4.253 4.854 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1344 2 31 VAL MG2 2 42 VAL HA 4.500 . 5.000 4.607 4.253 4.855 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1345 1 31 VAL MG2 1 42 VAL HB 3.000 . 3.500 2.944 2.592 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1346 2 31 VAL MG2 2 42 VAL HB 3.000 . 3.500 2.944 2.594 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1347 1 31 VAL MG2 1 42 VAL H 3.500 . 4.000 2.867 2.487 3.133 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1348 2 31 VAL MG2 2 42 VAL H 3.500 . 4.000 2.867 2.487 3.134 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1349 1 31 VAL H 1 42 VAL HB 4.500 . 5.000 4.235 3.995 4.614 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1350 2 31 VAL H 2 42 VAL HB 4.500 . 5.000 4.235 3.995 4.613 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1351 1 31 VAL H 1 42 VAL H 3.000 . 3.500 3.016 2.579 3.517 0.017 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
1352 2 31 VAL H 2 42 VAL H 3.000 . 3.500 3.016 2.580 3.518 0.018 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
1353 1 31 VAL MG1 1 44 ARG HA 4.500 . 5.000 2.886 2.539 3.203 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1354 2 31 VAL MG1 2 44 ARG HA 4.500 . 5.000 2.886 2.537 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1355 1 31 VAL MG1 1 44 ARG QD 3.960 . 4.460 2.103 1.808 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1356 2 31 VAL MG1 2 44 ARG QD 3.960 . 4.460 2.103 1.808 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1357 1 31 VAL MG1 1 44 ARG H 3.500 . 4.000 3.984 3.789 4.035 0.035 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
1358 2 31 VAL MG1 2 44 ARG H 3.500 . 4.000 3.984 3.789 4.038 0.038 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
1359 1 31 VAL MG2 1 44 ARG HA 2.100 . 2.600 2.481 2.221 2.604 0.004 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
1360 2 31 VAL MG2 2 44 ARG HA 2.100 . 2.600 2.481 2.220 2.606 0.006 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
1361 1 31 VAL MG2 1 44 ARG QD 2.620 . 3.120 2.967 2.566 3.142 0.022 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
1362 2 31 VAL MG2 2 44 ARG QD 2.620 . 3.120 2.967 2.567 3.141 0.021 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
1363 1 31 VAL MG2 1 44 ARG H 4.500 . 5.000 3.823 3.370 4.165 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1364 2 31 VAL MG2 2 44 ARG H 4.500 . 5.000 3.822 3.369 4.166 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1365 1 31 VAL H 1 44 ARG HA 4.500 . 5.000 4.045 3.320 4.513 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1366 2 31 VAL H 2 44 ARG HA 4.500 . 5.000 4.045 3.324 4.512 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1367 1 31 VAL H 1 44 ARG QB 3.960 . 4.460 4.288 3.607 4.479 0.019 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
1368 2 31 VAL H 2 44 ARG QB 3.960 . 4.460 4.288 3.608 4.478 0.018 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
1369 1 31 VAL H 1 44 ARG H 4.500 . 5.000 3.736 3.156 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1370 2 31 VAL H 2 44 ARG H 4.500 . 5.000 3.736 3.155 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1371 1 31 VAL MG1 1 47 ALA MB 3.000 . 3.500 3.335 2.885 3.516 0.016 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
1372 2 31 VAL MG1 2 47 ALA MB 3.000 . 3.500 3.336 2.886 3.517 0.017 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
1373 1 31 VAL MG2 1 47 ALA HA 4.500 . 5.000 4.298 4.040 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1374 2 31 VAL MG2 2 47 ALA HA 4.500 . 5.000 4.298 4.039 4.472 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1375 1 31 VAL MG2 1 47 ALA MB 2.100 . 2.600 1.994 1.762 2.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1376 2 31 VAL MG2 2 47 ALA MB 2.100 . 2.600 1.994 1.761 2.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1377 1 31 VAL MG2 1 47 ALA H 4.500 . 5.000 4.398 4.003 4.607 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1378 2 31 VAL MG2 2 47 ALA H 4.500 . 5.000 4.398 4.005 4.607 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1379 1 32 VAL HA 1 32 VAL MG1 2.100 . 2.600 2.365 2.261 2.427 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1380 2 32 VAL HA 2 32 VAL MG1 2.100 . 2.600 2.365 2.257 2.427 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1381 1 32 VAL HA 1 32 VAL MG2 2.100 . 2.600 2.466 2.393 2.504 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1382 2 32 VAL HA 2 32 VAL MG2 2.100 . 2.600 2.466 2.394 2.505 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1383 1 32 VAL H 1 32 VAL MG2 3.000 . 3.500 2.151 2.020 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1384 2 32 VAL H 2 32 VAL MG2 3.000 . 3.500 2.151 2.021 2.467 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1385 1 32 VAL HA 1 33 ILE H 3.000 . 3.500 2.171 2.144 2.209 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1386 2 32 VAL HA 2 33 ILE H 3.000 . 3.500 2.171 2.146 2.209 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1387 1 32 VAL HB 1 33 ILE H 4.500 . 5.000 4.114 3.980 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1388 2 32 VAL HB 2 33 ILE H 4.500 . 5.000 4.114 3.983 4.227 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1389 1 32 VAL HA 1 41 VAL HA 2.100 . 2.600 2.233 2.091 2.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1390 2 32 VAL HA 2 41 VAL HA 2.100 . 2.600 2.233 2.091 2.368 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1391 1 32 VAL HA 1 41 VAL QG 3.000 . 3.500 2.358 2.241 2.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1392 2 32 VAL HA 2 41 VAL QG 3.000 . 3.500 2.358 2.242 2.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1393 1 32 VAL HA 1 41 VAL H 4.500 . 5.000 4.699 4.503 4.862 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1394 2 32 VAL HA 2 41 VAL H 4.500 . 5.000 4.699 4.503 4.863 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1395 1 32 VAL MG1 1 41 VAL HA 3.500 . 4.000 3.754 3.519 3.990 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1396 2 32 VAL MG1 2 41 VAL HA 3.500 . 4.000 3.754 3.514 3.983 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1397 1 32 VAL MG2 1 41 VAL HA 3.000 . 3.500 3.508 3.423 3.544 0.044 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
1398 2 32 VAL MG2 2 41 VAL HA 3.000 . 3.500 3.508 3.423 3.546 0.046 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
1399 1 32 VAL HA 1 42 VAL H 4.500 . 5.000 3.679 3.561 3.823 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1400 2 32 VAL HA 2 42 VAL H 4.500 . 5.000 3.679 3.562 3.822 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1401 1 32 VAL MG2 1 42 VAL H 4.500 . 5.000 4.645 4.483 4.809 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1402 2 32 VAL MG2 2 42 VAL H 4.500 . 5.000 4.645 4.484 4.808 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1403 1 33 ILE HA 1 33 ILE HB 2.100 . 2.600 2.565 2.541 2.594 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1404 2 33 ILE HA 2 33 ILE HB 2.100 . 2.600 2.565 2.541 2.595 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1405 1 33 ILE HA 1 33 ILE MD 4.500 . 5.000 3.883 3.790 3.976 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1406 2 33 ILE HA 2 33 ILE MD 4.500 . 5.000 3.883 3.789 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1407 1 33 ILE HB 1 33 ILE MD 3.000 . 3.500 2.119 1.996 2.183 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1408 2 33 ILE HB 2 33 ILE MD 3.000 . 3.500 2.119 1.997 2.184 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1409 1 33 ILE MD 1 33 ILE QG 2.100 . 2.600 1.858 1.842 1.873 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1410 2 33 ILE MD 2 33 ILE QG 2.100 . 2.600 1.858 1.842 1.872 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1411 1 33 ILE H 1 33 ILE MD 3.000 . 3.500 3.471 3.227 3.581 0.081 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
1412 2 33 ILE H 2 33 ILE MD 3.000 . 3.500 3.471 3.227 3.581 0.081 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
1413 1 33 ILE H 1 33 ILE QG 3.000 . 3.500 2.040 1.938 2.198 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1414 2 33 ILE H 2 33 ILE QG 3.000 . 3.500 2.040 1.938 2.199 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1415 1 33 ILE HA 1 34 GLN H 2.100 . 2.600 2.303 2.185 2.432 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1416 2 33 ILE HA 2 34 GLN H 2.100 . 2.600 2.303 2.184 2.431 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1417 1 33 ILE HB 1 34 GLN H 3.500 . 4.000 2.575 2.248 2.986 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1418 2 33 ILE HB 2 34 GLN H 3.500 . 4.000 2.575 2.246 2.987 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1419 1 33 ILE QG 1 34 GLN H 4.500 . 5.000 4.298 4.102 4.483 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1420 2 33 ILE QG 2 34 GLN H 4.500 . 5.000 4.298 4.101 4.483 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1421 1 33 ILE H 1 34 GLN H 4.500 . 5.000 4.390 4.301 4.433 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1422 2 33 ILE H 2 34 GLN H 4.500 . 5.000 4.390 4.301 4.433 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1423 1 33 ILE MD 1 35 ASP QB 3.960 . 4.460 3.521 3.332 3.681 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1424 2 33 ILE MD 2 35 ASP QB 3.960 . 4.460 3.521 3.332 3.681 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1425 1 33 ILE MD 1 35 ASP H 4.500 . 5.000 3.865 3.673 4.185 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1426 2 33 ILE MD 2 35 ASP H 4.500 . 5.000 3.865 3.673 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1427 1 33 ILE H 1 39 ILE MG 3.500 . 4.000 3.117 2.850 3.378 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1428 2 33 ILE H 2 39 ILE MG 3.500 . 4.000 3.117 2.850 3.378 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1429 1 33 ILE HB 1 40 LYS H 6.000 . 6.500 5.092 4.913 5.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1430 2 33 ILE HB 2 40 LYS H 6.000 . 6.500 5.092 4.914 5.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1431 1 33 ILE MD 1 40 LYS QB 3.000 . 3.500 2.760 2.383 3.527 0.027 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
1432 2 33 ILE MD 2 40 LYS QB 3.000 . 3.500 2.760 2.385 3.526 0.026 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
1433 1 33 ILE MD 1 40 LYS QD 3.000 . 3.500 3.316 2.287 3.517 0.017 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
1434 2 33 ILE MD 2 40 LYS QD 3.000 . 3.500 3.316 2.287 3.517 0.017 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
1435 1 33 ILE MD 1 40 LYS QE 4.500 . 5.000 4.692 3.789 5.015 0.015 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1436 2 33 ILE MD 2 40 LYS QE 4.500 . 5.000 4.692 3.788 5.016 0.016 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1437 1 33 ILE MD 1 40 LYS QG 4.500 . 5.000 4.167 1.884 4.505 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1438 2 33 ILE MD 2 40 LYS QG 4.500 . 5.000 4.167 1.884 4.504 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1439 1 33 ILE MD 1 40 LYS H 4.500 . 5.000 3.747 3.252 4.015 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1440 2 33 ILE MD 2 40 LYS H 4.500 . 5.000 3.747 3.251 4.015 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1441 1 33 ILE H 1 40 LYS QB 4.500 . 5.000 4.044 3.832 4.624 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1442 2 33 ILE H 2 40 LYS QB 4.500 . 5.000 4.044 3.832 4.624 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1443 1 33 ILE H 1 40 LYS H 4.500 . 5.000 3.162 3.025 3.373 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1444 2 33 ILE H 2 40 LYS H 4.500 . 5.000 3.162 3.026 3.373 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1445 1 33 ILE MD 1 41 VAL H 4.500 . 5.000 5.020 4.922 5.042 0.042 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
1446 2 33 ILE MD 2 41 VAL H 4.500 . 5.000 5.019 4.922 5.044 0.044 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
1447 1 33 ILE H 1 41 VAL HA 4.500 . 5.000 3.195 3.002 3.387 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1448 2 33 ILE H 2 41 VAL HA 4.500 . 5.000 3.195 3.001 3.388 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1449 1 33 ILE H 1 41 VAL QG 4.500 . 5.000 3.520 3.377 3.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1450 2 33 ILE H 2 41 VAL QG 4.500 . 5.000 3.520 3.377 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1451 1 33 ILE MD 1 42 VAL MG1 4.500 . 5.000 4.776 4.352 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1452 2 33 ILE MD 2 42 VAL MG1 4.500 . 5.000 4.776 4.353 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1453 1 33 ILE MD 1 42 VAL MG2 3.500 . 4.000 2.806 2.560 3.042 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1454 2 33 ILE MD 2 42 VAL MG2 3.500 . 4.000 2.806 2.560 3.042 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1455 1 33 ILE QG 1 42 VAL H 4.500 . 5.000 3.733 3.510 3.962 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1456 2 33 ILE QG 2 42 VAL H 4.500 . 5.000 3.733 3.510 3.962 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1457 1 33 ILE H 1 42 VAL H 4.500 . 5.000 4.546 4.266 4.724 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1458 2 33 ILE H 2 42 VAL H 4.500 . 5.000 4.546 4.264 4.724 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1459 1 33 ILE MD 1 47 ALA MB 4.500 . 5.000 4.737 4.498 4.901 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1460 2 33 ILE MD 2 47 ALA MB 4.500 . 5.000 4.737 4.497 4.900 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1461 1 34 GLN HA 1 34 GLN QB 2.100 . 2.600 2.372 2.299 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1462 2 34 GLN HA 2 34 GLN QB 2.100 . 2.600 2.372 2.299 2.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1463 1 34 GLN HA 1 34 GLN QE 3.960 . 4.460 3.774 3.254 4.284 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1464 2 34 GLN HA 2 34 GLN QE 3.960 . 4.460 3.774 3.254 4.285 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1465 1 34 GLN QB 1 34 GLN QE 2.620 . 3.120 2.711 1.967 3.131 0.011 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1466 2 34 GLN QB 2 34 GLN QE 2.620 . 3.120 2.711 1.967 3.129 0.009 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
1467 1 34 GLN HA 1 35 ASP H 2.100 . 2.600 2.151 2.141 2.166 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1468 2 34 GLN HA 2 35 ASP H 2.100 . 2.600 2.151 2.139 2.166 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1469 1 34 GLN QB 1 35 ASP H 4.500 . 5.000 3.744 3.276 3.863 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1470 2 34 GLN QB 2 35 ASP H 4.500 . 5.000 3.744 3.275 3.864 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1471 1 34 GLN H 1 35 ASP H 4.500 . 5.000 4.366 4.277 4.426 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1472 2 34 GLN H 2 35 ASP H 4.500 . 5.000 4.365 4.277 4.428 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1473 1 34 GLN QE 1 37 SER HA 3.960 . 4.460 3.771 3.097 4.469 0.009 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
1474 2 34 GLN QE 2 37 SER HA 3.960 . 4.460 3.771 3.095 4.469 0.009 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
1475 1 34 GLN HA 1 38 ASP H 4.500 . 5.000 5.012 4.899 5.044 0.044 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
1476 2 34 GLN HA 2 38 ASP H 4.500 . 5.000 5.012 4.898 5.042 0.042 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
1477 1 34 GLN QE 1 38 ASP H 4.500 . 5.000 4.205 3.417 5.016 0.016 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
1478 2 34 GLN QE 2 38 ASP H 4.500 . 5.000 4.205 3.417 5.016 0.016 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
1479 1 34 GLN HA 1 39 ILE HA 3.000 . 3.500 2.269 2.088 2.527 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1480 2 34 GLN HA 2 39 ILE HA 3.000 . 3.500 2.269 2.089 2.527 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1481 1 34 GLN HA 1 39 ILE MD 4.500 . 5.000 4.950 4.660 5.030 0.030 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
1482 2 34 GLN HA 2 39 ILE MD 4.500 . 5.000 4.950 4.661 5.030 0.030 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
1483 1 34 GLN HA 1 39 ILE QG 4.500 . 5.000 3.510 3.136 3.676 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1484 2 34 GLN HA 2 39 ILE QG 4.500 . 5.000 3.510 3.137 3.674 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1485 1 34 GLN HA 1 39 ILE MG 4.500 . 5.000 3.286 3.075 3.481 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1486 2 34 GLN HA 2 39 ILE MG 4.500 . 5.000 3.286 3.077 3.478 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1487 1 34 GLN QB 1 39 ILE QG 4.500 . 5.000 2.737 2.140 4.048 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1488 2 34 GLN QB 2 39 ILE QG 4.500 . 5.000 2.737 2.140 4.047 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1489 1 34 GLN QE 1 39 ILE HB 3.960 . 4.460 4.377 4.103 4.510 0.050 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1490 2 34 GLN QE 2 39 ILE HB 3.960 . 4.460 4.377 4.103 4.508 0.048 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1491 1 34 GLN QE 1 39 ILE MD 3.960 . 4.460 2.837 2.038 3.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1492 2 34 GLN QE 2 39 ILE MD 3.960 . 4.460 2.837 2.038 3.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1493 1 34 GLN QE 1 39 ILE QG 4.500 . 5.000 1.928 1.811 2.161 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1494 2 34 GLN QE 2 39 ILE QG 4.500 . 5.000 1.928 1.811 2.160 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1495 1 34 GLN QE 1 39 ILE MG 3.500 . 4.000 3.888 3.664 4.024 0.024 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
1496 2 34 GLN QE 2 39 ILE MG 3.500 . 4.000 3.888 3.664 4.023 0.023 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
1497 1 34 GLN HA 1 40 LYS H 4.500 . 5.000 3.077 2.826 3.478 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1498 2 34 GLN HA 2 40 LYS H 4.500 . 5.000 3.077 2.826 3.478 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1499 1 35 ASP HA 1 35 ASP QB 2.100 . 2.600 2.385 2.357 2.458 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1500 2 35 ASP HA 2 35 ASP QB 2.100 . 2.600 2.385 2.355 2.458 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1501 1 35 ASP H 1 35 ASP QB 2.620 . 3.120 2.290 2.252 2.323 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1502 2 35 ASP H 2 35 ASP QB 2.620 . 3.120 2.290 2.252 2.321 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1503 1 35 ASP HA 1 36 ASN QB 6.000 . 6.500 4.539 4.321 5.333 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1504 2 35 ASP HA 2 36 ASN QB 6.000 . 6.500 4.539 4.320 5.331 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1505 1 35 ASP HA 1 36 ASN H 3.000 . 3.500 3.480 3.458 3.509 0.009 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
1506 2 35 ASP HA 2 36 ASN H 3.000 . 3.500 3.480 3.458 3.507 0.007 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
1507 1 35 ASP QB 1 36 ASN H 2.620 . 3.120 2.847 2.693 2.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1508 2 35 ASP QB 2 36 ASN H 2.620 . 3.120 2.847 2.693 2.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1509 1 35 ASP H 1 36 ASN H 3.000 . 3.500 2.400 2.290 2.431 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1510 2 35 ASP H 2 36 ASN H 3.000 . 3.500 2.400 2.287 2.433 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1511 1 35 ASP HA 1 37 SER H 6.000 . 6.500 6.024 5.882 6.199 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1512 2 35 ASP HA 2 37 SER H 6.000 . 6.500 6.024 5.883 6.198 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1513 1 35 ASP QB 1 38 ASP H 4.500 . 5.000 4.118 3.805 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1514 2 35 ASP QB 2 38 ASP H 4.500 . 5.000 4.119 3.805 4.509 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1515 1 35 ASP H 1 38 ASP QB 3.960 . 4.460 4.477 4.366 4.525 0.065 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
1516 2 35 ASP H 2 38 ASP QB 3.960 . 4.460 4.476 4.366 4.524 0.064 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
1517 1 35 ASP H 1 38 ASP H 4.500 . 5.000 4.140 3.941 4.341 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1518 2 35 ASP H 2 38 ASP H 4.500 . 5.000 4.140 3.942 4.341 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1519 1 35 ASP H 1 39 ILE HA 3.500 . 4.000 3.645 3.472 3.778 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1520 2 35 ASP H 2 39 ILE HA 3.500 . 4.000 3.645 3.472 3.776 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1521 1 35 ASP H 1 39 ILE MG 4.500 . 5.000 4.986 4.834 5.035 0.035 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
1522 2 35 ASP H 2 39 ILE MG 4.500 . 5.000 4.986 4.833 5.034 0.034 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
1523 1 35 ASP H 1 39 ILE H 6.000 . 6.500 5.530 5.340 5.691 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1524 2 35 ASP H 2 39 ILE H 6.000 . 6.500 5.530 5.340 5.690 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1525 1 35 ASP QB 1 40 LYS QE 4.500 . 5.000 2.607 1.898 3.666 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1526 2 35 ASP QB 2 40 LYS QE 4.500 . 5.000 2.608 1.897 3.666 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1527 1 35 ASP H 1 40 LYS QB 6.000 . 6.500 4.640 4.032 5.205 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1528 2 35 ASP H 2 40 LYS QB 6.000 . 6.500 4.640 4.032 5.204 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1529 1 35 ASP H 1 40 LYS H 4.500 . 5.000 4.069 3.777 4.297 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1530 2 35 ASP H 2 40 LYS H 4.500 . 5.000 4.069 3.778 4.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1531 1 36 ASN HA 1 36 ASN QB 2.100 . 2.600 2.392 2.188 2.544 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1532 2 36 ASN HA 2 36 ASN QB 2.100 . 2.600 2.392 2.189 2.544 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1533 1 36 ASN HA 1 36 ASN QD 3.960 . 4.460 3.172 1.982 4.104 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1534 2 36 ASN HA 2 36 ASN QD 3.960 . 4.460 3.172 1.983 4.105 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1535 1 36 ASN H 1 36 ASN HA 3.000 . 3.500 2.827 2.795 2.881 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1536 2 36 ASN H 2 36 ASN HA 3.000 . 3.500 2.827 2.795 2.881 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1537 1 36 ASN QB 1 36 ASN QD 2.100 . 2.600 2.269 2.065 2.568 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1538 2 36 ASN QB 2 36 ASN QD 2.100 . 2.600 2.270 2.065 2.569 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1539 1 36 ASN H 1 36 ASN QB 3.000 . 3.500 2.950 2.799 3.267 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1540 2 36 ASN H 2 36 ASN QB 3.000 . 3.500 2.950 2.798 3.267 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1541 1 36 ASN H 1 36 ASN QD 4.500 . 5.000 4.509 2.309 5.017 0.017 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
1542 2 36 ASN H 2 36 ASN QD 4.500 . 5.000 4.509 2.305 5.016 0.016 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
1543 1 36 ASN HA 1 37 SER H 3.000 . 3.500 3.543 3.530 3.552 0.052 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
1544 2 36 ASN HA 2 37 SER H 3.000 . 3.500 3.543 3.532 3.552 0.052 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
1545 1 36 ASN QB 1 37 SER HA 4.500 . 5.000 4.246 3.971 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1546 2 36 ASN QB 2 37 SER HA 4.500 . 5.000 4.246 3.970 4.474 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1547 1 36 ASN QB 1 37 SER QB 4.500 . 5.000 3.648 3.036 4.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1548 2 36 ASN QB 2 37 SER QB 4.500 . 5.000 3.648 3.036 4.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1549 1 36 ASN QB 1 37 SER H 2.100 . 2.600 1.944 1.886 2.021 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1550 2 36 ASN QB 2 37 SER H 2.100 . 2.600 1.943 1.887 2.020 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1551 1 36 ASN QD 1 37 SER HA 4.500 . 5.000 4.560 3.289 5.044 0.044 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
1552 2 36 ASN QD 2 37 SER HA 4.500 . 5.000 4.560 3.289 5.042 0.042 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
1553 1 36 ASN QD 1 37 SER H 5.300 . 5.800 3.313 2.261 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1554 2 36 ASN QD 2 37 SER H 5.300 . 5.800 3.313 2.260 4.254 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1555 1 36 ASN H 1 37 SER H 4.500 . 5.000 2.817 2.651 2.949 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1556 2 36 ASN H 2 37 SER H 4.500 . 5.000 2.817 2.652 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1557 1 36 ASN HA 1 38 ASP H 4.500 . 5.000 4.932 4.814 5.046 0.046 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
1558 2 36 ASN HA 2 38 ASP H 4.500 . 5.000 4.933 4.814 5.047 0.047 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
1559 1 36 ASN QB 1 38 ASP H 3.000 . 3.500 3.540 3.393 3.636 0.136 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
1560 2 36 ASN QB 2 38 ASP H 3.000 . 3.500 3.540 3.392 3.637 0.137 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
1561 1 36 ASN H 1 38 ASP H 4.500 . 5.000 3.011 2.860 3.129 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1562 2 36 ASN H 2 38 ASP H 4.500 . 5.000 3.011 2.859 3.129 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1563 1 37 SER H 1 37 SER HA 3.000 . 3.500 2.944 2.939 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1564 2 37 SER H 2 37 SER HA 3.000 . 3.500 2.944 2.939 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1565 1 37 SER H 1 37 SER QB 2.620 . 3.120 2.675 2.358 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1566 2 37 SER H 2 37 SER QB 2.620 . 3.120 2.675 2.357 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1567 1 37 SER HA 1 38 ASP H 3.000 . 3.500 3.448 3.394 3.478 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1568 2 37 SER HA 2 38 ASP H 3.000 . 3.500 3.448 3.394 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1569 1 37 SER QB 1 38 ASP H 3.960 . 4.460 3.218 2.912 3.692 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1570 2 37 SER QB 2 38 ASP H 3.960 . 4.460 3.218 2.913 3.690 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1571 1 37 SER H 1 38 ASP QB 4.500 . 5.000 3.949 3.742 4.260 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1572 2 37 SER H 2 38 ASP QB 4.500 . 5.000 3.949 3.742 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1573 1 37 SER H 1 38 ASP H 3.000 . 3.500 1.961 1.875 2.001 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1574 2 37 SER H 2 38 ASP H 3.000 . 3.500 1.961 1.877 2.001 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1575 1 38 ASP H 1 38 ASP HA 2.500 . 3.000 2.939 2.918 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1576 2 38 ASP H 2 38 ASP HA 2.500 . 3.000 2.939 2.918 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1577 1 38 ASP H 1 38 ASP QB 2.500 . 3.000 2.381 2.197 2.620 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1578 2 38 ASP H 2 38 ASP QB 2.500 . 3.000 2.381 2.194 2.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1579 1 38 ASP HA 1 39 ILE H 3.500 . 4.000 2.304 2.163 2.647 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1580 2 38 ASP HA 2 39 ILE H 3.500 . 4.000 2.303 2.162 2.647 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1581 1 38 ASP QB 1 39 ILE H 3.500 . 4.000 2.720 1.973 3.222 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1582 2 38 ASP QB 2 39 ILE H 3.500 . 4.000 2.719 1.976 3.222 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1583 1 38 ASP H 1 39 ILE QG 4.500 . 5.000 4.976 4.862 5.053 0.053 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1584 2 38 ASP H 2 39 ILE QG 4.500 . 5.000 4.976 4.862 5.053 0.053 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1585 1 38 ASP H 1 39 ILE H 4.500 . 5.000 4.504 4.403 4.544 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1586 2 38 ASP H 2 39 ILE H 4.500 . 5.000 4.504 4.402 4.544 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1587 1 38 ASP QB 1 40 LYS QE 3.000 . 3.500 2.996 2.488 3.502 0.002 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
1588 2 38 ASP QB 2 40 LYS QE 3.000 . 3.500 2.996 2.488 3.501 0.001 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
1589 1 38 ASP QB 1 40 LYS H 4.500 . 5.000 5.032 4.993 5.078 0.078 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
1590 2 38 ASP QB 2 40 LYS H 4.500 . 5.000 5.032 4.991 5.078 0.078 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
1591 1 39 ILE HB 1 39 ILE MG 2.100 . 2.600 2.117 2.094 2.128 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1592 2 39 ILE HB 2 39 ILE MG 2.100 . 2.600 2.116 2.094 2.129 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1593 1 39 ILE H 1 39 ILE HB 2.500 . 3.000 2.681 2.597 2.819 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1594 2 39 ILE H 2 39 ILE HB 2.500 . 3.000 2.681 2.597 2.819 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1595 1 39 ILE H 1 39 ILE MD 4.500 . 5.000 3.718 1.977 4.082 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1596 2 39 ILE H 2 39 ILE MD 4.500 . 5.000 3.719 1.977 4.083 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1597 1 39 ILE H 1 39 ILE QG 3.500 . 4.000 2.412 2.169 3.080 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1598 2 39 ILE H 2 39 ILE QG 3.500 . 4.000 2.412 2.169 3.080 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1599 1 39 ILE H 1 39 ILE MG 4.500 . 5.000 3.854 3.803 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1600 2 39 ILE H 2 39 ILE MG 4.500 . 5.000 3.854 3.802 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1601 1 39 ILE HA 1 40 LYS H 4.500 . 5.000 2.149 2.129 2.177 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1602 2 39 ILE HA 2 40 LYS H 4.500 . 5.000 2.150 2.129 2.176 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1603 1 39 ILE HB 1 40 LYS H 3.500 . 4.000 4.008 3.971 4.050 0.050 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
1604 2 39 ILE HB 2 40 LYS H 3.500 . 4.000 4.008 3.970 4.050 0.050 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
1605 1 39 ILE MD 1 40 LYS H 4.500 . 5.000 5.045 5.000 5.082 0.082 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1606 2 39 ILE MD 2 40 LYS H 4.500 . 5.000 5.045 5.000 5.083 0.083 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1607 1 39 ILE MG 1 40 LYS HA 4.500 . 5.000 3.751 3.613 3.864 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1608 2 39 ILE MG 2 40 LYS HA 4.500 . 5.000 3.751 3.614 3.867 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1609 1 39 ILE MG 1 40 LYS H 3.500 . 4.000 2.493 2.324 2.594 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1610 2 39 ILE MG 2 40 LYS H 3.500 . 4.000 2.493 2.325 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1611 1 39 ILE H 1 40 LYS H 4.500 . 5.000 4.442 4.346 4.490 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1612 2 39 ILE H 2 40 LYS H 4.500 . 5.000 4.442 4.345 4.489 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1613 1 39 ILE MG 1 41 VAL H 6.000 . 6.500 4.951 4.570 5.187 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1614 2 39 ILE MG 2 41 VAL H 6.000 . 6.500 4.951 4.569 5.189 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1615 1 40 LYS HA 1 40 LYS QB 2.100 . 2.600 2.331 2.170 2.420 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1616 2 40 LYS HA 2 40 LYS QB 2.100 . 2.600 2.331 2.170 2.419 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1617 1 40 LYS H 1 40 LYS QB 2.500 . 3.000 2.679 2.498 3.078 0.078 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
1618 2 40 LYS H 2 40 LYS QB 2.500 . 3.000 2.679 2.497 3.077 0.077 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
1619 1 40 LYS QE 1 40 LYS QG 2.100 . 2.600 2.171 1.958 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1620 2 40 LYS QE 2 40 LYS QG 2.100 . 2.600 2.172 1.959 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1621 1 40 LYS H 1 40 LYS QG 3.500 . 4.000 2.767 1.959 3.170 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1622 2 40 LYS H 2 40 LYS QG 3.500 . 4.000 2.767 1.960 3.171 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1623 1 40 LYS HA 1 41 VAL H 2.100 . 2.600 2.414 2.185 2.618 0.018 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
1624 2 40 LYS HA 2 41 VAL H 2.100 . 2.600 2.414 2.185 2.618 0.018 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
1625 1 40 LYS QB 1 41 VAL H 2.500 . 3.000 2.384 2.075 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1626 2 40 LYS QB 2 41 VAL H 2.500 . 3.000 2.384 2.075 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1627 1 40 LYS QD 1 41 VAL H 4.500 . 5.000 4.672 4.266 5.015 0.015 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
1628 2 40 LYS QD 2 41 VAL H 4.500 . 5.000 4.672 4.265 5.015 0.015 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
1629 1 40 LYS QG 1 41 VAL H 3.500 . 4.000 3.918 3.710 4.014 0.014 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
1630 2 40 LYS QG 2 41 VAL H 3.500 . 4.000 3.918 3.709 4.012 0.012 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
1631 1 40 LYS QB 1 42 VAL MG2 4.500 . 5.000 3.197 3.014 3.330 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1632 2 40 LYS QB 2 42 VAL MG2 4.500 . 5.000 3.197 3.014 3.328 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1633 1 41 VAL HA 1 41 VAL MG1 2.500 . 3.000 2.301 2.117 2.392 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1634 2 41 VAL HA 2 41 VAL MG1 2.500 . 3.000 2.301 2.118 2.391 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1635 1 41 VAL H 1 41 VAL MG1 4.500 . 5.000 3.934 3.878 3.996 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1636 2 41 VAL H 2 41 VAL MG1 4.500 . 5.000 3.934 3.878 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1637 1 41 VAL HA 1 42 VAL MG2 3.500 . 4.000 3.461 3.296 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1638 2 41 VAL HA 2 42 VAL MG2 3.500 . 4.000 3.461 3.295 3.628 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1639 1 41 VAL HA 1 42 VAL H 2.100 . 2.600 2.157 2.131 2.187 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1640 2 41 VAL HA 2 42 VAL H 2.100 . 2.600 2.156 2.131 2.186 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1641 1 41 VAL HB 1 42 VAL H 3.500 . 4.000 4.034 3.990 4.067 0.067 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
1642 2 41 VAL HB 2 42 VAL H 3.500 . 4.000 4.034 3.992 4.068 0.068 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
1643 1 41 VAL MG1 1 42 VAL H 2.500 . 3.000 2.506 2.283 2.815 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1644 2 41 VAL MG1 2 42 VAL H 2.500 . 3.000 2.506 2.283 2.816 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1645 1 41 VAL MG2 1 42 VAL H 4.500 . 5.000 4.144 4.061 4.287 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1646 2 41 VAL MG2 2 42 VAL H 4.500 . 5.000 4.144 4.062 4.287 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1647 1 41 VAL H 1 42 VAL MG2 3.500 . 4.000 3.658 3.441 3.880 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1648 2 41 VAL H 2 42 VAL MG2 3.500 . 4.000 3.658 3.442 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1649 1 41 VAL H 1 42 VAL H 4.500 . 5.000 4.294 4.139 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1650 2 41 VAL H 2 42 VAL H 4.500 . 5.000 4.294 4.139 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1651 1 42 VAL HA 1 42 VAL MG1 2.500 . 3.000 2.318 2.169 2.415 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1652 2 42 VAL HA 2 42 VAL MG1 2.500 . 3.000 2.318 2.167 2.416 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1653 1 42 VAL HA 1 42 VAL MG2 2.500 . 3.000 2.462 2.360 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1654 2 42 VAL HA 2 42 VAL MG2 2.500 . 3.000 2.463 2.358 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1655 1 42 VAL HB 1 42 VAL MG1 2.100 . 2.600 2.123 2.105 2.128 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1656 2 42 VAL HB 2 42 VAL MG1 2.100 . 2.600 2.123 2.104 2.128 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1657 1 42 VAL H 1 42 VAL MG1 4.500 . 5.000 3.933 3.897 3.966 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1658 2 42 VAL H 2 42 VAL MG1 4.500 . 5.000 3.933 3.897 3.967 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1659 1 42 VAL H 1 42 VAL MG2 3.000 . 3.500 2.706 2.504 2.905 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1660 2 42 VAL H 2 42 VAL MG2 3.000 . 3.500 2.706 2.504 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1661 1 42 VAL HB 1 43 PRO QD 4.500 . 5.000 3.799 3.693 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1662 2 42 VAL HB 2 43 PRO QD 4.500 . 5.000 3.798 3.693 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1663 1 42 VAL MG1 1 43 PRO QD 3.000 . 3.500 1.847 1.810 1.933 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1664 2 42 VAL MG1 2 43 PRO QD 3.000 . 3.500 1.847 1.809 1.933 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1665 1 42 VAL MG2 1 43 PRO QD 4.500 . 5.000 3.534 3.398 3.672 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1666 2 42 VAL MG2 2 43 PRO QD 4.500 . 5.000 3.534 3.399 3.673 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1667 1 42 VAL MG1 1 46 LYS H 4.500 . 5.000 3.758 3.606 4.050 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1668 2 42 VAL MG1 2 46 LYS H 4.500 . 5.000 3.758 3.607 4.051 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1669 1 42 VAL HB 1 47 ALA MB 4.500 . 5.000 2.721 2.408 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1670 2 42 VAL HB 2 47 ALA MB 4.500 . 5.000 2.721 2.407 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1671 1 42 VAL MG1 1 47 ALA MB 2.500 . 3.000 2.908 2.561 3.021 0.021 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
1672 2 42 VAL MG1 2 47 ALA MB 2.500 . 3.000 2.908 2.561 3.021 0.021 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
1673 1 42 VAL MG2 1 47 ALA HA 6.000 . 6.500 5.245 4.999 5.468 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1674 2 42 VAL MG2 2 47 ALA HA 6.000 . 6.500 5.245 4.999 5.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1675 1 42 VAL MG2 1 47 ALA MB 3.500 . 4.000 3.898 3.630 4.009 0.009 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
1676 2 42 VAL MG2 2 47 ALA MB 3.500 . 4.000 3.898 3.629 4.009 0.009 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
1677 1 42 VAL H 1 47 ALA MB 6.000 . 6.500 4.536 4.308 4.678 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1678 2 42 VAL H 2 47 ALA MB 6.000 . 6.500 4.536 4.308 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1679 1 43 PRO QB 1 43 PRO QD 2.620 . 3.120 2.757 2.731 2.776 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1680 2 43 PRO QB 2 43 PRO QD 2.620 . 3.120 2.757 2.731 2.777 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1681 1 43 PRO QB 1 43 PRO QG 2.100 . 2.600 1.972 1.962 1.979 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1682 2 43 PRO QB 2 43 PRO QG 2.100 . 2.600 1.972 1.962 1.979 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1683 1 43 PRO QD 1 43 PRO QG 2.100 . 2.600 1.970 1.963 1.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1684 2 43 PRO QD 2 43 PRO QG 2.100 . 2.600 1.970 1.963 1.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1685 1 43 PRO QB 1 45 ARG QB 4.500 . 5.000 3.033 2.624 3.873 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1686 2 43 PRO QB 2 45 ARG QB 4.500 . 5.000 3.033 2.624 3.872 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1687 1 43 PRO QB 1 45 ARG H 4.500 . 5.000 2.786 2.526 2.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1688 2 43 PRO QB 2 45 ARG H 4.500 . 5.000 2.786 2.526 2.987 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1689 1 43 PRO QG 1 45 ARG H 4.500 . 5.000 4.693 4.235 4.966 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1690 2 43 PRO QG 2 45 ARG H 4.500 . 5.000 4.694 4.236 4.966 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1691 1 43 PRO QB 1 46 LYS H 4.500 . 5.000 2.537 2.214 2.784 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1692 2 43 PRO QB 2 46 LYS H 4.500 . 5.000 2.537 2.214 2.785 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1693 1 43 PRO QG 1 46 LYS H 4.500 . 5.000 4.021 3.063 4.630 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1694 2 43 PRO QG 2 46 LYS H 4.500 . 5.000 4.021 3.062 4.632 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1695 1 43 PRO QB 1 47 ALA H 4.500 . 5.000 4.771 4.030 5.021 0.021 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1696 2 43 PRO QB 2 47 ALA H 4.500 . 5.000 4.771 4.029 5.021 0.021 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
1697 1 44 ARG HA 1 44 ARG QD 2.620 . 3.120 2.165 1.975 2.758 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1698 2 44 ARG HA 2 44 ARG QD 2.620 . 3.120 2.165 1.973 2.759 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1699 1 44 ARG H 1 44 ARG QB 3.000 . 3.500 2.194 2.041 2.248 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1700 2 44 ARG H 2 44 ARG QB 3.000 . 3.500 2.194 2.041 2.248 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1701 1 44 ARG H 1 44 ARG QG 4.500 . 5.000 3.900 2.926 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1702 2 44 ARG H 2 44 ARG QG 4.500 . 5.000 3.900 2.928 4.046 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1703 1 44 ARG HA 1 45 ARG H 4.500 . 5.000 3.488 3.465 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1704 2 44 ARG HA 2 45 ARG H 4.500 . 5.000 3.488 3.466 3.521 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1705 1 44 ARG QB 1 45 ARG H 2.500 . 3.000 2.847 2.645 2.987 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1706 2 44 ARG QB 2 45 ARG H 2.500 . 3.000 2.847 2.645 2.987 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1707 1 44 ARG H 1 45 ARG H 3.000 . 3.500 2.759 2.681 2.866 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1708 2 44 ARG H 2 45 ARG H 3.000 . 3.500 2.759 2.680 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1709 1 44 ARG HA 1 46 LYS H 4.500 . 5.000 4.020 3.696 4.274 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1710 2 44 ARG HA 2 46 LYS H 4.500 . 5.000 4.020 3.695 4.274 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1711 1 44 ARG QB 1 46 LYS H 4.500 . 5.000 4.738 4.565 4.913 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1712 2 44 ARG QB 2 46 LYS H 4.500 . 5.000 4.738 4.566 4.913 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1713 1 44 ARG H 1 46 LYS H 4.500 . 5.000 4.263 4.128 4.411 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1714 2 44 ARG H 2 46 LYS H 4.500 . 5.000 4.263 4.128 4.412 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1715 1 44 ARG HA 1 47 ALA MB 2.100 . 2.600 2.406 2.152 2.600 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1716 2 44 ARG HA 2 47 ALA MB 2.100 . 2.600 2.406 2.152 2.599 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1717 1 44 ARG HA 1 47 ALA H 3.000 . 3.500 3.463 3.034 3.552 0.052 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
1718 2 44 ARG HA 2 47 ALA H 3.000 . 3.500 3.463 3.034 3.550 0.050 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
1719 1 45 ARG H 1 45 ARG QB 2.500 . 3.000 2.279 2.056 2.649 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1720 2 45 ARG H 2 45 ARG QB 2.500 . 3.000 2.279 2.057 2.647 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1721 1 45 ARG HA 1 46 LYS HA 4.500 . 5.000 4.572 4.514 4.642 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1722 2 45 ARG HA 2 46 LYS HA 4.500 . 5.000 4.572 4.514 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1723 1 45 ARG HA 1 46 LYS H 4.500 . 5.000 3.492 3.433 3.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1724 2 45 ARG HA 2 46 LYS H 4.500 . 5.000 3.492 3.433 3.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1725 1 45 ARG QB 1 46 LYS H 3.500 . 4.000 2.937 2.648 3.616 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1726 2 45 ARG QB 2 46 LYS H 3.500 . 4.000 2.937 2.646 3.617 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1727 1 45 ARG H 1 46 LYS H 4.500 . 5.000 2.581 2.488 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1728 2 45 ARG H 2 46 LYS H 4.500 . 5.000 2.581 2.489 2.670 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1729 1 45 ARG HA 1 47 ALA H 4.500 . 5.000 3.887 3.777 4.137 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1730 2 45 ARG HA 2 47 ALA H 4.500 . 5.000 3.886 3.776 4.138 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1731 1 45 ARG H 1 47 ALA MB 6.000 . 6.500 4.703 4.524 4.889 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1732 2 45 ARG H 2 47 ALA MB 6.000 . 6.500 4.703 4.523 4.889 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1733 1 45 ARG H 1 47 ALA H 4.500 . 5.000 4.077 3.760 4.316 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1734 2 45 ARG H 2 47 ALA H 4.500 . 5.000 4.077 3.761 4.316 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1735 1 46 LYS H 1 46 LYS HA 3.000 . 3.500 2.938 2.908 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1736 2 46 LYS H 2 46 LYS HA 3.000 . 3.500 2.938 2.908 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1737 1 46 LYS HA 1 47 ALA HA 4.500 . 5.000 4.450 4.400 4.584 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1738 2 46 LYS HA 2 47 ALA HA 4.500 . 5.000 4.450 4.402 4.582 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1739 1 46 LYS HA 1 47 ALA H 3.000 . 3.500 3.084 2.976 3.395 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1740 2 46 LYS HA 2 47 ALA H 3.000 . 3.500 3.084 2.976 3.394 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1741 1 46 LYS H 1 47 ALA MB 4.500 . 5.000 3.790 3.633 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1742 2 46 LYS H 2 47 ALA MB 4.500 . 5.000 3.790 3.630 4.043 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1743 1 46 LYS H 1 47 ALA H 2.100 . 2.600 2.553 2.253 2.627 0.027 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
1744 2 46 LYS H 2 47 ALA H 2.100 . 2.600 2.553 2.252 2.628 0.028 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
1745 1 47 ALA HA 1 47 ALA MB 2.100 . 2.600 2.118 2.097 2.128 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1746 2 47 ALA HA 2 47 ALA MB 2.100 . 2.600 2.118 2.098 2.128 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1747 1 47 ALA H 1 47 ALA HA 3.000 . 3.500 2.940 2.930 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1748 2 47 ALA H 2 47 ALA HA 3.000 . 3.500 2.940 2.931 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1749 1 47 ALA H 1 47 ALA MB 2.100 . 2.600 2.531 2.318 2.613 0.013 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
1750 2 47 ALA H 2 47 ALA MB 2.100 . 2.600 2.531 2.317 2.612 0.012 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
1751 1 47 ALA HA 1 48 LYS QB 3.960 . 4.460 4.298 4.109 4.479 0.019 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
1752 2 47 ALA HA 2 48 LYS QB 3.960 . 4.460 4.298 4.110 4.480 0.020 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
1753 1 47 ALA HA 1 48 LYS H 2.100 . 2.600 2.396 2.283 2.481 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1754 2 47 ALA HA 2 48 LYS H 2.100 . 2.600 2.396 2.283 2.481 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1755 1 47 ALA MB 1 48 LYS H 2.100 . 2.600 2.447 2.254 2.602 0.002 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
1756 2 47 ALA MB 2 48 LYS H 2.100 . 2.600 2.447 2.252 2.602 0.002 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
1757 1 47 ALA H 1 48 LYS QG 4.500 . 5.000 4.193 3.911 4.690 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1758 2 47 ALA H 2 48 LYS QG 4.500 . 5.000 4.193 3.909 4.691 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1759 1 47 ALA H 1 48 LYS H 4.500 . 5.000 4.457 4.410 4.533 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1760 2 47 ALA H 2 48 LYS H 4.500 . 5.000 4.457 4.410 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1761 1 48 LYS HA 1 48 LYS QB 1.820 . 2.320 2.370 2.294 2.432 0.112 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
1762 2 48 LYS HA 2 48 LYS QB 1.820 . 2.320 2.370 2.292 2.428 0.108 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
1763 1 48 LYS H 1 48 LYS QB 3.000 . 3.500 2.718 2.619 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1764 2 48 LYS H 2 48 LYS QB 3.000 . 3.500 2.717 2.621 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1765 1 48 LYS H 1 48 LYS QG 3.000 . 3.500 3.151 2.883 3.501 0.001 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
1766 2 48 LYS H 2 48 LYS QG 3.000 . 3.500 3.151 2.882 3.501 0.001 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
1767 1 48 LYS HA 1 49 ILE HB 4.500 . 5.000 4.701 4.390 4.842 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1768 2 48 LYS HA 2 49 ILE HB 4.500 . 5.000 4.701 4.389 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1769 1 48 LYS HA 1 49 ILE H 2.100 . 2.600 2.192 2.130 2.407 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1770 2 48 LYS HA 2 49 ILE H 2.100 . 2.600 2.193 2.131 2.404 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1771 1 48 LYS QB 1 49 ILE H 3.500 . 4.000 3.173 2.387 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1772 2 48 LYS QB 2 49 ILE H 3.500 . 4.000 3.173 2.387 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1773 1 48 LYS H 1 49 ILE H 4.500 . 5.000 4.166 3.953 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1774 2 48 LYS H 2 49 ILE H 4.500 . 5.000 4.166 3.953 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1775 1 49 ILE H 1 49 ILE HB 3.000 . 3.500 2.701 2.591 3.070 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1776 2 49 ILE H 2 49 ILE HB 3.000 . 3.500 2.701 2.591 3.069 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1777 1 49 ILE HA 1 50 ILE H 3.500 . 4.000 2.186 2.140 2.265 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1778 2 49 ILE HA 2 50 ILE H 3.500 . 4.000 2.186 2.140 2.264 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1779 1 49 ILE HB 1 50 ILE H 4.500 . 5.000 4.018 3.626 4.333 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1780 2 49 ILE HB 2 50 ILE H 4.500 . 5.000 4.018 3.624 4.331 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1781 1 49 ILE MD 1 50 ILE H 3.500 . 4.000 3.773 3.483 4.020 0.020 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
1782 2 49 ILE MD 2 50 ILE H 3.500 . 4.000 3.773 3.482 4.020 0.020 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
1783 1 49 ILE H 1 50 ILE H 4.500 . 5.000 4.490 4.098 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1784 2 49 ILE H 2 50 ILE H 4.500 . 5.000 4.490 4.099 4.587 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1785 1 50 ILE HA 1 50 ILE MG 2.100 . 2.600 2.267 2.208 2.327 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1786 2 50 ILE HA 2 50 ILE MG 2.100 . 2.600 2.267 2.206 2.327 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1787 1 50 ILE H 1 50 ILE HB 3.000 . 3.500 2.916 2.700 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1788 2 50 ILE H 2 50 ILE HB 3.000 . 3.500 2.916 2.701 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1789 1 50 ILE H 1 50 ILE QG 2.620 . 3.120 2.836 2.506 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1790 2 50 ILE H 2 50 ILE QG 2.620 . 3.120 2.835 2.505 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1791 1 50 ILE H 1 50 ILE MG 4.500 . 5.000 3.963 3.874 4.005 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1792 2 50 ILE H 2 50 ILE MG 4.500 . 5.000 3.963 3.873 4.006 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1793 1 50 ILE HA 1 51 ARG H 2.100 . 2.600 2.362 2.272 2.417 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1794 2 50 ILE HA 2 51 ARG H 2.100 . 2.600 2.362 2.273 2.416 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1795 1 50 ILE HB 1 51 ARG H 4.500 . 5.000 3.558 3.429 3.728 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1796 2 50 ILE HB 2 51 ARG H 4.500 . 5.000 3.558 3.430 3.729 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1797 1 50 ILE MD 1 51 ARG H 4.500 . 5.000 4.586 4.535 4.753 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1798 2 50 ILE MD 2 51 ARG H 4.500 . 5.000 4.586 4.535 4.754 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1799 1 50 ILE QG 1 51 ARG H 5.300 . 5.800 4.105 4.025 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1800 2 50 ILE QG 2 51 ARG H 5.300 . 5.800 4.105 4.026 4.177 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1801 1 50 ILE MG 1 51 ARG H 3.000 . 3.500 1.931 1.879 2.113 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1802 2 50 ILE MG 2 51 ARG H 3.000 . 3.500 1.931 1.880 2.113 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1803 1 50 ILE H 1 51 ARG H 4.500 . 5.000 4.418 4.372 4.510 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1804 2 50 ILE H 2 51 ARG H 4.500 . 5.000 4.418 4.371 4.512 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1805 1 50 ILE MG 1 52 ASP H 6.000 . 6.500 4.759 4.658 4.938 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1806 2 50 ILE MG 2 52 ASP H 6.000 . 6.500 4.759 4.659 4.938 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1807 1 51 ARG H 1 51 ARG QB 2.100 . 2.600 2.361 2.283 2.655 0.055 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
1808 2 51 ARG H 2 51 ARG QB 2.100 . 2.600 2.361 2.284 2.654 0.054 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
1809 1 51 ARG H 1 51 ARG QD 4.500 . 5.000 4.532 4.360 4.968 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1810 2 51 ARG H 2 51 ARG QD 4.500 . 5.000 4.532 4.360 4.966 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1811 1 51 ARG H 1 51 ARG QG 4.500 . 5.000 3.989 2.578 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1812 2 51 ARG H 2 51 ARG QG 4.500 . 5.000 3.989 2.578 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1813 1 51 ARG HA 1 52 ASP QB 4.500 . 5.000 4.147 3.988 4.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1814 2 51 ARG HA 2 52 ASP QB 4.500 . 5.000 4.147 3.988 4.436 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1815 1 51 ARG HA 1 52 ASP H 2.100 . 2.600 2.219 2.165 2.350 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1816 2 51 ARG HA 2 52 ASP H 2.100 . 2.600 2.219 2.164 2.350 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1817 1 51 ARG QB 1 52 ASP H 3.000 . 3.500 3.502 2.627 3.563 0.063 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1818 2 51 ARG QB 2 52 ASP H 3.000 . 3.500 3.502 2.627 3.563 0.063 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1819 1 51 ARG QD 1 52 ASP H 4.500 . 5.000 4.442 2.539 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1820 2 51 ARG QD 2 52 ASP H 4.500 . 5.000 4.442 2.538 4.726 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1821 1 51 ARG QG 1 52 ASP H 3.000 . 3.500 2.503 2.222 3.536 0.036 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
1822 2 51 ARG QG 2 52 ASP H 3.000 . 3.500 2.503 2.223 3.537 0.037 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
1823 1 51 ARG H 1 52 ASP H 4.500 . 5.000 4.541 4.478 4.570 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1824 2 51 ARG H 2 52 ASP H 4.500 . 5.000 4.541 4.479 4.572 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1825 1 52 ASP HA 1 52 ASP QB 1.820 . 2.320 2.330 2.182 2.412 0.092 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
1826 2 52 ASP HA 2 52 ASP QB 1.820 . 2.320 2.330 2.182 2.412 0.092 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
1827 1 52 ASP H 1 52 ASP HA 3.000 . 3.500 2.848 2.731 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1828 2 52 ASP H 2 52 ASP HA 3.000 . 3.500 2.848 2.731 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1829 1 52 ASP H 1 52 ASP QB 1.820 . 2.320 2.315 2.231 2.413 0.093 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1830 2 52 ASP H 2 52 ASP QB 1.820 . 2.320 2.315 2.233 2.414 0.094 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
1831 1 24 LEU HA 2 25 TRP HE1 4.500 . 5.000 3.739 2.921 4.192 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1832 1 25 TRP HE1 2 24 LEU HA 4.500 . 5.000 3.742 2.977 4.177 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1833 1 24 LEU HA 2 25 TRP HZ2 4.500 . 5.000 4.259 3.825 4.740 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1834 1 25 TRP HZ2 2 24 LEU HA 4.500 . 5.000 4.261 3.866 4.772 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1835 1 24 LEU MD1 2 25 TRP HZ2 4.500 . 5.000 3.379 2.466 4.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1836 1 25 TRP HZ2 2 24 LEU MD1 4.500 . 5.000 3.382 2.566 4.302 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1837 1 24 LEU MD1 2 25 TRP HZ3 4.500 . 5.000 4.113 3.455 4.995 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1838 1 25 TRP HZ3 2 24 LEU MD1 4.500 . 5.000 4.116 3.535 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1839 1 24 LEU MD2 2 25 TRP HE1 4.500 . 5.000 3.353 1.990 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1840 1 25 TRP HE1 2 24 LEU MD2 4.500 . 5.000 3.358 2.047 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1841 1 24 LEU MD2 2 25 TRP HZ2 3.000 . 3.500 2.146 1.955 2.847 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1842 1 25 TRP HZ2 2 24 LEU MD2 3.000 . 3.500 2.147 1.963 2.857 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1843 1 24 LEU HG 2 25 TRP HZ2 4.500 . 5.000 4.817 4.368 5.002 0.002 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
1844 1 25 TRP HZ2 2 24 LEU HG 4.500 . 5.000 4.822 4.455 5.030 0.030 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
1845 1 24 LEU MD2 2 28 GLU QG 4.500 . 5.000 3.108 2.576 4.734 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1846 1 28 GLU QG 2 24 LEU MD2 4.500 . 5.000 3.113 2.518 4.752 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1847 1 25 TRP HZ2 2 32 VAL MG1 4.500 . 5.000 5.013 4.814 5.160 0.160 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
1848 1 32 VAL MG1 2 25 TRP HZ2 4.500 . 5.000 5.011 4.776 5.143 0.143 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
1849 1 25 TRP HZ3 2 32 VAL MG1 4.500 . 5.000 4.194 3.676 4.812 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1850 1 32 VAL MG1 2 25 TRP HZ3 4.500 . 5.000 4.193 3.657 4.781 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1851 1 25 TRP HH2 2 39 ILE MD 3.000 . 3.500 2.474 1.921 3.241 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1852 1 39 ILE MD 2 25 TRP HH2 3.000 . 3.500 2.472 1.954 3.255 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1853 1 25 TRP HZ2 2 39 ILE MD 4.500 . 5.000 4.130 3.279 4.985 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1854 1 39 ILE MD 2 25 TRP HZ2 4.500 . 5.000 4.127 3.155 5.038 0.038 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
1855 1 25 TRP HZ3 2 39 ILE MD 3.000 . 3.500 2.675 2.215 3.438 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1856 1 39 ILE MD 2 25 TRP HZ3 3.000 . 3.500 2.672 2.295 3.407 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1857 1 25 TRP HZ3 2 39 ILE MG 4.500 . 5.000 3.763 3.258 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1858 1 39 ILE MG 2 25 TRP HZ3 4.500 . 5.000 3.758 3.345 4.214 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1859 1 28 GLU QG 2 34 GLN QE 3.960 . 4.460 3.506 2.281 4.406 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1860 1 34 GLN QE 2 28 GLU QG 3.960 . 4.460 3.498 2.341 4.411 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1861 1 28 GLU QB 2 39 ILE MD 4.500 . 5.000 2.411 1.864 3.637 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1862 1 39 ILE MD 2 28 GLU QB 4.500 . 5.000 2.409 1.924 3.622 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1863 1 28 GLU QG 2 39 ILE MD 3.960 . 4.460 2.635 1.837 3.289 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1864 1 39 ILE MD 2 28 GLU QG 3.960 . 4.460 2.633 1.866 3.325 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1865 1 28 GLU H 2 39 ILE MD 4.500 . 5.000 3.756 3.329 4.298 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1866 1 39 ILE MD 2 28 GLU H 4.500 . 5.000 3.752 3.293 4.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1867 1 30 ALA MB 2 39 ILE MD 3.000 . 3.500 2.211 1.882 2.730 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1868 1 39 ILE MD 2 30 ALA MB 3.000 . 3.500 2.209 1.934 2.684 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1869 1 30 ALA MB 2 39 ILE MG 3.500 . 4.000 3.692 3.320 4.028 0.028 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
1870 1 39 ILE MG 2 30 ALA MB 3.500 . 4.000 3.690 3.295 4.007 0.007 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
1871 1 32 VAL MG2 2 39 ILE MD 4.500 . 5.000 4.267 3.618 4.963 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1872 1 39 ILE MD 2 32 VAL MG2 4.500 . 5.000 4.266 3.561 4.981 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1873 1 39 ILE HB 2 41 VAL MG1 3.500 . 4.000 3.237 2.844 3.435 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1874 1 41 VAL MG1 2 39 ILE HB 3.500 . 4.000 3.243 2.845 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
1875 1 39 ILE MD 2 41 VAL QG 3.000 . 3.500 3.419 2.817 3.551 0.051 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
1876 1 41 VAL QG 2 39 ILE MD 3.000 . 3.500 3.420 2.827 3.553 0.053 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
1877 1 39 ILE H 2 41 VAL QG 4.500 . 5.000 4.874 4.392 5.065 0.065 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
1878 1 41 VAL QG 2 39 ILE H 4.500 . 5.000 4.878 4.368 5.031 0.031 32 0 "[ . 1 . 2 . 3 . 4 ]" 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 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 25 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 25 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 30 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
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 25 TRP HE3 1 30 ALA MB 4.500 . 5.000 3.663 3.367 4.145 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
2 2 25 TRP HE3 2 30 ALA MB 4.500 . 5.000 3.663 3.367 4.145 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
3 1 24 LEU MD1 2 25 TRP HE3 4.500 . 5.000 3.096 2.272 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
4 1 25 TRP HE3 2 24 LEU MD1 4.500 . 5.000 3.096 2.278 4.017 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
5 1 39 ILE MG 2 25 TRP HE3 4.500 . 5.000 3.768 3.459 4.262 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
6 1 25 TRP HE3 2 39 ILE MG 4.500 . 5.000 3.772 3.415 4.220 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 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 72
_Distance_constraint_stats_list.Viol_count 246
_Distance_constraint_stats_list.Viol_total 740.508
_Distance_constraint_stats_list.Viol_max 0.183
_Distance_constraint_stats_list.Viol_rms 0.0262
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0717
_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 4 ASN 1.017 0.076 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 6 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 8 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 9 TYR 7.790 0.183 17 0 "[ . 1 . 2 . 3 . 4 ]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 18 LYS 7.790 0.183 17 0 "[ . 1 . 2 . 3 . 4 ]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 25 TRP 0.010 0.010 16 0 "[ . 1 . 2 . 3 . 4 ]"
1 31 VAL 0.006 0.006 28 0 "[ . 1 . 2 . 3 . 4 ]"
1 32 VAL 0.010 0.010 16 0 "[ . 1 . 2 . 3 . 4 ]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 42 VAL 0.006 0.006 28 0 "[ . 1 . 2 . 3 . 4 ]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 52 ASP 1.017 0.076 23 0 "[ . 1 . 2 . 3 . 4 ]"
2 4 ASN 1.003 0.077 23 0 "[ . 1 . 2 . 3 . 4 ]"
2 6 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 8 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 9 TYR 7.789 0.182 17 0 "[ . 1 . 2 . 3 . 4 ]"
2 10 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 18 LYS 7.789 0.182 17 0 "[ . 1 . 2 . 3 . 4 ]"
2 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 25 TRP 0.010 0.010 16 0 "[ . 1 . 2 . 3 . 4 ]"
2 31 VAL 0.006 0.006 28 0 "[ . 1 . 2 . 3 . 4 ]"
2 32 VAL 0.010 0.010 16 0 "[ . 1 . 2 . 3 . 4 ]"
2 33 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 34 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 42 VAL 0.006 0.006 28 0 "[ . 1 . 2 . 3 . 4 ]"
2 46 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 48 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 50 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 52 ASP 1.003 0.077 23 0 "[ . 1 . 2 . 3 . 4 ]"
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 ASN O 1 52 ASP H 2.000 . 2.500 2.522 2.418 2.576 0.076 23 0 "[ . 1 . 2 . 3 . 4 ]" 3
2 1 4 ASN O 1 52 ASP N 3.000 2.400 3.500 3.315 3.200 3.432 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
3 1 6 ARG H 1 50 ILE O 2.000 . 2.500 1.979 1.838 2.041 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
4 1 6 ARG N 1 50 ILE O 3.000 2.400 3.500 2.575 2.555 2.594 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
5 1 6 ARG O 1 50 ILE H 2.000 . 2.500 2.169 1.881 2.449 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
6 1 6 ARG O 1 50 ILE N 3.000 2.400 3.500 2.821 2.566 3.154 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
7 1 7 VAL H 1 21 ALA O 2.000 . 2.500 2.126 1.778 2.424 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
8 1 7 VAL N 1 21 ALA O 3.000 2.400 3.500 3.081 2.688 3.399 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
9 1 7 VAL O 1 21 ALA H 2.000 . 2.500 1.925 1.795 2.066 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
10 1 7 VAL O 1 21 ALA N 3.000 2.400 3.500 2.663 2.584 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
11 1 8 TYR H 1 48 LYS O 2.000 . 2.500 1.969 1.689 2.424 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
12 1 8 TYR N 1 48 LYS O 3.000 2.400 3.500 2.895 2.657 3.239 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
13 1 8 TYR O 1 48 LYS H 2.000 . 2.500 1.803 1.712 1.927 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
14 1 8 TYR O 1 48 LYS N 3.000 2.400 3.500 2.652 2.587 2.743 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
15 1 9 TYR H 1 18 LYS O 2.000 . 2.500 2.654 2.631 2.683 0.183 17 0 "[ . 1 . 2 . 3 . 4 ]" 3
16 1 9 TYR N 1 18 LYS O 3.000 2.400 3.500 3.532 3.496 3.559 0.059 24 0 "[ . 1 . 2 . 3 . 4 ]" 3
17 1 9 TYR O 1 18 LYS H 2.000 . 2.500 1.709 1.645 1.917 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
18 1 9 TYR O 1 18 LYS N 3.000 2.400 3.500 2.567 2.544 2.587 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
19 1 10 ARG H 1 46 LYS O 2.000 . 2.500 2.027 1.697 2.495 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
20 1 10 ARG N 1 46 LYS O 3.000 2.400 3.500 2.986 2.651 3.455 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
21 1 22 LYS H 1 34 GLN O 2.000 . 2.500 1.962 1.759 2.222 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
22 1 22 LYS N 1 34 GLN O 3.000 2.400 3.500 2.897 2.641 3.140 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
23 1 22 LYS O 1 34 GLN H 2.000 . 2.500 2.175 1.893 2.380 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
24 1 22 LYS O 1 34 GLN N 3.000 2.400 3.500 3.078 2.838 3.267 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
25 1 24 LEU H 1 32 VAL O 2.000 . 2.500 2.335 2.137 2.492 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
26 1 24 LEU N 1 32 VAL O 3.000 2.400 3.500 3.152 2.978 3.337 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
27 1 25 TRP O 1 32 VAL H 2.000 . 2.500 2.152 1.816 2.510 0.010 16 0 "[ . 1 . 2 . 3 . 4 ]" 3
28 1 25 TRP O 1 32 VAL N 3.000 2.400 3.500 2.920 2.626 3.204 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
29 1 31 VAL H 1 42 VAL O 2.000 . 2.500 1.860 1.682 2.140 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
30 1 31 VAL N 1 42 VAL O 3.000 2.400 3.500 2.793 2.626 3.092 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
31 1 31 VAL O 1 42 VAL H 2.000 . 2.500 2.246 1.970 2.506 0.006 28 0 "[ . 1 . 2 . 3 . 4 ]" 3
32 1 31 VAL O 1 42 VAL N 3.000 2.400 3.500 3.214 2.934 3.462 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
33 1 33 ILE H 1 40 LYS O 2.000 . 2.500 1.819 1.666 2.110 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
34 1 33 ILE N 1 40 LYS O 3.000 2.400 3.500 2.778 2.636 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
35 1 33 ILE O 1 40 LYS H 2.000 . 2.500 1.800 1.682 1.993 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
36 1 33 ILE O 1 40 LYS N 3.000 2.400 3.500 2.763 2.633 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
37 2 4 ASN O 2 52 ASP H 2.000 . 2.500 2.521 2.419 2.577 0.077 23 0 "[ . 1 . 2 . 3 . 4 ]" 3
38 2 4 ASN O 2 52 ASP N 3.000 2.400 3.500 3.315 3.202 3.431 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
39 2 6 ARG H 2 50 ILE O 2.000 . 2.500 1.979 1.840 2.043 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
40 2 6 ARG N 2 50 ILE O 3.000 2.400 3.500 2.575 2.555 2.595 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
41 2 6 ARG O 2 50 ILE H 2.000 . 2.500 2.170 1.883 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
42 2 6 ARG O 2 50 ILE N 3.000 2.400 3.500 2.822 2.567 3.153 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
43 2 7 VAL H 2 21 ALA O 2.000 . 2.500 2.127 1.778 2.425 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
44 2 7 VAL N 2 21 ALA O 3.000 2.400 3.500 3.081 2.688 3.400 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
45 2 7 VAL O 2 21 ALA H 2.000 . 2.500 1.924 1.797 2.066 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
46 2 7 VAL O 2 21 ALA N 3.000 2.400 3.500 2.663 2.584 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
47 2 8 TYR H 2 48 LYS O 2.000 . 2.500 1.969 1.689 2.421 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
48 2 8 TYR N 2 48 LYS O 3.000 2.400 3.500 2.895 2.657 3.237 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
49 2 8 TYR O 2 48 LYS H 2.000 . 2.500 1.803 1.712 1.928 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
50 2 8 TYR O 2 48 LYS N 3.000 2.400 3.500 2.652 2.588 2.744 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
51 2 9 TYR H 2 18 LYS O 2.000 . 2.500 2.654 2.634 2.682 0.182 17 0 "[ . 1 . 2 . 3 . 4 ]" 3
52 2 9 TYR N 2 18 LYS O 3.000 2.400 3.500 3.532 3.495 3.557 0.057 19 0 "[ . 1 . 2 . 3 . 4 ]" 3
53 2 9 TYR O 2 18 LYS H 2.000 . 2.500 1.709 1.647 1.917 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
54 2 9 TYR O 2 18 LYS N 3.000 2.400 3.500 2.567 2.542 2.587 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
55 2 10 ARG H 2 46 LYS O 2.000 . 2.500 2.027 1.696 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
56 2 10 ARG N 2 46 LYS O 3.000 2.400 3.500 2.987 2.650 3.456 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
57 2 22 LYS H 2 34 GLN O 2.000 . 2.500 1.963 1.761 2.222 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
58 2 22 LYS N 2 34 GLN O 3.000 2.400 3.500 2.897 2.642 3.140 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
59 2 22 LYS O 2 34 GLN H 2.000 . 2.500 2.175 1.892 2.378 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
60 2 22 LYS O 2 34 GLN N 3.000 2.400 3.500 3.078 2.838 3.267 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
61 2 24 LEU H 2 32 VAL O 2.000 . 2.500 2.335 2.135 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
62 2 24 LEU N 2 32 VAL O 3.000 2.400 3.500 3.153 2.978 3.338 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
63 2 25 TRP O 2 32 VAL H 2.000 . 2.500 2.152 1.817 2.510 0.010 16 0 "[ . 1 . 2 . 3 . 4 ]" 3
64 2 25 TRP O 2 32 VAL N 3.000 2.400 3.500 2.920 2.629 3.204 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
65 2 31 VAL H 2 42 VAL O 2.000 . 2.500 1.859 1.681 2.141 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
66 2 31 VAL N 2 42 VAL O 3.000 2.400 3.500 2.793 2.625 3.092 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
67 2 31 VAL O 2 42 VAL H 2.000 . 2.500 2.246 1.967 2.506 0.006 28 0 "[ . 1 . 2 . 3 . 4 ]" 3
68 2 31 VAL O 2 42 VAL N 3.000 2.400 3.500 3.214 2.933 3.462 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
69 2 33 ILE H 2 40 LYS O 2.000 . 2.500 1.819 1.667 2.110 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
70 2 33 ILE N 2 40 LYS O 3.000 2.400 3.500 2.779 2.637 3.037 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
71 2 33 ILE O 2 40 LYS H 2.000 . 2.500 1.800 1.682 1.994 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
72 2 33 ILE O 2 40 LYS N 3.000 2.400 3.500 2.763 2.634 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 3
stop_
save_
Contact the webmaster for help, if required. Monday, July 1, 2024 7:28:14 AM GMT (wattos1)