NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369281 |
1b4c   |
4001 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b4c
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 1634
_Distance_constraint_stats_list.Viol_count 1961
_Distance_constraint_stats_list.Viol_total 1557.624
_Distance_constraint_stats_list.Viol_max 0.222
_Distance_constraint_stats_list.Viol_rms 0.0127
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0378
_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 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 GLU 0.037 0.017 6 0 "[ . 1 . 2 ]"
1 4 LEU 0.007 0.004 5 0 "[ . 1 . 2 ]"
1 5 GLU 0.003 0.003 13 0 "[ . 1 . 2 ]"
1 6 LYS 0.012 0.012 4 0 "[ . 1 . 2 ]"
1 7 ALA 0.401 0.061 2 0 "[ . 1 . 2 ]"
1 8 MET 0.763 0.057 8 0 "[ . 1 . 2 ]"
1 9 VAL 1.075 0.074 20 0 "[ . 1 . 2 ]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 LEU 4.976 0.182 18 0 "[ . 1 . 2 ]"
1 12 ILE 0.863 0.072 3 0 "[ . 1 . 2 ]"
1 13 ASP 0.568 0.053 9 0 "[ . 1 . 2 ]"
1 14 VAL 5.213 0.182 18 0 "[ . 1 . 2 ]"
1 15 PHE 0.756 0.074 20 0 "[ . 1 . 2 ]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 GLN 0.023 0.012 6 0 "[ . 1 . 2 ]"
1 18 TYR 0.192 0.044 9 0 "[ . 1 . 2 ]"
1 19 SER 0.487 0.068 19 0 "[ . 1 . 2 ]"
1 20 GLY 0.071 0.013 2 0 "[ . 1 . 2 ]"
1 21 ARG 0.071 0.013 2 0 "[ . 1 . 2 ]"
1 22 GLU 0.007 0.007 19 0 "[ . 1 . 2 ]"
1 23 GLY 0.007 0.007 19 0 "[ . 1 . 2 ]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 LYS 0.055 0.055 13 0 "[ . 1 . 2 ]"
1 26 HIS 0.813 0.084 17 0 "[ . 1 . 2 ]"
1 27 LYS 3.071 0.148 10 0 "[ . 1 . 2 ]"
1 28 LEU 0.979 0.074 20 0 "[ . 1 . 2 ]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 LYS 0.426 0.073 6 0 "[ . 1 . 2 ]"
1 31 SER 0.185 0.039 2 0 "[ . 1 . 2 ]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 LEU 0.012 0.012 7 0 "[ . 1 . 2 ]"
1 34 LYS 1.432 0.082 16 0 "[ . 1 . 2 ]"
1 35 GLU 1.912 0.082 16 0 "[ . 1 . 2 ]"
1 36 LEU 0.506 0.051 4 0 "[ . 1 . 2 ]"
1 37 ILE 1.178 0.068 13 0 "[ . 1 . 2 ]"
1 38 ASN 0.579 0.044 19 0 "[ . 1 . 2 ]"
1 39 ASN 0.112 0.015 10 0 "[ . 1 . 2 ]"
1 40 GLU 0.044 0.014 3 0 "[ . 1 . 2 ]"
1 41 LEU 0.668 0.067 4 0 "[ . 1 . 2 ]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 HIS 0.009 0.009 9 0 "[ . 1 . 2 ]"
1 44 PHE 0.598 0.063 7 0 "[ . 1 . 2 ]"
1 45 LEU 0.506 0.093 20 0 "[ . 1 . 2 ]"
1 46 GLU 1.098 0.055 19 0 "[ . 1 . 2 ]"
1 47 GLU 1.200 0.093 20 0 "[ . 1 . 2 ]"
1 48 ILE 0.468 0.055 7 0 "[ . 1 . 2 ]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 GLU 0.087 0.058 8 0 "[ . 1 . 2 ]"
1 51 GLN 0.047 0.026 9 0 "[ . 1 . 2 ]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 VAL 2.553 0.125 7 0 "[ . 1 . 2 ]"
1 54 VAL 0.181 0.041 7 0 "[ . 1 . 2 ]"
1 55 ASP 0.096 0.028 9 0 "[ . 1 . 2 ]"
1 56 LYS 1.584 0.063 1 0 "[ . 1 . 2 ]"
1 57 VAL 1.008 0.063 1 0 "[ . 1 . 2 ]"
1 58 MET 0.679 0.055 5 0 "[ . 1 . 2 ]"
1 59 GLU 1.198 0.074 20 0 "[ . 1 . 2 ]"
1 60 THR 0.337 0.105 20 0 "[ . 1 . 2 ]"
1 61 LEU 0.325 0.062 1 0 "[ . 1 . 2 ]"
1 62 ASP 0.924 0.074 20 0 "[ . 1 . 2 ]"
1 63 GLU 4.860 0.222 19 0 "[ . 1 . 2 ]"
1 64 ASP 5.536 0.222 19 0 "[ . 1 . 2 ]"
1 65 GLY 0.676 0.052 20 0 "[ . 1 . 2 ]"
1 66 ASP 0.307 0.065 4 0 "[ . 1 . 2 ]"
1 67 GLY 0.544 0.073 6 0 "[ . 1 . 2 ]"
1 68 GLU 0.686 0.131 16 0 "[ . 1 . 2 ]"
1 69 CYS 0.247 0.028 4 0 "[ . 1 . 2 ]"
1 70 ASP 0.111 0.052 19 0 "[ . 1 . 2 ]"
1 71 PHE 0.954 0.091 19 0 "[ . 1 . 2 ]"
1 72 GLN 0.055 0.021 19 0 "[ . 1 . 2 ]"
1 73 GLU 0.109 0.017 17 0 "[ . 1 . 2 ]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 MET 0.775 0.059 12 0 "[ . 1 . 2 ]"
1 76 ALA 1.160 0.093 15 0 "[ . 1 . 2 ]"
1 77 PHE 1.113 0.093 15 0 "[ . 1 . 2 ]"
1 78 VAL 0.591 0.077 8 0 "[ . 1 . 2 ]"
1 79 SER 0.025 0.017 8 0 "[ . 1 . 2 ]"
1 80 MET 0.694 0.052 2 0 "[ . 1 . 2 ]"
1 81 VAL 3.627 0.091 4 0 "[ . 1 . 2 ]"
1 82 THR 0.441 0.080 6 0 "[ . 1 . 2 ]"
1 83 THR 0.065 0.037 6 0 "[ . 1 . 2 ]"
1 84 ALA 0.526 0.058 8 0 "[ . 1 . 2 ]"
1 85 CYS 0.946 0.088 3 0 "[ . 1 . 2 ]"
1 88 PHE 0.129 0.065 14 0 "[ . 1 . 2 ]"
1 89 PHE 1.726 0.080 12 0 "[ . 1 . 2 ]"
1 90 GLU 1.696 0.079 4 0 "[ . 1 . 2 ]"
1 91 HIS 0.218 0.038 11 0 "[ . 1 . 2 ]"
1 92 GLU 0.022 0.011 2 0 "[ . 1 . 2 ]"
2 2 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 3 GLU 0.054 0.015 6 0 "[ . 1 . 2 ]"
2 4 LEU 0.017 0.014 5 0 "[ . 1 . 2 ]"
2 5 GLU 0.003 0.003 13 0 "[ . 1 . 2 ]"
2 6 LYS 0.011 0.011 4 0 "[ . 1 . 2 ]"
2 7 ALA 0.409 0.067 2 0 "[ . 1 . 2 ]"
2 8 MET 0.800 0.059 12 0 "[ . 1 . 2 ]"
2 9 VAL 1.287 0.067 4 0 "[ . 1 . 2 ]"
2 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 11 LEU 4.986 0.181 18 0 "[ . 1 . 2 ]"
2 12 ILE 0.871 0.073 3 0 "[ . 1 . 2 ]"
2 13 ASP 0.570 0.053 9 0 "[ . 1 . 2 ]"
2 14 VAL 5.180 0.181 18 0 "[ . 1 . 2 ]"
2 15 PHE 0.750 0.074 20 0 "[ . 1 . 2 ]"
2 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 17 GLN 0.023 0.012 6 0 "[ . 1 . 2 ]"
2 18 TYR 0.198 0.044 9 0 "[ . 1 . 2 ]"
2 19 SER 0.487 0.068 19 0 "[ . 1 . 2 ]"
2 20 GLY 0.071 0.013 2 0 "[ . 1 . 2 ]"
2 21 ARG 0.071 0.013 2 0 "[ . 1 . 2 ]"
2 22 GLU 0.007 0.007 19 0 "[ . 1 . 2 ]"
2 23 GLY 0.007 0.007 19 0 "[ . 1 . 2 ]"
2 24 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 25 LYS 0.055 0.055 13 0 "[ . 1 . 2 ]"
2 26 HIS 0.808 0.084 17 0 "[ . 1 . 2 ]"
2 27 LYS 3.079 0.149 10 0 "[ . 1 . 2 ]"
2 28 LEU 0.976 0.074 20 0 "[ . 1 . 2 ]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 30 LYS 0.430 0.073 6 0 "[ . 1 . 2 ]"
2 31 SER 0.183 0.039 2 0 "[ . 1 . 2 ]"
2 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 33 LEU 0.012 0.012 7 0 "[ . 1 . 2 ]"
2 34 LYS 1.428 0.081 16 0 "[ . 1 . 2 ]"
2 35 GLU 1.904 0.081 16 0 "[ . 1 . 2 ]"
2 36 LEU 0.510 0.052 4 0 "[ . 1 . 2 ]"
2 37 ILE 1.179 0.067 13 0 "[ . 1 . 2 ]"
2 38 ASN 0.580 0.044 19 0 "[ . 1 . 2 ]"
2 39 ASN 0.111 0.016 10 0 "[ . 1 . 2 ]"
2 40 GLU 0.042 0.014 3 0 "[ . 1 . 2 ]"
2 41 LEU 0.550 0.074 20 0 "[ . 1 . 2 ]"
2 42 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 43 HIS 0.010 0.010 9 0 "[ . 1 . 2 ]"
2 44 PHE 0.506 0.071 13 0 "[ . 1 . 2 ]"
2 45 LEU 0.506 0.094 20 0 "[ . 1 . 2 ]"
2 46 GLU 1.091 0.055 19 0 "[ . 1 . 2 ]"
2 47 GLU 1.195 0.094 20 0 "[ . 1 . 2 ]"
2 48 ILE 0.470 0.055 7 0 "[ . 1 . 2 ]"
2 49 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 50 GLU 0.088 0.058 8 0 "[ . 1 . 2 ]"
2 51 GLN 0.046 0.025 9 0 "[ . 1 . 2 ]"
2 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 53 VAL 2.556 0.124 7 0 "[ . 1 . 2 ]"
2 54 VAL 0.179 0.042 7 0 "[ . 1 . 2 ]"
2 55 ASP 0.095 0.029 9 0 "[ . 1 . 2 ]"
2 56 LYS 1.589 0.063 1 0 "[ . 1 . 2 ]"
2 57 VAL 1.009 0.063 1 0 "[ . 1 . 2 ]"
2 58 MET 0.677 0.055 5 0 "[ . 1 . 2 ]"
2 59 GLU 1.199 0.075 20 0 "[ . 1 . 2 ]"
2 60 THR 0.336 0.104 20 0 "[ . 1 . 2 ]"
2 61 LEU 0.320 0.062 1 0 "[ . 1 . 2 ]"
2 62 ASP 0.927 0.075 20 0 "[ . 1 . 2 ]"
2 63 GLU 4.855 0.222 19 0 "[ . 1 . 2 ]"
2 64 ASP 5.343 0.222 19 0 "[ . 1 . 2 ]"
2 65 GLY 0.488 0.044 1 0 "[ . 1 . 2 ]"
2 66 ASP 0.298 0.064 4 0 "[ . 1 . 2 ]"
2 67 GLY 0.538 0.073 6 0 "[ . 1 . 2 ]"
2 68 GLU 0.685 0.129 16 0 "[ . 1 . 2 ]"
2 69 CYS 0.248 0.028 4 0 "[ . 1 . 2 ]"
2 70 ASP 0.109 0.052 19 0 "[ . 1 . 2 ]"
2 71 PHE 1.044 0.078 19 0 "[ . 1 . 2 ]"
2 72 GLN 0.054 0.021 19 0 "[ . 1 . 2 ]"
2 73 GLU 0.113 0.016 17 0 "[ . 1 . 2 ]"
2 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 75 MET 0.748 0.051 12 0 "[ . 1 . 2 ]"
2 76 ALA 1.161 0.093 15 0 "[ . 1 . 2 ]"
2 77 PHE 1.112 0.093 15 0 "[ . 1 . 2 ]"
2 78 VAL 0.585 0.077 8 0 "[ . 1 . 2 ]"
2 79 SER 0.028 0.020 8 0 "[ . 1 . 2 ]"
2 80 MET 0.700 0.052 2 0 "[ . 1 . 2 ]"
2 81 VAL 3.635 0.090 4 0 "[ . 1 . 2 ]"
2 82 THR 0.424 0.080 6 0 "[ . 1 . 2 ]"
2 83 THR 0.035 0.016 6 0 "[ . 1 . 2 ]"
2 84 ALA 0.527 0.058 8 0 "[ . 1 . 2 ]"
2 85 CYS 0.944 0.088 3 0 "[ . 1 . 2 ]"
2 88 PHE 0.128 0.058 14 0 "[ . 1 . 2 ]"
2 89 PHE 1.685 0.091 19 0 "[ . 1 . 2 ]"
2 90 GLU 1.725 0.080 4 0 "[ . 1 . 2 ]"
2 91 HIS 0.218 0.037 11 0 "[ . 1 . 2 ]"
2 92 GLU 0.023 0.012 2 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU H 1 3 GLU QB 1.800 . 2.900 2.412 2.214 2.715 . 0 0 "[ . 1 . 2 ]" 1
2 2 3 GLU H 2 3 GLU QB 1.800 . 2.900 2.412 2.214 2.716 . 0 0 "[ . 1 . 2 ]" 1
3 1 4 LEU H 1 4 LEU QB 1.800 . 2.900 2.173 2.144 2.262 . 0 0 "[ . 1 . 2 ]" 1
4 2 4 LEU H 2 4 LEU QB 1.800 . 2.900 2.173 2.145 2.262 . 0 0 "[ . 1 . 2 ]" 1
5 1 5 GLU H 1 5 GLU QB 1.800 . 3.500 2.437 2.230 2.644 . 0 0 "[ . 1 . 2 ]" 1
6 2 5 GLU H 2 5 GLU QB 1.800 . 3.500 2.437 2.230 2.643 . 0 0 "[ . 1 . 2 ]" 1
7 1 6 LYS H 1 6 LYS QB 1.800 . 2.900 2.376 2.211 2.658 . 0 0 "[ . 1 . 2 ]" 1
8 2 6 LYS H 2 6 LYS QB 1.800 . 2.900 2.376 2.211 2.659 . 0 0 "[ . 1 . 2 ]" 1
9 1 6 LYS H 1 6 LYS QD 1.800 . 5.000 3.992 2.631 4.843 . 0 0 "[ . 1 . 2 ]" 1
10 2 6 LYS H 2 6 LYS QD 1.800 . 5.000 3.992 2.631 4.843 . 0 0 "[ . 1 . 2 ]" 1
11 1 7 ALA H 1 7 ALA MB 1.800 . 2.900 2.125 2.088 2.181 . 0 0 "[ . 1 . 2 ]" 1
12 2 7 ALA H 2 7 ALA MB 1.800 . 2.900 2.125 2.088 2.182 . 0 0 "[ . 1 . 2 ]" 1
13 1 8 MET HA 1 8 MET ME 1.800 . 4.200 2.893 2.326 3.504 . 0 0 "[ . 1 . 2 ]" 1
14 2 8 MET HA 2 8 MET ME 1.800 . 4.200 2.893 2.327 3.505 . 0 0 "[ . 1 . 2 ]" 1
15 1 8 MET H 1 8 MET QB 1.800 . 2.900 2.187 2.090 2.468 . 0 0 "[ . 1 . 2 ]" 1
16 2 8 MET H 2 8 MET QB 1.800 . 2.900 2.187 2.091 2.468 . 0 0 "[ . 1 . 2 ]" 1
17 1 9 VAL H 1 9 VAL HB 1.800 . 2.900 2.689 2.588 2.832 . 0 0 "[ . 1 . 2 ]" 1
18 2 9 VAL H 2 9 VAL HB 1.800 . 2.900 2.688 2.588 2.832 . 0 0 "[ . 1 . 2 ]" 1
19 1 10 ALA H 1 10 ALA MB 1.800 . 2.900 2.224 2.205 2.245 . 0 0 "[ . 1 . 2 ]" 1
20 2 10 ALA H 2 10 ALA MB 1.800 . 2.900 2.225 2.206 2.246 . 0 0 "[ . 1 . 2 ]" 1
21 1 11 LEU H 1 11 LEU QB 1.800 . 2.900 2.294 2.131 2.484 . 0 0 "[ . 1 . 2 ]" 1
22 2 11 LEU H 2 11 LEU QB 1.800 . 2.900 2.294 2.132 2.483 . 0 0 "[ . 1 . 2 ]" 1
23 1 12 ILE H 1 12 ILE HB 1.800 . 3.500 2.522 2.340 2.717 . 0 0 "[ . 1 . 2 ]" 1
24 2 12 ILE H 2 12 ILE HB 1.800 . 3.500 2.522 2.339 2.716 . 0 0 "[ . 1 . 2 ]" 1
25 1 13 ASP H 1 13 ASP QB 1.800 . 2.900 2.307 2.178 2.652 . 0 0 "[ . 1 . 2 ]" 1
26 2 13 ASP H 2 13 ASP QB 1.800 . 2.900 2.307 2.178 2.652 . 0 0 "[ . 1 . 2 ]" 1
27 1 14 VAL H 1 14 VAL HA 1.800 . 2.900 2.913 2.903 2.924 0.024 1 0 "[ . 1 . 2 ]" 1
28 2 14 VAL H 2 14 VAL HA 1.800 . 2.900 2.914 2.904 2.925 0.025 1 0 "[ . 1 . 2 ]" 1
29 1 14 VAL H 1 14 VAL HB 1.800 . 2.900 2.462 2.385 2.547 . 0 0 "[ . 1 . 2 ]" 1
30 2 14 VAL H 2 14 VAL HB 1.800 . 2.900 2.462 2.385 2.545 . 0 0 "[ . 1 . 2 ]" 1
31 1 15 PHE H 1 15 PHE QB 1.800 . 2.900 2.309 2.289 2.327 . 0 0 "[ . 1 . 2 ]" 1
32 2 15 PHE H 2 15 PHE QB 1.800 . 2.900 2.309 2.289 2.328 . 0 0 "[ . 1 . 2 ]" 1
33 1 15 PHE H 1 15 PHE QD 1.800 . 5.000 4.224 4.215 4.239 . 0 0 "[ . 1 . 2 ]" 1
34 2 15 PHE H 2 15 PHE QD 1.800 . 5.000 4.224 4.214 4.239 . 0 0 "[ . 1 . 2 ]" 1
35 1 16 HIS H 1 16 HIS QB 1.800 . 3.500 2.298 2.250 2.421 . 0 0 "[ . 1 . 2 ]" 1
36 2 16 HIS H 2 16 HIS QB 1.800 . 3.500 2.298 2.250 2.421 . 0 0 "[ . 1 . 2 ]" 1
37 1 17 GLN H 1 17 GLN QB 1.800 . 2.900 2.265 2.206 2.416 . 0 0 "[ . 1 . 2 ]" 1
38 2 17 GLN H 2 17 GLN QB 1.800 . 2.900 2.265 2.207 2.416 . 0 0 "[ . 1 . 2 ]" 1
39 1 18 TYR H 1 18 TYR HA 1.800 . 2.900 2.893 2.888 2.902 0.002 16 0 "[ . 1 . 2 ]" 1
40 2 18 TYR H 2 18 TYR HA 1.800 . 2.900 2.894 2.887 2.903 0.003 16 0 "[ . 1 . 2 ]" 1
41 1 18 TYR H 1 18 TYR QB 1.800 . 2.900 2.287 2.253 2.334 . 0 0 "[ . 1 . 2 ]" 1
42 2 18 TYR H 2 18 TYR QB 1.800 . 2.900 2.287 2.253 2.335 . 0 0 "[ . 1 . 2 ]" 1
43 1 21 ARG H 1 21 ARG QB 1.800 . 3.500 2.468 2.238 2.831 . 0 0 "[ . 1 . 2 ]" 1
44 2 21 ARG H 2 21 ARG QB 1.800 . 3.500 2.469 2.238 2.831 . 0 0 "[ . 1 . 2 ]" 1
45 1 24 ASP H 1 24 ASP QB 1.800 . 3.500 2.367 2.261 2.556 . 0 0 "[ . 1 . 2 ]" 1
46 2 24 ASP H 2 24 ASP QB 1.800 . 3.500 2.367 2.261 2.555 . 0 0 "[ . 1 . 2 ]" 1
47 1 25 LYS H 1 25 LYS QB 1.800 . 2.900 2.532 2.289 2.955 0.055 13 0 "[ . 1 . 2 ]" 1
48 2 25 LYS H 2 25 LYS QB 1.800 . 2.900 2.532 2.289 2.955 0.055 13 0 "[ . 1 . 2 ]" 1
49 1 26 HIS H 1 26 HIS QB 1.800 . 2.900 2.763 2.394 2.969 0.069 12 0 "[ . 1 . 2 ]" 1
50 2 26 HIS H 2 26 HIS QB 1.800 . 2.900 2.763 2.394 2.969 0.069 12 0 "[ . 1 . 2 ]" 1
51 1 27 LYS H 1 27 LYS HA 1.800 . 2.900 2.986 2.979 2.991 0.091 19 0 "[ . 1 . 2 ]" 1
52 2 27 LYS H 2 27 LYS HA 1.800 . 2.900 2.986 2.979 2.991 0.091 19 0 "[ . 1 . 2 ]" 1
53 1 27 LYS H 1 27 LYS QB 1.800 . 2.900 2.713 2.581 3.048 0.148 10 0 "[ . 1 . 2 ]" 1
54 2 27 LYS H 2 27 LYS QB 1.800 . 2.900 2.713 2.581 3.049 0.149 10 0 "[ . 1 . 2 ]" 1
55 1 28 LEU HA 1 28 LEU QD 1.800 . 3.300 2.179 2.113 2.264 . 0 0 "[ . 1 . 2 ]" 1
56 2 28 LEU HA 2 28 LEU QD 1.800 . 3.300 2.180 2.114 2.264 . 0 0 "[ . 1 . 2 ]" 1
57 1 28 LEU H 1 28 LEU QB 1.800 . 3.500 2.525 2.415 2.553 . 0 0 "[ . 1 . 2 ]" 1
58 2 28 LEU H 2 28 LEU QB 1.800 . 3.500 2.525 2.415 2.554 . 0 0 "[ . 1 . 2 ]" 1
59 1 28 LEU H 1 28 LEU QD 1.800 . 4.200 3.913 3.636 3.965 . 0 0 "[ . 1 . 2 ]" 1
60 2 28 LEU H 2 28 LEU QD 1.800 . 4.200 3.913 3.636 3.964 . 0 0 "[ . 1 . 2 ]" 1
61 1 29 LYS H 1 29 LYS QB 1.800 . 3.500 2.414 2.337 2.615 . 0 0 "[ . 1 . 2 ]" 1
62 2 29 LYS H 2 29 LYS QB 1.800 . 3.500 2.414 2.337 2.615 . 0 0 "[ . 1 . 2 ]" 1
63 1 30 LYS H 1 30 LYS QB 1.800 . 2.900 2.545 2.344 2.723 . 0 0 "[ . 1 . 2 ]" 1
64 2 30 LYS H 2 30 LYS QB 1.800 . 2.900 2.544 2.343 2.723 . 0 0 "[ . 1 . 2 ]" 1
65 1 31 SER H 1 31 SER HA 1.800 . 2.900 2.823 2.810 2.843 . 0 0 "[ . 1 . 2 ]" 1
66 2 31 SER H 2 31 SER HA 1.800 . 2.900 2.823 2.810 2.842 . 0 0 "[ . 1 . 2 ]" 1
67 1 31 SER H 1 31 SER QB 1.800 . 2.900 2.418 2.190 2.674 . 0 0 "[ . 1 . 2 ]" 1
68 2 31 SER H 2 31 SER QB 1.800 . 2.900 2.418 2.190 2.675 . 0 0 "[ . 1 . 2 ]" 1
69 1 32 GLU H 1 32 GLU QB 1.800 . 3.500 2.430 2.269 2.620 . 0 0 "[ . 1 . 2 ]" 1
70 2 32 GLU H 2 32 GLU QB 1.800 . 3.500 2.431 2.269 2.620 . 0 0 "[ . 1 . 2 ]" 1
71 1 33 LEU HA 1 33 LEU QD 1.800 . 4.200 2.323 2.086 2.727 . 0 0 "[ . 1 . 2 ]" 1
72 2 33 LEU HA 2 33 LEU QD 1.800 . 4.200 2.323 2.085 2.727 . 0 0 "[ . 1 . 2 ]" 1
73 1 33 LEU H 1 33 LEU QB 1.800 . 3.500 2.227 2.159 2.282 . 0 0 "[ . 1 . 2 ]" 1
74 2 33 LEU H 2 33 LEU QB 1.800 . 3.500 2.227 2.158 2.282 . 0 0 "[ . 1 . 2 ]" 1
75 1 33 LEU H 1 33 LEU QD 1.800 . 5.000 3.754 3.671 3.786 . 0 0 "[ . 1 . 2 ]" 1
76 2 33 LEU H 2 33 LEU QD 1.800 . 5.000 3.754 3.670 3.786 . 0 0 "[ . 1 . 2 ]" 1
77 1 34 LYS H 1 34 LYS QB 1.800 . 3.500 2.282 2.182 2.414 . 0 0 "[ . 1 . 2 ]" 1
78 2 34 LYS H 2 34 LYS QB 1.800 . 3.500 2.282 2.181 2.414 . 0 0 "[ . 1 . 2 ]" 1
79 1 35 GLU H 1 35 GLU QB 1.800 . 3.500 2.436 2.256 2.628 . 0 0 "[ . 1 . 2 ]" 1
80 2 35 GLU H 2 35 GLU QB 1.800 . 3.500 2.436 2.256 2.627 . 0 0 "[ . 1 . 2 ]" 1
81 1 36 LEU HA 1 36 LEU QD 1.800 . 3.500 2.265 1.981 3.032 . 0 0 "[ . 1 . 2 ]" 1
82 2 36 LEU HA 2 36 LEU QD 1.800 . 3.500 2.265 1.981 3.031 . 0 0 "[ . 1 . 2 ]" 1
83 1 36 LEU H 1 36 LEU QB 1.800 . 3.500 2.233 2.080 2.301 . 0 0 "[ . 1 . 2 ]" 1
84 2 36 LEU H 2 36 LEU QB 1.800 . 3.500 2.234 2.081 2.301 . 0 0 "[ . 1 . 2 ]" 1
85 1 37 ILE HA 1 37 ILE MD 1.800 . 5.000 3.705 2.259 3.811 . 0 0 "[ . 1 . 2 ]" 1
86 2 37 ILE HA 2 37 ILE MD 1.800 . 5.000 3.705 2.259 3.811 . 0 0 "[ . 1 . 2 ]" 1
87 1 37 ILE H 1 37 ILE HB 1.800 . 3.500 2.509 2.321 2.686 . 0 0 "[ . 1 . 2 ]" 1
88 2 37 ILE H 2 37 ILE HB 1.800 . 3.500 2.509 2.320 2.686 . 0 0 "[ . 1 . 2 ]" 1
89 1 37 ILE H 1 37 ILE MD 1.800 . 6.000 3.513 3.440 3.573 . 0 0 "[ . 1 . 2 ]" 1
90 2 37 ILE H 2 37 ILE MD 1.800 . 6.000 3.513 3.439 3.572 . 0 0 "[ . 1 . 2 ]" 1
91 1 38 ASN H 1 38 ASN QB 1.800 . 3.500 2.348 2.248 2.622 . 0 0 "[ . 1 . 2 ]" 1
92 2 38 ASN H 2 38 ASN QB 1.800 . 3.500 2.348 2.248 2.622 . 0 0 "[ . 1 . 2 ]" 1
93 1 39 ASN H 1 39 ASN QB 1.800 . 3.500 2.423 2.294 2.589 . 0 0 "[ . 1 . 2 ]" 1
94 2 39 ASN H 2 39 ASN QB 1.800 . 3.500 2.423 2.293 2.589 . 0 0 "[ . 1 . 2 ]" 1
95 1 40 GLU H 1 40 GLU QB 1.800 . 3.500 2.463 2.304 2.578 . 0 0 "[ . 1 . 2 ]" 1
96 2 40 GLU H 2 40 GLU QB 1.800 . 3.500 2.463 2.304 2.577 . 0 0 "[ . 1 . 2 ]" 1
97 1 41 LEU HA 1 41 LEU QD 1.800 . 3.300 2.190 1.972 2.267 . 0 0 "[ . 1 . 2 ]" 1
98 2 41 LEU HA 2 41 LEU QD 1.800 . 3.300 2.190 1.972 2.267 . 0 0 "[ . 1 . 2 ]" 1
99 1 41 LEU H 1 41 LEU QB 1.800 . 3.500 2.486 2.347 2.672 . 0 0 "[ . 1 . 2 ]" 1
100 2 41 LEU H 2 41 LEU QB 1.800 . 3.500 2.486 2.347 2.671 . 0 0 "[ . 1 . 2 ]" 1
101 1 41 LEU H 1 41 LEU QD 1.800 . 5.000 3.176 2.581 3.633 . 0 0 "[ . 1 . 2 ]" 1
102 2 41 LEU H 2 41 LEU QD 1.800 . 5.000 3.176 2.582 3.633 . 0 0 "[ . 1 . 2 ]" 1
103 1 42 SER H 1 42 SER QB 1.800 . 2.900 2.350 2.137 2.739 . 0 0 "[ . 1 . 2 ]" 1
104 2 42 SER H 2 42 SER QB 1.800 . 2.900 2.350 2.138 2.739 . 0 0 "[ . 1 . 2 ]" 1
105 1 44 PHE H 1 44 PHE QB 1.800 . 3.500 2.359 2.082 2.497 . 0 0 "[ . 1 . 2 ]" 1
106 2 44 PHE H 2 44 PHE QB 1.800 . 3.500 2.359 2.082 2.498 . 0 0 "[ . 1 . 2 ]" 1
107 1 44 PHE H 1 44 PHE QD 1.800 . 5.000 2.368 1.993 3.591 . 0 0 "[ . 1 . 2 ]" 1
108 2 44 PHE H 2 44 PHE QD 1.800 . 5.000 2.367 1.993 3.590 . 0 0 "[ . 1 . 2 ]" 1
109 1 45 LEU H 1 45 LEU QB 1.800 . 2.900 2.148 2.051 2.281 . 0 0 "[ . 1 . 2 ]" 1
110 2 45 LEU H 2 45 LEU QB 1.800 . 2.900 2.148 2.051 2.282 . 0 0 "[ . 1 . 2 ]" 1
111 1 46 GLU H 1 46 GLU HA 1.800 . 2.900 2.899 2.806 2.934 0.034 2 0 "[ . 1 . 2 ]" 1
112 2 46 GLU H 2 46 GLU HA 1.800 . 2.900 2.899 2.806 2.934 0.034 2 0 "[ . 1 . 2 ]" 1
113 1 46 GLU H 1 46 GLU QB 1.800 . 2.900 2.329 2.227 2.566 . 0 0 "[ . 1 . 2 ]" 1
114 2 46 GLU H 2 46 GLU QB 1.800 . 2.900 2.329 2.228 2.568 . 0 0 "[ . 1 . 2 ]" 1
115 1 47 GLU H 1 47 GLU QB 1.800 . 3.500 2.421 2.293 2.620 . 0 0 "[ . 1 . 2 ]" 1
116 2 47 GLU H 2 47 GLU QB 1.800 . 3.500 2.421 2.293 2.620 . 0 0 "[ . 1 . 2 ]" 1
117 1 50 GLU H 1 50 GLU QB 1.800 . 2.900 2.459 2.263 2.658 . 0 0 "[ . 1 . 2 ]" 1
118 2 50 GLU H 2 50 GLU QB 1.800 . 2.900 2.459 2.264 2.658 . 0 0 "[ . 1 . 2 ]" 1
119 1 51 GLN H 1 51 GLN QB 1.800 . 3.500 2.434 2.248 2.680 . 0 0 "[ . 1 . 2 ]" 1
120 2 51 GLN H 2 51 GLN QB 1.800 . 3.500 2.434 2.249 2.680 . 0 0 "[ . 1 . 2 ]" 1
121 1 52 GLU H 1 52 GLU QB 1.800 . 3.500 2.471 2.290 2.705 . 0 0 "[ . 1 . 2 ]" 1
122 2 52 GLU H 2 52 GLU QB 1.800 . 3.500 2.471 2.290 2.705 . 0 0 "[ . 1 . 2 ]" 1
123 1 53 VAL H 1 53 VAL HB 1.800 . 3.500 2.573 2.359 3.625 0.125 7 0 "[ . 1 . 2 ]" 1
124 2 53 VAL H 2 53 VAL HB 1.800 . 3.500 2.573 2.358 3.624 0.124 7 0 "[ . 1 . 2 ]" 1
125 1 54 VAL H 1 54 VAL HB 1.800 . 3.500 2.483 2.424 2.600 . 0 0 "[ . 1 . 2 ]" 1
126 2 54 VAL H 2 54 VAL HB 1.800 . 3.500 2.483 2.425 2.601 . 0 0 "[ . 1 . 2 ]" 1
127 1 55 ASP H 1 55 ASP QB 1.800 . 3.500 2.346 2.246 2.478 . 0 0 "[ . 1 . 2 ]" 1
128 2 55 ASP H 2 55 ASP QB 1.800 . 3.500 2.346 2.246 2.478 . 0 0 "[ . 1 . 2 ]" 1
129 1 56 LYS H 1 56 LYS QB 1.800 . 3.500 2.371 2.280 2.519 . 0 0 "[ . 1 . 2 ]" 1
130 2 56 LYS H 2 56 LYS QB 1.800 . 3.500 2.371 2.280 2.519 . 0 0 "[ . 1 . 2 ]" 1
131 1 57 VAL H 1 57 VAL HB 1.800 . 3.500 2.414 2.313 2.494 . 0 0 "[ . 1 . 2 ]" 1
132 2 57 VAL H 2 57 VAL HB 1.800 . 3.500 2.414 2.312 2.495 . 0 0 "[ . 1 . 2 ]" 1
133 1 58 MET H 1 58 MET QB 1.800 . 3.500 2.408 2.222 2.560 . 0 0 "[ . 1 . 2 ]" 1
134 2 58 MET H 2 58 MET QB 1.800 . 3.500 2.407 2.221 2.560 . 0 0 "[ . 1 . 2 ]" 1
135 1 59 GLU H 1 59 GLU QB 1.800 . 3.500 2.371 2.312 2.515 . 0 0 "[ . 1 . 2 ]" 1
136 2 59 GLU H 2 59 GLU QB 1.800 . 3.500 2.371 2.312 2.515 . 0 0 "[ . 1 . 2 ]" 1
137 1 60 THR H 1 60 THR HB 1.800 . 3.500 2.919 2.573 3.605 0.105 20 0 "[ . 1 . 2 ]" 1
138 2 60 THR H 2 60 THR HB 1.800 . 3.500 2.919 2.573 3.604 0.104 20 0 "[ . 1 . 2 ]" 1
139 1 62 ASP H 1 62 ASP QB 1.800 . 3.500 2.343 2.237 2.508 . 0 0 "[ . 1 . 2 ]" 1
140 2 62 ASP H 2 62 ASP QB 1.800 . 3.500 2.343 2.237 2.508 . 0 0 "[ . 1 . 2 ]" 1
141 1 63 GLU H 1 63 GLU HA 1.800 . 3.000 2.987 2.982 2.991 . 0 0 "[ . 1 . 2 ]" 1
142 2 63 GLU H 2 63 GLU HA 1.800 . 3.000 2.989 2.984 2.992 . 0 0 "[ . 1 . 2 ]" 1
143 1 63 GLU H 1 63 GLU QB 1.800 . 3.000 2.329 2.298 2.358 . 0 0 "[ . 1 . 2 ]" 1
144 2 63 GLU H 2 63 GLU QB 1.800 . 3.000 2.328 2.299 2.356 . 0 0 "[ . 1 . 2 ]" 1
145 1 63 GLU H 1 63 GLU QG 1.800 . 3.000 2.771 2.700 2.866 . 0 0 "[ . 1 . 2 ]" 1
146 2 63 GLU H 2 63 GLU QG 1.800 . 3.000 2.771 2.700 2.867 . 0 0 "[ . 1 . 2 ]" 1
147 1 64 ASP H 1 64 ASP HA 1.800 . 3.000 2.776 2.767 2.789 . 0 0 "[ . 1 . 2 ]" 1
148 2 64 ASP H 2 64 ASP HA 1.800 . 3.000 2.771 2.761 2.779 . 0 0 "[ . 1 . 2 ]" 1
149 1 64 ASP H 1 64 ASP QB 1.800 . 3.000 2.314 2.218 2.515 . 0 0 "[ . 1 . 2 ]" 1
150 2 64 ASP H 2 64 ASP QB 1.800 . 3.000 2.315 2.218 2.518 . 0 0 "[ . 1 . 2 ]" 1
151 1 66 ASP H 1 66 ASP QB 1.800 . 3.000 2.654 2.391 2.974 . 0 0 "[ . 1 . 2 ]" 1
152 2 66 ASP H 2 66 ASP QB 1.800 . 3.000 2.653 2.391 2.973 . 0 0 "[ . 1 . 2 ]" 1
153 1 68 GLU H 1 68 GLU QB 1.800 . 3.000 2.856 2.686 3.131 0.131 16 0 "[ . 1 . 2 ]" 1
154 2 68 GLU H 2 68 GLU QB 1.800 . 3.000 2.855 2.686 3.129 0.129 16 0 "[ . 1 . 2 ]" 1
155 1 68 GLU HA 1 68 GLU QG 1.800 . 5.000 2.616 2.254 3.512 . 0 0 "[ . 1 . 2 ]" 1
156 2 68 GLU HA 2 68 GLU QG 1.800 . 5.000 2.616 2.254 3.511 . 0 0 "[ . 1 . 2 ]" 1
157 1 69 CYS H 1 69 CYS HA 1.800 . 3.000 2.994 2.987 3.000 . 0 0 "[ . 1 . 2 ]" 1
158 2 69 CYS H 2 69 CYS HA 1.800 . 3.000 2.994 2.987 2.999 . 0 0 "[ . 1 . 2 ]" 1
159 1 69 CYS H 1 69 CYS QB 1.800 . 2.900 2.607 2.301 2.769 . 0 0 "[ . 1 . 2 ]" 1
160 2 69 CYS H 2 69 CYS QB 1.800 . 2.900 2.607 2.300 2.768 . 0 0 "[ . 1 . 2 ]" 1
161 1 70 ASP H 1 70 ASP HA 1.800 . 3.000 2.937 2.929 2.945 . 0 0 "[ . 1 . 2 ]" 1
162 2 70 ASP H 2 70 ASP HA 1.800 . 3.000 2.937 2.928 2.945 . 0 0 "[ . 1 . 2 ]" 1
163 1 70 ASP H 1 70 ASP QB 1.800 . 3.000 2.451 2.298 2.770 . 0 0 "[ . 1 . 2 ]" 1
164 2 70 ASP H 2 70 ASP QB 1.800 . 3.000 2.451 2.298 2.771 . 0 0 "[ . 1 . 2 ]" 1
165 1 71 PHE H 1 71 PHE QB 1.800 . 3.000 2.284 2.244 2.306 . 0 0 "[ . 1 . 2 ]" 1
166 2 71 PHE H 2 71 PHE QB 1.800 . 3.000 2.284 2.243 2.306 . 0 0 "[ . 1 . 2 ]" 1
167 1 71 PHE H 1 71 PHE QD 1.800 . 6.000 4.216 4.193 4.229 . 0 0 "[ . 1 . 2 ]" 1
168 2 71 PHE H 2 71 PHE QD 1.800 . 6.000 4.216 4.193 4.229 . 0 0 "[ . 1 . 2 ]" 1
169 1 71 PHE HA 1 71 PHE QD 1.800 . 6.000 3.099 3.070 3.125 . 0 0 "[ . 1 . 2 ]" 1
170 2 71 PHE HA 2 71 PHE QD 1.800 . 6.000 3.098 3.070 3.125 . 0 0 "[ . 1 . 2 ]" 1
171 1 72 GLN H 1 72 GLN HA 1.800 . 2.900 2.855 2.822 2.887 . 0 0 "[ . 1 . 2 ]" 1
172 2 72 GLN H 2 72 GLN HA 1.800 . 2.900 2.855 2.822 2.886 . 0 0 "[ . 1 . 2 ]" 1
173 1 72 GLN H 1 72 GLN QB 1.800 . 2.900 2.336 2.229 2.599 . 0 0 "[ . 1 . 2 ]" 1
174 2 72 GLN H 2 72 GLN QB 1.800 . 2.900 2.336 2.228 2.598 . 0 0 "[ . 1 . 2 ]" 1
175 1 72 GLN HA 1 72 GLN QE 1.800 . 6.000 4.035 2.770 4.874 . 0 0 "[ . 1 . 2 ]" 1
176 2 72 GLN HA 2 72 GLN QE 1.800 . 6.000 4.035 2.770 4.873 . 0 0 "[ . 1 . 2 ]" 1
177 1 72 GLN HA 1 72 GLN QG 1.800 . 3.500 2.490 2.266 3.124 . 0 0 "[ . 1 . 2 ]" 1
178 2 72 GLN HA 2 72 GLN QG 1.800 . 3.500 2.491 2.266 3.125 . 0 0 "[ . 1 . 2 ]" 1
179 1 73 GLU H 1 73 GLU HA 1.800 . 2.900 2.904 2.888 2.908 0.008 15 0 "[ . 1 . 2 ]" 1
180 2 73 GLU H 2 73 GLU HA 1.800 . 2.900 2.904 2.888 2.909 0.009 16 0 "[ . 1 . 2 ]" 1
181 1 73 GLU H 1 73 GLU QB 1.800 . 3.000 2.429 2.239 2.647 . 0 0 "[ . 1 . 2 ]" 1
182 2 73 GLU H 2 73 GLU QB 1.800 . 3.000 2.429 2.239 2.648 . 0 0 "[ . 1 . 2 ]" 1
183 1 73 GLU H 1 73 GLU QG 1.800 . 3.500 2.356 1.852 3.476 . 0 0 "[ . 1 . 2 ]" 1
184 2 73 GLU H 2 73 GLU QG 1.800 . 3.500 2.356 1.852 3.476 . 0 0 "[ . 1 . 2 ]" 1
185 1 73 GLU HA 1 73 GLU QG 1.800 . 3.500 2.502 2.290 2.865 . 0 0 "[ . 1 . 2 ]" 1
186 2 73 GLU HA 2 73 GLU QG 1.800 . 3.500 2.502 2.290 2.865 . 0 0 "[ . 1 . 2 ]" 1
187 1 74 PHE H 1 74 PHE QB 1.800 . 3.500 2.249 2.175 2.293 . 0 0 "[ . 1 . 2 ]" 1
188 2 74 PHE H 2 74 PHE QB 1.800 . 3.500 2.249 2.175 2.293 . 0 0 "[ . 1 . 2 ]" 1
189 1 75 MET H 1 75 MET QB 1.800 . 3.500 2.264 2.159 2.587 . 0 0 "[ . 1 . 2 ]" 1
190 2 75 MET H 2 75 MET QB 1.800 . 3.500 2.264 2.160 2.586 . 0 0 "[ . 1 . 2 ]" 1
191 1 76 ALA H 1 76 ALA MB 1.800 . 3.500 2.216 2.183 2.240 . 0 0 "[ . 1 . 2 ]" 1
192 2 76 ALA H 2 76 ALA MB 1.800 . 3.500 2.215 2.184 2.240 . 0 0 "[ . 1 . 2 ]" 1
193 1 77 PHE H 1 77 PHE QB 1.800 . 3.500 2.288 2.187 2.459 . 0 0 "[ . 1 . 2 ]" 1
194 2 77 PHE H 2 77 PHE QB 1.800 . 3.500 2.288 2.187 2.458 . 0 0 "[ . 1 . 2 ]" 1
195 1 78 VAL H 1 78 VAL HA 1.800 . 2.900 2.883 2.860 2.897 . 0 0 "[ . 1 . 2 ]" 1
196 2 78 VAL H 2 78 VAL HA 1.800 . 2.900 2.883 2.860 2.897 . 0 0 "[ . 1 . 2 ]" 1
197 1 78 VAL H 1 78 VAL HB 1.800 . 2.900 2.361 2.302 2.418 . 0 0 "[ . 1 . 2 ]" 1
198 2 78 VAL H 2 78 VAL HB 1.800 . 2.900 2.361 2.302 2.418 . 0 0 "[ . 1 . 2 ]" 1
199 1 79 SER H 1 79 SER HA 1.800 . 2.900 2.886 2.871 2.896 . 0 0 "[ . 1 . 2 ]" 1
200 2 79 SER H 2 79 SER HA 1.800 . 2.900 2.885 2.869 2.895 . 0 0 "[ . 1 . 2 ]" 1
201 1 79 SER H 1 79 SER QB 1.800 . 2.900 2.328 2.194 2.696 . 0 0 "[ . 1 . 2 ]" 1
202 2 79 SER H 2 79 SER QB 1.800 . 2.900 2.328 2.194 2.696 . 0 0 "[ . 1 . 2 ]" 1
203 1 80 MET H 1 80 MET HA 1.800 . 2.900 2.787 2.777 2.807 . 0 0 "[ . 1 . 2 ]" 1
204 2 80 MET H 2 80 MET HA 1.800 . 2.900 2.787 2.777 2.808 . 0 0 "[ . 1 . 2 ]" 1
205 1 80 MET H 1 80 MET QB 1.800 . 2.900 2.438 2.206 2.628 . 0 0 "[ . 1 . 2 ]" 1
206 2 80 MET H 2 80 MET QB 1.800 . 2.900 2.438 2.207 2.628 . 0 0 "[ . 1 . 2 ]" 1
207 1 81 VAL H 1 81 VAL HA 1.800 . 2.900 2.882 2.816 2.911 0.011 6 0 "[ . 1 . 2 ]" 1
208 2 81 VAL H 2 81 VAL HA 1.800 . 2.900 2.882 2.817 2.911 0.011 6 0 "[ . 1 . 2 ]" 1
209 1 81 VAL H 1 81 VAL HB 1.800 . 2.900 2.517 2.431 2.639 . 0 0 "[ . 1 . 2 ]" 1
210 2 81 VAL H 2 81 VAL HB 1.800 . 2.900 2.518 2.431 2.639 . 0 0 "[ . 1 . 2 ]" 1
211 1 82 THR H 1 82 THR HB 1.800 . 3.500 2.888 2.592 3.580 0.080 6 0 "[ . 1 . 2 ]" 1
212 2 82 THR H 2 82 THR HB 1.800 . 3.500 2.889 2.592 3.580 0.080 6 0 "[ . 1 . 2 ]" 1
213 1 84 ALA H 1 84 ALA MB 1.800 . 2.900 2.242 2.188 2.278 . 0 0 "[ . 1 . 2 ]" 1
214 2 84 ALA H 2 84 ALA MB 1.800 . 2.900 2.242 2.189 2.278 . 0 0 "[ . 1 . 2 ]" 1
215 1 89 PHE H 1 89 PHE HA 1.800 . 2.900 2.853 2.803 2.980 0.080 12 0 "[ . 1 . 2 ]" 1
216 2 89 PHE H 2 89 PHE HA 1.800 . 2.900 2.847 2.802 2.975 0.075 12 0 "[ . 1 . 2 ]" 1
217 1 89 PHE H 1 89 PHE QB 1.800 . 3.500 2.590 2.115 2.789 . 0 0 "[ . 1 . 2 ]" 1
218 2 89 PHE H 2 89 PHE QB 1.800 . 3.500 2.589 2.114 2.789 . 0 0 "[ . 1 . 2 ]" 1
219 1 90 GLU H 1 90 GLU HA 1.800 . 2.900 2.955 2.901 2.979 0.079 4 0 "[ . 1 . 2 ]" 1
220 2 90 GLU H 2 90 GLU HA 1.800 . 2.900 2.954 2.901 2.980 0.080 4 0 "[ . 1 . 2 ]" 1
221 1 90 GLU H 1 90 GLU QB 1.800 . 2.900 2.390 2.284 2.598 . 0 0 "[ . 1 . 2 ]" 1
222 2 90 GLU H 2 90 GLU QB 1.800 . 2.900 2.390 2.284 2.599 . 0 0 "[ . 1 . 2 ]" 1
223 1 92 GLU H 1 92 GLU QB 1.800 . 3.500 2.563 2.247 3.397 . 0 0 "[ . 1 . 2 ]" 1
224 2 92 GLU H 2 92 GLU QB 1.800 . 3.500 2.563 2.248 3.396 . 0 0 "[ . 1 . 2 ]" 1
225 1 2 SER H 1 3 GLU H 1.800 . 6.000 4.647 4.599 4.684 . 0 0 "[ . 1 . 2 ]" 1
226 2 2 SER H 2 3 GLU H 1.800 . 6.000 4.647 4.598 4.684 . 0 0 "[ . 1 . 2 ]" 1
227 1 2 SER HA 1 3 GLU H 1.800 . 2.900 2.502 2.447 2.550 . 0 0 "[ . 1 . 2 ]" 1
228 2 2 SER HA 2 3 GLU H 1.800 . 2.900 2.504 2.448 2.551 . 0 0 "[ . 1 . 2 ]" 1
229 1 3 GLU H 1 4 LEU H 1.800 . 2.900 2.714 2.640 2.799 . 0 0 "[ . 1 . 2 ]" 1
230 2 3 GLU H 2 4 LEU H 1.800 . 2.900 2.713 2.639 2.798 . 0 0 "[ . 1 . 2 ]" 1
231 1 3 GLU HA 1 4 LEU H 1.800 . 4.200 3.534 3.520 3.551 . 0 0 "[ . 1 . 2 ]" 1
232 2 3 GLU HA 2 4 LEU H 1.800 . 4.200 3.533 3.520 3.551 . 0 0 "[ . 1 . 2 ]" 1
233 1 3 GLU QB 1 4 LEU H 1.800 . 3.500 2.674 2.578 2.724 . 0 0 "[ . 1 . 2 ]" 1
234 2 3 GLU QB 2 4 LEU H 1.800 . 3.500 2.673 2.577 2.724 . 0 0 "[ . 1 . 2 ]" 1
235 1 4 LEU H 1 5 GLU H 1.800 . 2.900 2.824 2.705 2.903 0.003 13 0 "[ . 1 . 2 ]" 1
236 2 4 LEU H 2 5 GLU H 1.800 . 2.900 2.825 2.704 2.903 0.003 13 0 "[ . 1 . 2 ]" 1
237 1 4 LEU HA 1 5 GLU H 1.800 . 4.200 3.593 3.552 3.606 . 0 0 "[ . 1 . 2 ]" 1
238 2 4 LEU HA 2 5 GLU H 1.800 . 4.200 3.592 3.551 3.605 . 0 0 "[ . 1 . 2 ]" 1
239 1 4 LEU QB 1 5 GLU H 1.800 . 2.900 2.407 2.274 2.578 . 0 0 "[ . 1 . 2 ]" 1
240 2 4 LEU QB 2 5 GLU H 1.800 . 2.900 2.407 2.274 2.577 . 0 0 "[ . 1 . 2 ]" 1
241 1 4 LEU QD 1 5 GLU H 1.800 . 6.000 3.405 3.240 3.745 . 0 0 "[ . 1 . 2 ]" 1
242 2 4 LEU QD 2 5 GLU H 1.800 . 6.000 3.405 3.240 3.745 . 0 0 "[ . 1 . 2 ]" 1
243 1 5 GLU H 1 6 LYS H 1.800 . 2.900 2.840 2.765 2.884 . 0 0 "[ . 1 . 2 ]" 1
244 2 5 GLU H 2 6 LYS H 1.800 . 2.900 2.841 2.767 2.884 . 0 0 "[ . 1 . 2 ]" 1
245 1 5 GLU HA 1 6 LYS H 1.800 . 5.000 3.554 3.546 3.563 . 0 0 "[ . 1 . 2 ]" 1
246 2 5 GLU HA 2 6 LYS H 1.800 . 5.000 3.554 3.547 3.563 . 0 0 "[ . 1 . 2 ]" 1
247 1 5 GLU QB 1 6 LYS H 1.800 . 5.000 2.408 2.338 2.482 . 0 0 "[ . 1 . 2 ]" 1
248 2 5 GLU QB 2 6 LYS H 1.800 . 5.000 2.409 2.339 2.482 . 0 0 "[ . 1 . 2 ]" 1
249 1 6 LYS H 1 7 ALA H 1.800 . 2.900 2.834 2.804 2.882 . 0 0 "[ . 1 . 2 ]" 1
250 2 6 LYS H 2 7 ALA H 1.800 . 2.900 2.834 2.803 2.882 . 0 0 "[ . 1 . 2 ]" 1
251 1 6 LYS HA 1 7 ALA H 1.800 . 4.200 3.546 3.537 3.554 . 0 0 "[ . 1 . 2 ]" 1
252 2 6 LYS HA 2 7 ALA H 1.800 . 4.200 3.546 3.536 3.553 . 0 0 "[ . 1 . 2 ]" 1
253 1 6 LYS QB 1 7 ALA H 1.800 . 2.900 2.426 2.358 2.511 . 0 0 "[ . 1 . 2 ]" 1
254 2 6 LYS QB 2 7 ALA H 1.800 . 2.900 2.426 2.358 2.511 . 0 0 "[ . 1 . 2 ]" 1
255 1 7 ALA H 1 8 MET H 1.800 . 2.900 2.558 2.513 2.650 . 0 0 "[ . 1 . 2 ]" 1
256 2 7 ALA H 2 8 MET H 1.800 . 2.900 2.558 2.512 2.649 . 0 0 "[ . 1 . 2 ]" 1
257 1 7 ALA HA 1 8 MET H 1.800 . 5.000 3.538 3.515 3.584 . 0 0 "[ . 1 . 2 ]" 1
258 2 7 ALA HA 2 8 MET H 1.800 . 5.000 3.539 3.515 3.584 . 0 0 "[ . 1 . 2 ]" 1
259 1 8 MET H 1 9 VAL H 1.800 . 2.900 2.709 2.668 2.780 . 0 0 "[ . 1 . 2 ]" 1
260 2 8 MET H 2 9 VAL H 1.800 . 2.900 2.709 2.668 2.781 . 0 0 "[ . 1 . 2 ]" 1
261 1 8 MET QB 1 9 VAL H 1.800 . 5.000 2.493 2.330 2.628 . 0 0 "[ . 1 . 2 ]" 1
262 2 8 MET QB 2 9 VAL H 1.800 . 5.000 2.493 2.330 2.627 . 0 0 "[ . 1 . 2 ]" 1
263 1 9 VAL H 1 10 ALA H 1.800 . 2.900 2.613 2.536 2.689 . 0 0 "[ . 1 . 2 ]" 1
264 2 9 VAL H 2 10 ALA H 1.800 . 2.900 2.613 2.535 2.688 . 0 0 "[ . 1 . 2 ]" 1
265 1 9 VAL HA 1 10 ALA H 1.800 . 5.000 3.549 3.539 3.562 . 0 0 "[ . 1 . 2 ]" 1
266 2 9 VAL HA 2 10 ALA H 1.800 . 5.000 3.549 3.539 3.561 . 0 0 "[ . 1 . 2 ]" 1
267 1 9 VAL HB 1 10 ALA H 1.800 . 2.900 2.708 2.656 2.767 . 0 0 "[ . 1 . 2 ]" 1
268 2 9 VAL HB 2 10 ALA H 1.800 . 2.900 2.708 2.657 2.767 . 0 0 "[ . 1 . 2 ]" 1
269 1 9 VAL MG2 1 10 ALA H 1.800 . 6.000 3.649 3.473 3.756 . 0 0 "[ . 1 . 2 ]" 1
270 2 9 VAL MG2 2 10 ALA H 1.800 . 6.000 3.649 3.472 3.756 . 0 0 "[ . 1 . 2 ]" 1
271 1 9 VAL MG1 1 10 ALA H 1.800 . 5.000 3.786 3.661 3.914 . 0 0 "[ . 1 . 2 ]" 1
272 2 9 VAL MG1 2 10 ALA H 1.800 . 5.000 3.786 3.660 3.914 . 0 0 "[ . 1 . 2 ]" 1
273 1 10 ALA H 1 11 LEU H 1.800 . 2.900 2.791 2.770 2.817 . 0 0 "[ . 1 . 2 ]" 1
274 2 10 ALA H 2 11 LEU H 1.800 . 2.900 2.791 2.769 2.817 . 0 0 "[ . 1 . 2 ]" 1
275 1 10 ALA HA 1 11 LEU H 1.800 . 5.000 3.572 3.562 3.583 . 0 0 "[ . 1 . 2 ]" 1
276 2 10 ALA HA 2 11 LEU H 1.800 . 5.000 3.572 3.561 3.583 . 0 0 "[ . 1 . 2 ]" 1
277 1 10 ALA MB 1 11 LEU H 1.800 . 2.900 2.298 2.232 2.351 . 0 0 "[ . 1 . 2 ]" 1
278 2 10 ALA MB 2 11 LEU H 1.800 . 2.900 2.298 2.232 2.351 . 0 0 "[ . 1 . 2 ]" 1
279 1 11 LEU H 1 12 ILE H 1.800 . 2.900 2.937 2.910 2.972 0.072 3 0 "[ . 1 . 2 ]" 1
280 2 11 LEU H 2 12 ILE H 1.800 . 2.900 2.937 2.911 2.973 0.073 3 0 "[ . 1 . 2 ]" 1
281 1 11 LEU HA 1 12 ILE H 1.800 . 4.200 3.567 3.550 3.580 . 0 0 "[ . 1 . 2 ]" 1
282 2 11 LEU HA 2 12 ILE H 1.800 . 4.200 3.567 3.551 3.580 . 0 0 "[ . 1 . 2 ]" 1
283 1 12 ILE H 1 13 ASP H 1.800 . 2.900 2.699 2.530 2.889 . 0 0 "[ . 1 . 2 ]" 1
284 2 12 ILE H 2 13 ASP H 1.800 . 2.900 2.699 2.531 2.889 . 0 0 "[ . 1 . 2 ]" 1
285 1 12 ILE HA 1 13 ASP H 1.800 . 5.000 3.554 3.531 3.590 . 0 0 "[ . 1 . 2 ]" 1
286 2 12 ILE HA 2 13 ASP H 1.800 . 5.000 3.554 3.532 3.590 . 0 0 "[ . 1 . 2 ]" 1
287 1 12 ILE HB 1 13 ASP H 1.800 . 2.900 2.610 2.456 2.741 . 0 0 "[ . 1 . 2 ]" 1
288 2 12 ILE HB 2 13 ASP H 1.800 . 2.900 2.610 2.456 2.741 . 0 0 "[ . 1 . 2 ]" 1
289 1 13 ASP H 1 14 VAL H 1.800 . 2.900 2.852 2.671 2.953 0.053 9 0 "[ . 1 . 2 ]" 1
290 2 13 ASP H 2 14 VAL H 1.800 . 2.900 2.853 2.672 2.953 0.053 9 0 "[ . 1 . 2 ]" 1
291 1 13 ASP HA 1 14 VAL H 1.800 . 5.000 3.585 3.572 3.600 . 0 0 "[ . 1 . 2 ]" 1
292 2 13 ASP HA 2 14 VAL H 1.800 . 5.000 3.585 3.571 3.600 . 0 0 "[ . 1 . 2 ]" 1
293 1 13 ASP QB 1 14 VAL H 1.800 . 3.500 2.429 2.150 2.787 . 0 0 "[ . 1 . 2 ]" 1
294 2 13 ASP QB 2 14 VAL H 1.800 . 3.500 2.429 2.150 2.787 . 0 0 "[ . 1 . 2 ]" 1
295 1 14 VAL H 1 15 PHE H 1.800 . 2.900 2.650 2.552 2.727 . 0 0 "[ . 1 . 2 ]" 1
296 2 14 VAL H 2 15 PHE H 1.800 . 2.900 2.650 2.553 2.726 . 0 0 "[ . 1 . 2 ]" 1
297 1 14 VAL HA 1 15 PHE H 1.800 . 4.200 3.567 3.528 3.599 . 0 0 "[ . 1 . 2 ]" 1
298 2 14 VAL HA 2 15 PHE H 1.800 . 4.200 3.567 3.528 3.599 . 0 0 "[ . 1 . 2 ]" 1
299 1 14 VAL HB 1 15 PHE H 1.800 . 2.900 2.735 2.566 2.901 0.001 20 0 "[ . 1 . 2 ]" 1
300 2 14 VAL HB 2 15 PHE H 1.800 . 2.900 2.736 2.566 2.902 0.002 20 0 "[ . 1 . 2 ]" 1
301 1 14 VAL MG1 1 15 PHE H 1.800 . 3.500 3.414 3.247 3.519 0.019 11 0 "[ . 1 . 2 ]" 1
302 2 14 VAL MG1 2 15 PHE H 1.800 . 3.500 3.414 3.246 3.519 0.019 11 0 "[ . 1 . 2 ]" 1
303 1 15 PHE H 1 16 HIS H 1.800 . 5.000 2.665 2.555 2.800 . 0 0 "[ . 1 . 2 ]" 1
304 2 15 PHE H 2 16 HIS H 1.800 . 5.000 2.665 2.554 2.800 . 0 0 "[ . 1 . 2 ]" 1
305 1 15 PHE HA 1 16 HIS H 1.800 . 6.000 3.516 3.502 3.528 . 0 0 "[ . 1 . 2 ]" 1
306 2 15 PHE HA 2 16 HIS H 1.800 . 6.000 3.516 3.503 3.527 . 0 0 "[ . 1 . 2 ]" 1
307 1 15 PHE QB 1 16 HIS H 1.800 . 6.000 2.707 2.665 2.742 . 0 0 "[ . 1 . 2 ]" 1
308 2 15 PHE QB 2 16 HIS H 1.800 . 6.000 2.707 2.665 2.742 . 0 0 "[ . 1 . 2 ]" 1
309 1 16 HIS H 1 17 GLN H 1.800 . 3.500 2.446 2.410 2.536 . 0 0 "[ . 1 . 2 ]" 1
310 2 16 HIS H 2 17 GLN H 1.800 . 3.500 2.446 2.410 2.535 . 0 0 "[ . 1 . 2 ]" 1
311 1 16 HIS HA 1 17 GLN H 1.800 . 5.000 3.517 3.502 3.539 . 0 0 "[ . 1 . 2 ]" 1
312 2 16 HIS HA 2 17 GLN H 1.800 . 5.000 3.518 3.502 3.539 . 0 0 "[ . 1 . 2 ]" 1
313 1 16 HIS QB 1 17 GLN H 1.800 . 6.000 2.752 2.632 2.801 . 0 0 "[ . 1 . 2 ]" 1
314 2 16 HIS QB 2 17 GLN H 1.800 . 6.000 2.752 2.632 2.805 . 0 0 "[ . 1 . 2 ]" 1
315 1 17 GLN H 1 18 TYR H 1.800 . 2.900 2.885 2.858 2.912 0.012 6 0 "[ . 1 . 2 ]" 1
316 2 17 GLN H 2 18 TYR H 1.800 . 2.900 2.885 2.858 2.912 0.012 6 0 "[ . 1 . 2 ]" 1
317 1 17 GLN HA 1 18 TYR H 1.800 . 4.200 3.577 3.570 3.583 . 0 0 "[ . 1 . 2 ]" 1
318 2 17 GLN HA 2 18 TYR H 1.800 . 4.200 3.577 3.569 3.582 . 0 0 "[ . 1 . 2 ]" 1
319 1 17 GLN QB 1 18 TYR H 1.800 . 3.500 2.479 2.448 2.562 . 0 0 "[ . 1 . 2 ]" 1
320 2 17 GLN QB 2 18 TYR H 1.800 . 3.500 2.478 2.447 2.561 . 0 0 "[ . 1 . 2 ]" 1
321 1 17 GLN QB 1 18 TYR QD 1.800 . 5.000 2.473 2.332 2.723 . 0 0 "[ . 1 . 2 ]" 1
322 2 17 GLN QB 2 18 TYR QD 1.800 . 5.000 2.473 2.332 2.722 . 0 0 "[ . 1 . 2 ]" 1
323 1 17 GLN QG 1 18 TYR H 1.800 . 6.000 3.823 3.308 4.334 . 0 0 "[ . 1 . 2 ]" 1
324 2 17 GLN QG 2 18 TYR H 1.800 . 6.000 3.823 3.308 4.333 . 0 0 "[ . 1 . 2 ]" 1
325 1 18 TYR H 1 19 SER HA 1.800 . 6.000 5.278 5.230 5.297 . 0 0 "[ . 1 . 2 ]" 1
326 2 18 TYR H 2 19 SER HA 1.800 . 6.000 5.279 5.231 5.298 . 0 0 "[ . 1 . 2 ]" 1
327 1 18 TYR H 1 19 SER H 1.800 . 2.900 2.605 2.514 2.647 . 0 0 "[ . 1 . 2 ]" 1
328 2 18 TYR H 2 19 SER H 1.800 . 2.900 2.605 2.514 2.647 . 0 0 "[ . 1 . 2 ]" 1
329 1 18 TYR HA 1 19 SER H 1.800 . 5.000 3.566 3.547 3.575 . 0 0 "[ . 1 . 2 ]" 1
330 2 18 TYR HA 2 19 SER H 1.800 . 5.000 3.566 3.547 3.574 . 0 0 "[ . 1 . 2 ]" 1
331 1 18 TYR QB 1 19 SER H 1.800 . 5.000 2.499 2.433 2.604 . 0 0 "[ . 1 . 2 ]" 1
332 2 18 TYR QB 2 19 SER H 1.800 . 5.000 2.499 2.433 2.603 . 0 0 "[ . 1 . 2 ]" 1
333 1 20 GLY H 1 21 ARG H 1.800 . 6.000 1.807 1.787 1.837 0.013 2 0 "[ . 1 . 2 ]" 1
334 2 20 GLY H 2 21 ARG H 1.800 . 6.000 1.807 1.787 1.836 0.013 2 0 "[ . 1 . 2 ]" 1
335 1 21 ARG H 1 22 GLU H 1.800 . 2.900 2.639 2.601 2.692 . 0 0 "[ . 1 . 2 ]" 1
336 2 21 ARG H 2 22 GLU H 1.800 . 2.900 2.638 2.603 2.692 . 0 0 "[ . 1 . 2 ]" 1
337 1 21 ARG HA 1 22 GLU H 1.800 . 5.000 3.537 3.509 3.569 . 0 0 "[ . 1 . 2 ]" 1
338 2 21 ARG HA 2 22 GLU H 1.800 . 5.000 3.537 3.509 3.570 . 0 0 "[ . 1 . 2 ]" 1
339 1 21 ARG QB 1 22 GLU H 1.800 . 5.000 2.941 2.655 3.535 . 0 0 "[ . 1 . 2 ]" 1
340 2 21 ARG QB 2 22 GLU H 1.800 . 5.000 2.941 2.655 3.536 . 0 0 "[ . 1 . 2 ]" 1
341 1 22 GLU H 1 23 GLY H 1.800 . 6.000 2.027 1.978 2.054 . 0 0 "[ . 1 . 2 ]" 1
342 2 22 GLU H 2 23 GLY H 1.800 . 6.000 2.027 1.979 2.054 . 0 0 "[ . 1 . 2 ]" 1
343 1 22 GLU QB 1 23 GLY H 1.800 . 5.000 2.573 2.456 3.309 . 0 0 "[ . 1 . 2 ]" 1
344 2 22 GLU QB 2 23 GLY H 1.800 . 5.000 2.573 2.457 3.310 . 0 0 "[ . 1 . 2 ]" 1
345 1 22 GLU QG 1 23 GLY H 1.800 . 5.000 3.887 1.793 4.451 0.007 19 0 "[ . 1 . 2 ]" 1
346 2 22 GLU QG 2 23 GLY H 1.800 . 5.000 3.887 1.793 4.451 0.007 19 0 "[ . 1 . 2 ]" 1
347 1 23 GLY H 1 24 ASP H 1.800 . 6.000 2.841 2.800 2.933 . 0 0 "[ . 1 . 2 ]" 1
348 2 23 GLY H 2 24 ASP H 1.800 . 6.000 2.841 2.799 2.935 . 0 0 "[ . 1 . 2 ]" 1
349 1 23 GLY QA 1 24 ASP H 1.800 . 3.500 2.918 2.889 2.943 . 0 0 "[ . 1 . 2 ]" 1
350 2 23 GLY QA 2 24 ASP H 1.800 . 3.500 2.918 2.890 2.943 . 0 0 "[ . 1 . 2 ]" 1
351 1 24 ASP HA 1 25 LYS H 1.800 . 5.000 3.585 3.579 3.592 . 0 0 "[ . 1 . 2 ]" 1
352 2 24 ASP HA 2 25 LYS H 1.800 . 5.000 3.585 3.579 3.591 . 0 0 "[ . 1 . 2 ]" 1
353 1 24 ASP QB 1 25 LYS H 1.800 . 5.000 2.202 2.067 2.372 . 0 0 "[ . 1 . 2 ]" 1
354 2 24 ASP QB 2 25 LYS H 1.800 . 5.000 2.202 2.067 2.372 . 0 0 "[ . 1 . 2 ]" 1
355 1 25 LYS H 1 26 HIS H 1.800 . 6.000 4.560 4.498 4.608 . 0 0 "[ . 1 . 2 ]" 1
356 2 25 LYS H 2 26 HIS H 1.800 . 6.000 4.560 4.498 4.608 . 0 0 "[ . 1 . 2 ]" 1
357 1 25 LYS HA 1 26 HIS H 1.800 . 6.000 2.503 2.289 2.627 . 0 0 "[ . 1 . 2 ]" 1
358 2 25 LYS HA 2 26 HIS H 1.800 . 6.000 2.503 2.289 2.627 . 0 0 "[ . 1 . 2 ]" 1
359 1 25 LYS QB 1 26 HIS H 1.800 . 5.000 2.379 2.078 2.918 . 0 0 "[ . 1 . 2 ]" 1
360 2 25 LYS QB 2 26 HIS H 1.800 . 5.000 2.379 2.079 2.918 . 0 0 "[ . 1 . 2 ]" 1
361 1 26 HIS H 1 27 LYS H 1.800 . 2.900 2.858 2.656 2.984 0.084 17 0 "[ . 1 . 2 ]" 1
362 2 26 HIS H 2 27 LYS H 1.800 . 2.900 2.857 2.656 2.984 0.084 17 0 "[ . 1 . 2 ]" 1
363 1 26 HIS HA 1 27 LYS H 1.800 . 6.000 2.753 2.697 2.838 . 0 0 "[ . 1 . 2 ]" 1
364 2 26 HIS HA 2 27 LYS H 1.800 . 6.000 2.753 2.697 2.837 . 0 0 "[ . 1 . 2 ]" 1
365 1 26 HIS QB 1 27 LYS H 1.800 . 5.000 3.967 3.826 4.062 . 0 0 "[ . 1 . 2 ]" 1
366 2 26 HIS QB 2 27 LYS H 1.800 . 5.000 3.967 3.826 4.061 . 0 0 "[ . 1 . 2 ]" 1
367 1 27 LYS H 1 28 LEU H 1.800 . 6.000 4.450 4.430 4.465 . 0 0 "[ . 1 . 2 ]" 1
368 2 27 LYS H 2 28 LEU H 1.800 . 6.000 4.450 4.428 4.466 . 0 0 "[ . 1 . 2 ]" 1
369 1 27 LYS HA 1 28 LEU H 1.800 . 2.900 2.307 2.265 2.360 . 0 0 "[ . 1 . 2 ]" 1
370 2 27 LYS HA 2 28 LEU H 1.800 . 2.900 2.306 2.263 2.359 . 0 0 "[ . 1 . 2 ]" 1
371 1 27 LYS QB 1 28 LEU H 1.800 . 3.500 2.810 2.714 2.956 . 0 0 "[ . 1 . 2 ]" 1
372 2 27 LYS QB 2 28 LEU H 1.800 . 3.500 2.811 2.714 2.956 . 0 0 "[ . 1 . 2 ]" 1
373 1 28 LEU H 1 29 LYS H 1.800 . 6.000 4.468 4.450 4.493 . 0 0 "[ . 1 . 2 ]" 1
374 2 28 LEU H 2 29 LYS H 1.800 . 6.000 4.468 4.450 4.492 . 0 0 "[ . 1 . 2 ]" 1
375 1 28 LEU HA 1 29 LYS H 1.800 . 2.900 2.275 2.253 2.298 . 0 0 "[ . 1 . 2 ]" 1
376 2 28 LEU HA 2 29 LYS H 1.800 . 2.900 2.275 2.253 2.298 . 0 0 "[ . 1 . 2 ]" 1
377 1 28 LEU QD 1 29 LYS H 1.800 . 5.000 2.649 1.829 3.219 . 0 0 "[ . 1 . 2 ]" 1
378 2 28 LEU QD 2 29 LYS H 1.800 . 5.000 2.649 1.829 3.220 . 0 0 "[ . 1 . 2 ]" 1
379 1 29 LYS H 1 30 LYS H 1.800 . 6.000 4.632 4.614 4.659 . 0 0 "[ . 1 . 2 ]" 1
380 2 29 LYS H 2 30 LYS H 1.800 . 6.000 4.633 4.615 4.660 . 0 0 "[ . 1 . 2 ]" 1
381 1 29 LYS HA 1 30 LYS H 1.800 . 2.900 2.352 2.303 2.382 . 0 0 "[ . 1 . 2 ]" 1
382 2 29 LYS HA 2 30 LYS H 1.800 . 2.900 2.352 2.304 2.383 . 0 0 "[ . 1 . 2 ]" 1
383 1 30 LYS H 1 31 SER H 1.800 . 3.500 2.753 2.694 2.829 . 0 0 "[ . 1 . 2 ]" 1
384 2 30 LYS H 2 31 SER H 1.800 . 3.500 2.753 2.694 2.829 . 0 0 "[ . 1 . 2 ]" 1
385 1 30 LYS QB 1 31 SER H 1.800 . 3.500 3.327 3.221 3.440 . 0 0 "[ . 1 . 2 ]" 1
386 2 30 LYS QB 2 31 SER H 1.800 . 3.500 3.327 3.221 3.439 . 0 0 "[ . 1 . 2 ]" 1
387 1 31 SER H 1 32 GLU H 1.800 . 2.900 2.815 2.782 2.850 . 0 0 "[ . 1 . 2 ]" 1
388 2 31 SER H 2 32 GLU H 1.800 . 2.900 2.815 2.782 2.850 . 0 0 "[ . 1 . 2 ]" 1
389 1 31 SER H 1 32 GLU QB 1.800 . 6.000 4.904 4.630 5.118 . 0 0 "[ . 1 . 2 ]" 1
390 2 31 SER H 2 32 GLU QB 1.800 . 6.000 4.905 4.631 5.120 . 0 0 "[ . 1 . 2 ]" 1
391 1 31 SER HA 1 32 GLU H 1.800 . 4.200 3.562 3.546 3.576 . 0 0 "[ . 1 . 2 ]" 1
392 2 31 SER HA 2 32 GLU H 1.800 . 4.200 3.562 3.546 3.576 . 0 0 "[ . 1 . 2 ]" 1
393 1 31 SER QB 1 32 GLU H 1.800 . 4.200 2.874 2.521 3.427 . 0 0 "[ . 1 . 2 ]" 1
394 2 31 SER QB 2 32 GLU H 1.800 . 4.200 2.874 2.521 3.428 . 0 0 "[ . 1 . 2 ]" 1
395 1 32 GLU H 1 33 LEU H 1.800 . 2.900 2.398 2.326 2.492 . 0 0 "[ . 1 . 2 ]" 1
396 2 32 GLU H 2 33 LEU H 1.800 . 2.900 2.398 2.326 2.492 . 0 0 "[ . 1 . 2 ]" 1
397 1 32 GLU QB 1 33 LEU H 1.800 . 3.500 2.712 2.553 2.782 . 0 0 "[ . 1 . 2 ]" 1
398 2 32 GLU QB 2 33 LEU H 1.800 . 3.500 2.712 2.553 2.782 . 0 0 "[ . 1 . 2 ]" 1
399 1 32 GLU QG 1 33 LEU H 1.800 . 5.000 4.123 3.773 4.604 . 0 0 "[ . 1 . 2 ]" 1
400 2 32 GLU QG 2 33 LEU H 1.800 . 5.000 4.123 3.772 4.604 . 0 0 "[ . 1 . 2 ]" 1
401 1 33 LEU H 1 34 LYS H 1.800 . 2.900 2.756 2.703 2.837 . 0 0 "[ . 1 . 2 ]" 1
402 2 33 LEU H 2 34 LYS H 1.800 . 2.900 2.757 2.702 2.838 . 0 0 "[ . 1 . 2 ]" 1
403 1 33 LEU HA 1 34 LYS H 1.800 . 4.200 3.593 3.579 3.606 . 0 0 "[ . 1 . 2 ]" 1
404 2 33 LEU HA 2 34 LYS H 1.800 . 4.200 3.593 3.579 3.606 . 0 0 "[ . 1 . 2 ]" 1
405 1 33 LEU QB 1 34 LYS H 1.800 . 2.900 2.543 2.418 2.626 . 0 0 "[ . 1 . 2 ]" 1
406 2 33 LEU QB 2 34 LYS H 1.800 . 2.900 2.543 2.418 2.625 . 0 0 "[ . 1 . 2 ]" 1
407 1 33 LEU QD 1 34 LYS H 1.800 . 6.000 3.621 3.237 3.932 . 0 0 "[ . 1 . 2 ]" 1
408 2 33 LEU QD 2 34 LYS H 1.800 . 6.000 3.621 3.237 3.932 . 0 0 "[ . 1 . 2 ]" 1
409 1 34 LYS H 1 35 GLU H 1.800 . 2.900 2.968 2.954 2.982 0.082 16 0 "[ . 1 . 2 ]" 1
410 2 34 LYS H 2 35 GLU H 1.800 . 2.900 2.968 2.953 2.981 0.081 16 0 "[ . 1 . 2 ]" 1
411 1 34 LYS HA 1 35 GLU H 1.800 . 4.200 3.578 3.561 3.585 . 0 0 "[ . 1 . 2 ]" 1
412 2 34 LYS HA 2 35 GLU H 1.800 . 4.200 3.578 3.560 3.585 . 0 0 "[ . 1 . 2 ]" 1
413 1 34 LYS QB 1 35 GLU H 1.800 . 2.900 2.189 2.111 2.316 . 0 0 "[ . 1 . 2 ]" 1
414 2 34 LYS QB 2 35 GLU H 1.800 . 2.900 2.189 2.109 2.316 . 0 0 "[ . 1 . 2 ]" 1
415 1 35 GLU H 1 36 LEU H 1.800 . 2.900 2.880 2.818 2.935 0.035 11 0 "[ . 1 . 2 ]" 1
416 2 35 GLU H 2 36 LEU H 1.800 . 2.900 2.880 2.818 2.935 0.035 11 0 "[ . 1 . 2 ]" 1
417 1 35 GLU HA 1 36 LEU H 1.800 . 4.200 3.550 3.539 3.557 . 0 0 "[ . 1 . 2 ]" 1
418 2 35 GLU HA 2 36 LEU H 1.800 . 4.200 3.550 3.539 3.558 . 0 0 "[ . 1 . 2 ]" 1
419 1 35 GLU QB 1 36 LEU H 1.800 . 3.500 2.679 2.588 2.753 . 0 0 "[ . 1 . 2 ]" 1
420 2 35 GLU QB 2 36 LEU H 1.800 . 3.500 2.680 2.588 2.755 . 0 0 "[ . 1 . 2 ]" 1
421 1 35 GLU QG 1 36 LEU H 1.800 . 6.000 4.083 3.847 4.392 . 0 0 "[ . 1 . 2 ]" 1
422 2 35 GLU QG 2 36 LEU H 1.800 . 6.000 4.083 3.847 4.392 . 0 0 "[ . 1 . 2 ]" 1
423 1 36 LEU H 1 37 ILE H 1.800 . 2.900 2.685 2.641 2.754 . 0 0 "[ . 1 . 2 ]" 1
424 2 36 LEU H 2 37 ILE H 1.800 . 2.900 2.684 2.641 2.753 . 0 0 "[ . 1 . 2 ]" 1
425 1 36 LEU QD 1 37 ILE HA 1.800 . 5.000 4.362 2.835 5.020 0.020 15 0 "[ . 1 . 2 ]" 1
426 2 36 LEU QD 2 37 ILE HA 1.800 . 5.000 4.362 2.836 5.021 0.021 15 0 "[ . 1 . 2 ]" 1
427 1 36 LEU HA 1 37 ILE H 1.800 . 4.200 3.580 3.561 3.607 . 0 0 "[ . 1 . 2 ]" 1
428 2 36 LEU HA 2 37 ILE H 1.800 . 4.200 3.580 3.561 3.607 . 0 0 "[ . 1 . 2 ]" 1
429 1 36 LEU QB 1 37 ILE H 1.800 . 3.500 2.655 2.464 2.834 . 0 0 "[ . 1 . 2 ]" 1
430 2 36 LEU QB 2 37 ILE H 1.800 . 3.500 2.655 2.464 2.834 . 0 0 "[ . 1 . 2 ]" 1
431 1 36 LEU QD 1 37 ILE H 1.800 . 6.000 3.953 3.159 4.205 . 0 0 "[ . 1 . 2 ]" 1
432 2 36 LEU QD 2 37 ILE H 1.800 . 6.000 3.953 3.160 4.205 . 0 0 "[ . 1 . 2 ]" 1
433 1 37 ILE H 1 38 ASN H 1.800 . 2.900 2.710 2.607 2.812 . 0 0 "[ . 1 . 2 ]" 1
434 2 37 ILE H 2 38 ASN H 1.800 . 2.900 2.710 2.606 2.811 . 0 0 "[ . 1 . 2 ]" 1
435 1 37 ILE HA 1 38 ASN H 1.800 . 4.200 3.545 3.527 3.571 . 0 0 "[ . 1 . 2 ]" 1
436 2 37 ILE HA 2 38 ASN H 1.800 . 4.200 3.545 3.527 3.571 . 0 0 "[ . 1 . 2 ]" 1
437 1 37 ILE HB 1 38 ASN H 1.800 . 2.900 2.666 2.515 2.840 . 0 0 "[ . 1 . 2 ]" 1
438 2 37 ILE HB 2 38 ASN H 1.800 . 2.900 2.666 2.514 2.840 . 0 0 "[ . 1 . 2 ]" 1
439 1 37 ILE MG 1 38 ASN H 1.800 . 5.000 3.493 3.200 3.734 . 0 0 "[ . 1 . 2 ]" 1
440 2 37 ILE MG 2 38 ASN H 1.800 . 5.000 3.493 3.201 3.734 . 0 0 "[ . 1 . 2 ]" 1
441 1 37 ILE MD 1 38 ASN H 1.800 . 6.000 4.593 4.424 4.819 . 0 0 "[ . 1 . 2 ]" 1
442 2 37 ILE MD 2 38 ASN H 1.800 . 6.000 4.593 4.424 4.819 . 0 0 "[ . 1 . 2 ]" 1
443 1 38 ASN H 1 39 ASN H 1.800 . 2.900 2.784 2.665 2.915 0.015 10 0 "[ . 1 . 2 ]" 1
444 2 38 ASN H 2 39 ASN H 1.800 . 2.900 2.784 2.665 2.916 0.016 10 0 "[ . 1 . 2 ]" 1
445 1 38 ASN HA 1 39 ASN H 1.800 . 4.200 3.557 3.499 3.599 . 0 0 "[ . 1 . 2 ]" 1
446 2 38 ASN HA 2 39 ASN H 1.800 . 4.200 3.557 3.499 3.600 . 0 0 "[ . 1 . 2 ]" 1
447 1 38 ASN QB 1 39 ASN H 1.800 . 2.900 2.625 2.246 2.914 0.014 5 0 "[ . 1 . 2 ]" 1
448 2 38 ASN QB 2 39 ASN H 1.800 . 2.900 2.626 2.246 2.914 0.014 5 0 "[ . 1 . 2 ]" 1
449 1 39 ASN H 1 40 GLU H 1.800 . 2.900 2.371 2.037 2.770 . 0 0 "[ . 1 . 2 ]" 1
450 2 39 ASN H 2 40 GLU H 1.800 . 2.900 2.371 2.037 2.770 . 0 0 "[ . 1 . 2 ]" 1
451 1 39 ASN QB 1 40 GLU H 1.800 . 3.500 3.331 3.033 3.514 0.014 3 0 "[ . 1 . 2 ]" 1
452 2 39 ASN QB 2 40 GLU H 1.800 . 3.500 3.330 3.033 3.514 0.014 3 0 "[ . 1 . 2 ]" 1
453 1 40 GLU H 1 41 LEU H 1.800 . 2.900 2.086 1.911 2.301 . 0 0 "[ . 1 . 2 ]" 1
454 2 40 GLU H 2 41 LEU H 1.800 . 2.900 2.085 1.911 2.301 . 0 0 "[ . 1 . 2 ]" 1
455 1 40 GLU HA 1 41 LEU H 1.800 . 6.000 3.517 3.482 3.542 . 0 0 "[ . 1 . 2 ]" 1
456 2 40 GLU HA 2 41 LEU H 1.800 . 6.000 3.517 3.482 3.542 . 0 0 "[ . 1 . 2 ]" 1
457 1 40 GLU QB 1 41 LEU H 1.800 . 3.500 2.847 2.731 3.006 . 0 0 "[ . 1 . 2 ]" 1
458 2 40 GLU QB 2 41 LEU H 1.800 . 3.500 2.847 2.731 3.006 . 0 0 "[ . 1 . 2 ]" 1
459 1 41 LEU H 1 42 SER H 1.800 . 3.500 2.538 2.246 2.824 . 0 0 "[ . 1 . 2 ]" 1
460 2 41 LEU H 2 42 SER H 1.800 . 3.500 2.538 2.245 2.824 . 0 0 "[ . 1 . 2 ]" 1
461 1 41 LEU HA 1 42 SER H 1.800 . 5.000 2.977 2.826 3.159 . 0 0 "[ . 1 . 2 ]" 1
462 2 41 LEU HA 2 42 SER H 1.800 . 5.000 2.977 2.827 3.160 . 0 0 "[ . 1 . 2 ]" 1
463 1 41 LEU QD 1 42 SER H 1.800 . 6.000 4.269 3.961 4.552 . 0 0 "[ . 1 . 2 ]" 1
464 2 41 LEU QD 2 42 SER H 1.800 . 6.000 4.269 3.961 4.552 . 0 0 "[ . 1 . 2 ]" 1
465 1 42 SER HA 1 43 HIS H 1.800 . 6.000 3.525 3.481 3.600 . 0 0 "[ . 1 . 2 ]" 1
466 2 42 SER HA 2 43 HIS H 1.800 . 6.000 3.526 3.482 3.600 . 0 0 "[ . 1 . 2 ]" 1
467 1 42 SER QB 1 43 HIS H 1.800 . 5.000 3.213 2.149 3.602 . 0 0 "[ . 1 . 2 ]" 1
468 2 42 SER QB 2 43 HIS H 1.800 . 5.000 3.213 2.149 3.602 . 0 0 "[ . 1 . 2 ]" 1
469 1 43 HIS H 1 44 PHE H 1.800 . 2.900 2.688 2.555 2.909 0.009 9 0 "[ . 1 . 2 ]" 1
470 2 43 HIS H 2 44 PHE H 1.800 . 2.900 2.688 2.556 2.910 0.010 9 0 "[ . 1 . 2 ]" 1
471 1 45 LEU HA 1 46 GLU H 1.800 . 5.000 3.513 3.424 3.583 . 0 0 "[ . 1 . 2 ]" 1
472 2 45 LEU HA 2 46 GLU H 1.800 . 5.000 3.513 3.425 3.582 . 0 0 "[ . 1 . 2 ]" 1
473 1 45 LEU QB 1 46 GLU H 1.800 . 6.000 2.780 2.283 3.113 . 0 0 "[ . 1 . 2 ]" 1
474 2 45 LEU QB 2 46 GLU H 1.800 . 6.000 2.780 2.283 3.112 . 0 0 "[ . 1 . 2 ]" 1
475 1 46 GLU H 1 47 GLU H 1.800 . 2.900 2.538 2.409 2.825 . 0 0 "[ . 1 . 2 ]" 1
476 2 46 GLU H 2 47 GLU H 1.800 . 2.900 2.538 2.410 2.824 . 0 0 "[ . 1 . 2 ]" 1
477 1 46 GLU HA 1 47 GLU H 1.800 . 3.500 3.539 3.508 3.555 0.055 19 0 "[ . 1 . 2 ]" 1
478 2 46 GLU HA 2 47 GLU H 1.800 . 3.500 3.539 3.508 3.555 0.055 19 0 "[ . 1 . 2 ]" 1
479 1 46 GLU QB 1 47 GLU H 1.800 . 6.000 2.625 2.490 2.794 . 0 0 "[ . 1 . 2 ]" 1
480 2 46 GLU QB 2 47 GLU H 1.800 . 6.000 2.625 2.491 2.794 . 0 0 "[ . 1 . 2 ]" 1
481 1 47 GLU H 1 48 ILE H 1.800 . 5.000 3.571 3.490 3.794 . 0 0 "[ . 1 . 2 ]" 1
482 2 47 GLU H 2 48 ILE H 1.800 . 5.000 3.571 3.490 3.794 . 0 0 "[ . 1 . 2 ]" 1
483 1 49 LYS H 1 50 GLU H 1.800 . 2.900 2.345 1.894 2.580 . 0 0 "[ . 1 . 2 ]" 1
484 2 49 LYS H 2 50 GLU H 1.800 . 2.900 2.345 1.894 2.580 . 0 0 "[ . 1 . 2 ]" 1
485 1 49 LYS HA 1 50 GLU H 1.800 . 5.000 3.579 3.557 3.594 . 0 0 "[ . 1 . 2 ]" 1
486 2 49 LYS HA 2 50 GLU H 1.800 . 5.000 3.579 3.557 3.594 . 0 0 "[ . 1 . 2 ]" 1
487 1 49 LYS QB 1 50 GLU H 1.800 . 5.000 2.390 2.150 2.571 . 0 0 "[ . 1 . 2 ]" 1
488 2 49 LYS QB 2 50 GLU H 1.800 . 5.000 2.390 2.150 2.571 . 0 0 "[ . 1 . 2 ]" 1
489 1 49 LYS QG 1 50 GLU H 1.800 . 6.000 3.775 2.950 4.401 . 0 0 "[ . 1 . 2 ]" 1
490 2 49 LYS QG 2 50 GLU H 1.800 . 6.000 3.775 2.949 4.400 . 0 0 "[ . 1 . 2 ]" 1
491 1 50 GLU HA 1 51 GLN H 1.800 . 6.000 2.384 2.204 2.598 . 0 0 "[ . 1 . 2 ]" 1
492 2 50 GLU HA 2 51 GLN H 1.800 . 6.000 2.384 2.202 2.599 . 0 0 "[ . 1 . 2 ]" 1
493 1 51 GLN H 1 52 GLU H 1.800 . 3.500 2.623 2.285 2.930 . 0 0 "[ . 1 . 2 ]" 1
494 2 51 GLN H 2 52 GLU H 1.800 . 3.500 2.623 2.285 2.930 . 0 0 "[ . 1 . 2 ]" 1
495 1 51 GLN HA 1 52 GLU H 1.800 . 5.000 3.486 3.465 3.530 . 0 0 "[ . 1 . 2 ]" 1
496 2 51 GLN HA 2 52 GLU H 1.800 . 5.000 3.486 3.466 3.528 . 0 0 "[ . 1 . 2 ]" 1
497 1 52 GLU H 1 53 VAL H 1.800 . 3.500 2.590 2.541 2.684 . 0 0 "[ . 1 . 2 ]" 1
498 2 52 GLU H 2 53 VAL H 1.800 . 3.500 2.591 2.541 2.684 . 0 0 "[ . 1 . 2 ]" 1
499 1 52 GLU HA 1 53 VAL H 1.800 . 5.000 3.482 3.458 3.503 . 0 0 "[ . 1 . 2 ]" 1
500 2 52 GLU HA 2 53 VAL H 1.800 . 5.000 3.483 3.460 3.504 . 0 0 "[ . 1 . 2 ]" 1
501 1 53 VAL H 1 54 VAL H 1.800 . 2.900 2.555 2.531 2.594 . 0 0 "[ . 1 . 2 ]" 1
502 2 53 VAL H 2 54 VAL H 1.800 . 2.900 2.555 2.531 2.593 . 0 0 "[ . 1 . 2 ]" 1
503 1 53 VAL HA 1 54 VAL H 1.800 . 5.000 3.600 3.594 3.611 . 0 0 "[ . 1 . 2 ]" 1
504 2 53 VAL HA 2 54 VAL H 1.800 . 5.000 3.601 3.594 3.610 . 0 0 "[ . 1 . 2 ]" 1
505 1 53 VAL HB 1 54 VAL H 1.800 . 5.000 2.598 2.384 3.618 . 0 0 "[ . 1 . 2 ]" 1
506 2 53 VAL HB 2 54 VAL H 1.800 . 5.000 2.598 2.384 3.618 . 0 0 "[ . 1 . 2 ]" 1
507 1 53 VAL MG1 1 54 VAL H 1.800 . 6.000 3.267 3.035 4.074 . 0 0 "[ . 1 . 2 ]" 1
508 2 53 VAL MG1 2 54 VAL H 1.800 . 6.000 3.267 3.034 4.075 . 0 0 "[ . 1 . 2 ]" 1
509 1 54 VAL H 1 55 ASP H 1.800 . 2.900 2.612 2.544 2.654 . 0 0 "[ . 1 . 2 ]" 1
510 2 54 VAL H 2 55 ASP H 1.800 . 2.900 2.612 2.544 2.656 . 0 0 "[ . 1 . 2 ]" 1
511 1 54 VAL HA 1 55 ASP H 1.800 . 4.200 3.522 3.509 3.531 . 0 0 "[ . 1 . 2 ]" 1
512 2 54 VAL HA 2 55 ASP H 1.800 . 4.200 3.522 3.509 3.530 . 0 0 "[ . 1 . 2 ]" 1
513 1 54 VAL HB 1 55 ASP H 1.800 . 2.900 2.767 2.665 2.808 . 0 0 "[ . 1 . 2 ]" 1
514 2 54 VAL HB 2 55 ASP H 1.800 . 2.900 2.767 2.666 2.808 . 0 0 "[ . 1 . 2 ]" 1
515 1 55 ASP H 1 56 LYS H 1.800 . 2.900 2.790 2.762 2.812 . 0 0 "[ . 1 . 2 ]" 1
516 2 55 ASP H 2 56 LYS H 1.800 . 2.900 2.790 2.762 2.811 . 0 0 "[ . 1 . 2 ]" 1
517 1 55 ASP HA 1 56 LYS H 1.800 . 5.000 3.579 3.572 3.593 . 0 0 "[ . 1 . 2 ]" 1
518 2 55 ASP HA 2 56 LYS H 1.800 . 5.000 3.579 3.571 3.593 . 0 0 "[ . 1 . 2 ]" 1
519 1 55 ASP QB 1 56 LYS H 1.800 . 2.900 2.468 2.351 2.622 . 0 0 "[ . 1 . 2 ]" 1
520 2 55 ASP QB 2 56 LYS H 1.800 . 2.900 2.468 2.351 2.622 . 0 0 "[ . 1 . 2 ]" 1
521 1 56 LYS H 1 57 VAL H 1.800 . 2.900 2.631 2.600 2.677 . 0 0 "[ . 1 . 2 ]" 1
522 2 56 LYS H 2 57 VAL H 1.800 . 2.900 2.631 2.601 2.677 . 0 0 "[ . 1 . 2 ]" 1
523 1 56 LYS HA 1 57 VAL H 1.800 . 4.200 3.506 3.499 3.518 . 0 0 "[ . 1 . 2 ]" 1
524 2 56 LYS HA 2 57 VAL H 1.800 . 4.200 3.506 3.498 3.517 . 0 0 "[ . 1 . 2 ]" 1
525 1 56 LYS QB 1 57 VAL H 1.800 . 2.900 2.937 2.924 2.963 0.063 1 0 "[ . 1 . 2 ]" 1
526 2 56 LYS QB 2 57 VAL H 1.800 . 2.900 2.937 2.925 2.963 0.063 1 0 "[ . 1 . 2 ]" 1
527 1 57 VAL H 1 58 MET H 1.800 . 2.900 2.759 2.735 2.782 . 0 0 "[ . 1 . 2 ]" 1
528 2 57 VAL H 2 58 MET H 1.800 . 2.900 2.759 2.735 2.782 . 0 0 "[ . 1 . 2 ]" 1
529 1 57 VAL HA 1 58 MET H 1.800 . 4.200 3.586 3.580 3.593 . 0 0 "[ . 1 . 2 ]" 1
530 2 57 VAL HA 2 58 MET H 1.800 . 4.200 3.587 3.580 3.593 . 0 0 "[ . 1 . 2 ]" 1
531 1 57 VAL HB 1 58 MET H 1.800 . 3.500 2.257 2.185 2.373 . 0 0 "[ . 1 . 2 ]" 1
532 2 57 VAL HB 2 58 MET H 1.800 . 3.500 2.257 2.185 2.373 . 0 0 "[ . 1 . 2 ]" 1
533 1 57 VAL MG2 1 58 MET H 1.800 . 5.000 3.773 3.680 3.879 . 0 0 "[ . 1 . 2 ]" 1
534 2 57 VAL MG2 2 58 MET H 1.800 . 5.000 3.773 3.680 3.879 . 0 0 "[ . 1 . 2 ]" 1
535 1 57 VAL MG1 1 58 MET H 1.800 . 5.000 2.971 2.791 3.113 . 0 0 "[ . 1 . 2 ]" 1
536 2 57 VAL MG1 2 58 MET H 1.800 . 5.000 2.971 2.790 3.113 . 0 0 "[ . 1 . 2 ]" 1
537 1 58 MET H 1 59 GLU H 1.800 . 2.900 2.804 2.774 2.844 . 0 0 "[ . 1 . 2 ]" 1
538 2 58 MET H 2 59 GLU H 1.800 . 2.900 2.804 2.775 2.844 . 0 0 "[ . 1 . 2 ]" 1
539 1 58 MET HA 1 59 GLU H 1.800 . 4.200 3.504 3.490 3.524 . 0 0 "[ . 1 . 2 ]" 1
540 2 58 MET HA 2 59 GLU H 1.800 . 4.200 3.504 3.490 3.524 . 0 0 "[ . 1 . 2 ]" 1
541 1 58 MET QB 1 59 GLU H 1.800 . 2.900 2.902 2.842 2.955 0.055 5 0 "[ . 1 . 2 ]" 1
542 2 58 MET QB 2 59 GLU H 1.800 . 2.900 2.902 2.842 2.955 0.055 5 0 "[ . 1 . 2 ]" 1
543 1 58 MET QG 1 59 GLU H 1.800 . 6.000 4.349 4.073 4.730 . 0 0 "[ . 1 . 2 ]" 1
544 2 58 MET QG 2 59 GLU H 1.800 . 6.000 4.349 4.072 4.730 . 0 0 "[ . 1 . 2 ]" 1
545 1 59 GLU H 1 60 THR H 1.800 . 2.900 2.345 2.295 2.398 . 0 0 "[ . 1 . 2 ]" 1
546 2 59 GLU H 2 60 THR H 1.800 . 2.900 2.345 2.296 2.399 . 0 0 "[ . 1 . 2 ]" 1
547 1 59 GLU HA 1 60 THR H 1.800 . 4.200 3.540 3.518 3.561 . 0 0 "[ . 1 . 2 ]" 1
548 2 59 GLU HA 2 60 THR H 1.800 . 4.200 3.540 3.519 3.561 . 0 0 "[ . 1 . 2 ]" 1
549 1 59 GLU QB 1 60 THR H 1.800 . 2.900 2.744 2.650 2.816 . 0 0 "[ . 1 . 2 ]" 1
550 2 59 GLU QB 2 60 THR H 1.800 . 2.900 2.744 2.650 2.816 . 0 0 "[ . 1 . 2 ]" 1
551 1 60 THR H 1 61 LEU H 1.800 . 2.900 2.660 2.573 2.717 . 0 0 "[ . 1 . 2 ]" 1
552 2 60 THR H 2 61 LEU H 1.800 . 2.900 2.661 2.573 2.718 . 0 0 "[ . 1 . 2 ]" 1
553 1 60 THR HA 1 61 LEU H 1.800 . 5.000 3.598 3.565 3.615 . 0 0 "[ . 1 . 2 ]" 1
554 2 60 THR HA 2 61 LEU H 1.800 . 5.000 3.598 3.565 3.616 . 0 0 "[ . 1 . 2 ]" 1
555 1 60 THR HB 1 61 LEU H 1.800 . 3.500 2.757 2.520 3.499 . 0 0 "[ . 1 . 2 ]" 1
556 2 60 THR HB 2 61 LEU H 1.800 . 3.500 2.758 2.520 3.500 . 0 0 "[ . 1 . 2 ]" 1
557 1 60 THR MG 1 61 LEU H 1.800 . 5.000 3.816 3.591 4.220 . 0 0 "[ . 1 . 2 ]" 1
558 2 60 THR MG 2 61 LEU H 1.800 . 5.000 3.816 3.591 4.220 . 0 0 "[ . 1 . 2 ]" 1
559 1 61 LEU H 1 62 ASP H 1.800 . 2.900 2.814 2.713 2.877 . 0 0 "[ . 1 . 2 ]" 1
560 2 61 LEU H 2 62 ASP H 1.800 . 2.900 2.814 2.714 2.877 . 0 0 "[ . 1 . 2 ]" 1
561 1 61 LEU HA 1 62 ASP H 1.800 . 5.000 3.591 3.584 3.597 . 0 0 "[ . 1 . 2 ]" 1
562 2 61 LEU HA 2 62 ASP H 1.800 . 5.000 3.591 3.584 3.596 . 0 0 "[ . 1 . 2 ]" 1
563 1 61 LEU QB 1 62 ASP H 1.800 . 2.900 2.243 2.128 2.393 . 0 0 "[ . 1 . 2 ]" 1
564 2 61 LEU QB 2 62 ASP H 1.800 . 2.900 2.242 2.128 2.393 . 0 0 "[ . 1 . 2 ]" 1
565 1 62 ASP H 1 63 GLU H 1.800 . 2.900 2.763 2.745 2.796 . 0 0 "[ . 1 . 2 ]" 1
566 2 62 ASP H 2 63 GLU H 1.800 . 2.900 2.763 2.745 2.796 . 0 0 "[ . 1 . 2 ]" 1
567 1 62 ASP HA 1 63 GLU H 1.800 . 5.000 3.465 3.438 3.489 . 0 0 "[ . 1 . 2 ]" 1
568 2 62 ASP HA 2 63 GLU H 1.800 . 5.000 3.464 3.438 3.488 . 0 0 "[ . 1 . 2 ]" 1
569 1 62 ASP QB 1 63 GLU H 1.800 . 3.500 2.959 2.875 3.053 . 0 0 "[ . 1 . 2 ]" 1
570 2 62 ASP QB 2 63 GLU H 1.800 . 3.500 2.959 2.875 3.053 . 0 0 "[ . 1 . 2 ]" 1
571 1 63 GLU H 1 64 ASP H 1.800 . 2.900 2.921 2.902 2.952 0.052 19 0 "[ . 1 . 2 ]" 1
572 2 63 GLU H 2 64 ASP H 1.800 . 2.900 2.921 2.903 2.952 0.052 19 0 "[ . 1 . 2 ]" 1
573 1 63 GLU HA 1 64 ASP H 1.800 . 3.000 2.703 2.667 2.726 . 0 0 "[ . 1 . 2 ]" 1
574 2 63 GLU HA 2 64 ASP H 1.800 . 3.000 2.724 2.691 2.746 . 0 0 "[ . 1 . 2 ]" 1
575 1 63 GLU QB 1 64 ASP H 1.800 . 3.500 3.710 3.699 3.722 0.222 19 0 "[ . 1 . 2 ]" 1
576 2 63 GLU QB 2 64 ASP H 1.800 . 3.500 3.710 3.699 3.722 0.222 19 0 "[ . 1 . 2 ]" 1
577 1 63 GLU QG 1 64 ASP H 1.800 . 5.000 4.474 4.379 4.551 . 0 0 "[ . 1 . 2 ]" 1
578 2 63 GLU QG 2 64 ASP H 1.800 . 5.000 4.474 4.379 4.551 . 0 0 "[ . 1 . 2 ]" 1
579 1 64 ASP H 1 65 GLY H 1.800 . 3.500 2.849 2.807 2.913 . 0 0 "[ . 1 . 2 ]" 1
580 2 64 ASP H 2 65 GLY H 1.800 . 3.500 2.848 2.807 2.913 . 0 0 "[ . 1 . 2 ]" 1
581 1 64 ASP HA 1 65 GLY H 1.800 . 3.500 3.532 3.511 3.552 0.052 20 0 "[ . 1 . 2 ]" 1
582 2 64 ASP HA 2 65 GLY H 1.800 . 3.500 3.523 3.502 3.544 0.044 1 0 "[ . 1 . 2 ]" 1
583 1 64 ASP QB 1 65 GLY H 1.800 . 5.000 2.786 2.424 3.405 . 0 0 "[ . 1 . 2 ]" 1
584 2 64 ASP QB 2 65 GLY H 1.800 . 5.000 2.789 2.429 3.406 . 0 0 "[ . 1 . 2 ]" 1
585 1 65 GLY H 1 66 ASP H 1.800 . 3.500 3.115 3.060 3.182 . 0 0 "[ . 1 . 2 ]" 1
586 2 65 GLY H 2 66 ASP H 1.800 . 3.500 3.116 3.060 3.183 . 0 0 "[ . 1 . 2 ]" 1
587 1 65 GLY QA 1 66 ASP H 1.800 . 3.000 2.970 2.960 2.977 . 0 0 "[ . 1 . 2 ]" 1
588 2 65 GLY QA 2 66 ASP H 1.800 . 3.000 2.971 2.962 2.979 . 0 0 "[ . 1 . 2 ]" 1
589 1 66 ASP H 1 67 GLY H 1.800 . 5.000 2.362 2.347 2.375 . 0 0 "[ . 1 . 2 ]" 1
590 2 66 ASP H 2 67 GLY H 1.800 . 5.000 2.363 2.347 2.376 . 0 0 "[ . 1 . 2 ]" 1
591 1 66 ASP HA 1 67 GLY H 1.800 . 5.000 3.592 3.477 3.652 . 0 0 "[ . 1 . 2 ]" 1
592 2 66 ASP HA 2 67 GLY H 1.800 . 5.000 3.591 3.478 3.652 . 0 0 "[ . 1 . 2 ]" 1
593 1 66 ASP QB 1 67 GLY H 1.800 . 3.500 3.303 2.833 3.565 0.065 4 0 "[ . 1 . 2 ]" 1
594 2 66 ASP QB 2 67 GLY H 1.800 . 3.500 3.302 2.833 3.564 0.064 4 0 "[ . 1 . 2 ]" 1
595 1 67 GLY H 1 68 GLU H 1.800 . 5.000 2.808 2.610 3.102 . 0 0 "[ . 1 . 2 ]" 1
596 2 67 GLY H 2 68 GLU H 1.800 . 5.000 2.809 2.611 3.102 . 0 0 "[ . 1 . 2 ]" 1
597 1 67 GLY QA 1 68 GLU H 1.800 . 3.000 2.849 2.833 2.867 . 0 0 "[ . 1 . 2 ]" 1
598 2 67 GLY QA 2 68 GLU H 1.800 . 3.000 2.849 2.834 2.867 . 0 0 "[ . 1 . 2 ]" 1
599 1 68 GLU H 1 69 CYS H 1.800 . 6.000 4.265 4.224 4.284 . 0 0 "[ . 1 . 2 ]" 1
600 2 68 GLU H 2 69 CYS H 1.800 . 6.000 4.265 4.223 4.283 . 0 0 "[ . 1 . 2 ]" 1
601 1 68 GLU HA 1 69 CYS H 1.800 . 2.900 2.234 2.213 2.250 . 0 0 "[ . 1 . 2 ]" 1
602 2 68 GLU HA 2 69 CYS H 1.800 . 2.900 2.234 2.213 2.249 . 0 0 "[ . 1 . 2 ]" 1
603 1 68 GLU QB 1 69 CYS H 1.800 . 3.500 3.198 3.129 3.271 . 0 0 "[ . 1 . 2 ]" 1
604 2 68 GLU QB 2 69 CYS H 1.800 . 3.500 3.198 3.128 3.271 . 0 0 "[ . 1 . 2 ]" 1
605 1 69 CYS HA 1 73 GLU QB 1.800 . 4.200 3.474 3.249 3.634 . 0 0 "[ . 1 . 2 ]" 1
606 2 69 CYS HA 2 73 GLU QB 1.800 . 4.200 3.474 3.250 3.635 . 0 0 "[ . 1 . 2 ]" 1
607 1 68 GLU QG 1 69 CYS H 1.800 . 6.000 4.129 3.880 4.554 . 0 0 "[ . 1 . 2 ]" 1
608 2 68 GLU QG 2 69 CYS H 1.800 . 6.000 4.129 3.881 4.553 . 0 0 "[ . 1 . 2 ]" 1
609 1 69 CYS H 1 70 ASP H 1.800 . 6.000 4.457 4.443 4.473 . 0 0 "[ . 1 . 2 ]" 1
610 2 69 CYS H 2 70 ASP H 1.800 . 6.000 4.457 4.443 4.473 . 0 0 "[ . 1 . 2 ]" 1
611 1 69 CYS HA 1 70 ASP H 1.800 . 2.900 2.197 2.183 2.207 . 0 0 "[ . 1 . 2 ]" 1
612 2 69 CYS HA 2 70 ASP H 1.800 . 2.900 2.197 2.183 2.207 . 0 0 "[ . 1 . 2 ]" 1
613 1 69 CYS QB 1 70 ASP H 1.800 . 5.000 3.321 3.235 3.828 . 0 0 "[ . 1 . 2 ]" 1
614 2 69 CYS QB 2 70 ASP H 1.800 . 5.000 3.321 3.235 3.827 . 0 0 "[ . 1 . 2 ]" 1
615 1 70 ASP H 1 71 PHE H 1.800 . 6.000 4.523 4.494 4.544 . 0 0 "[ . 1 . 2 ]" 1
616 2 70 ASP H 2 71 PHE H 1.800 . 6.000 4.523 4.494 4.545 . 0 0 "[ . 1 . 2 ]" 1
617 1 70 ASP HA 1 71 PHE H 1.800 . 2.900 2.682 2.661 2.705 . 0 0 "[ . 1 . 2 ]" 1
618 2 70 ASP HA 2 71 PHE H 1.800 . 2.900 2.682 2.661 2.706 . 0 0 "[ . 1 . 2 ]" 1
619 1 70 ASP QB 1 71 PHE H 1.800 . 3.500 2.352 1.933 2.861 . 0 0 "[ . 1 . 2 ]" 1
620 2 70 ASP QB 2 71 PHE H 1.800 . 3.500 2.352 1.934 2.861 . 0 0 "[ . 1 . 2 ]" 1
621 1 71 PHE H 1 72 GLN H 1.800 . 2.900 2.485 2.446 2.528 . 0 0 "[ . 1 . 2 ]" 1
622 2 71 PHE H 2 72 GLN H 1.800 . 2.900 2.485 2.446 2.528 . 0 0 "[ . 1 . 2 ]" 1
623 1 71 PHE HA 1 72 GLN H 1.800 . 4.200 3.519 3.490 3.547 . 0 0 "[ . 1 . 2 ]" 1
624 2 71 PHE HA 2 72 GLN H 1.800 . 4.200 3.519 3.490 3.547 . 0 0 "[ . 1 . 2 ]" 1
625 1 70 ASP HA 1 72 GLN H 1.800 . 5.000 4.490 4.371 4.618 . 0 0 "[ . 1 . 2 ]" 1
626 2 70 ASP HA 2 72 GLN H 1.800 . 5.000 4.491 4.372 4.618 . 0 0 "[ . 1 . 2 ]" 1
627 1 71 PHE QB 1 72 GLN H 1.800 . 2.900 2.769 2.647 2.905 0.005 17 0 "[ . 1 . 2 ]" 1
628 2 71 PHE QB 2 72 GLN H 1.800 . 2.900 2.769 2.646 2.904 0.004 17 0 "[ . 1 . 2 ]" 1
629 1 71 PHE QD 1 72 GLN H 1.800 . 4.200 3.677 3.386 4.015 . 0 0 "[ . 1 . 2 ]" 1
630 2 71 PHE QD 2 72 GLN H 1.800 . 4.200 3.677 3.385 4.015 . 0 0 "[ . 1 . 2 ]" 1
631 1 72 GLN H 1 73 GLU H 1.800 . 2.900 2.690 2.609 2.781 . 0 0 "[ . 1 . 2 ]" 1
632 2 72 GLN H 2 73 GLU H 1.800 . 2.900 2.690 2.609 2.781 . 0 0 "[ . 1 . 2 ]" 1
633 1 72 GLN HA 1 73 GLU H 1.800 . 4.200 3.547 3.532 3.565 . 0 0 "[ . 1 . 2 ]" 1
634 2 72 GLN HA 2 73 GLU H 1.800 . 4.200 3.548 3.533 3.565 . 0 0 "[ . 1 . 2 ]" 1
635 1 72 GLN QB 1 73 GLU H 1.800 . 2.900 2.624 2.496 2.700 . 0 0 "[ . 1 . 2 ]" 1
636 2 72 GLN QB 2 73 GLU H 1.800 . 2.900 2.624 2.496 2.700 . 0 0 "[ . 1 . 2 ]" 1
637 1 73 GLU H 1 74 PHE H 1.800 . 2.900 2.509 2.490 2.539 . 0 0 "[ . 1 . 2 ]" 1
638 2 73 GLU H 2 74 PHE H 1.800 . 2.900 2.509 2.489 2.539 . 0 0 "[ . 1 . 2 ]" 1
639 1 73 GLU HA 1 74 PHE H 1.800 . 3.500 3.457 3.438 3.472 . 0 0 "[ . 1 . 2 ]" 1
640 2 73 GLU HA 2 74 PHE H 1.800 . 3.500 3.457 3.438 3.473 . 0 0 "[ . 1 . 2 ]" 1
641 1 73 GLU QB 1 74 PHE H 1.800 . 3.500 2.951 2.904 3.017 . 0 0 "[ . 1 . 2 ]" 1
642 2 73 GLU QB 2 74 PHE H 1.800 . 3.500 2.951 2.905 3.017 . 0 0 "[ . 1 . 2 ]" 1
643 1 74 PHE H 1 75 MET H 1.800 . 2.900 2.553 2.490 2.610 . 0 0 "[ . 1 . 2 ]" 1
644 2 74 PHE H 2 75 MET H 1.800 . 2.900 2.553 2.490 2.610 . 0 0 "[ . 1 . 2 ]" 1
645 1 74 PHE HA 1 75 MET H 1.800 . 6.000 3.566 3.550 3.580 . 0 0 "[ . 1 . 2 ]" 1
646 2 74 PHE HA 2 75 MET H 1.800 . 6.000 3.565 3.549 3.580 . 0 0 "[ . 1 . 2 ]" 1
647 1 74 PHE QB 1 75 MET H 1.800 . 3.500 2.745 2.677 2.874 . 0 0 "[ . 1 . 2 ]" 1
648 2 74 PHE QB 2 75 MET H 1.800 . 3.500 2.745 2.678 2.874 . 0 0 "[ . 1 . 2 ]" 1
649 1 74 PHE QD 1 75 MET H 1.800 . 5.000 3.385 2.459 3.794 . 0 0 "[ . 1 . 2 ]" 1
650 2 74 PHE QD 2 75 MET H 1.800 . 5.000 3.385 2.460 3.795 . 0 0 "[ . 1 . 2 ]" 1
651 1 75 MET H 1 76 ALA H 1.800 . 2.900 2.761 2.608 2.864 . 0 0 "[ . 1 . 2 ]" 1
652 2 75 MET H 2 76 ALA H 1.800 . 2.900 2.761 2.609 2.865 . 0 0 "[ . 1 . 2 ]" 1
653 1 75 MET HA 1 76 ALA H 1.800 . 4.200 3.612 3.540 3.645 . 0 0 "[ . 1 . 2 ]" 1
654 2 75 MET HA 2 76 ALA H 1.800 . 4.200 3.613 3.540 3.647 . 0 0 "[ . 1 . 2 ]" 1
655 1 75 MET QB 1 76 ALA H 1.800 . 2.900 2.607 2.303 2.946 0.046 19 0 "[ . 1 . 2 ]" 1
656 2 75 MET QB 2 76 ALA H 1.800 . 2.900 2.607 2.303 2.947 0.047 19 0 "[ . 1 . 2 ]" 1
657 1 76 ALA H 1 77 PHE H 1.800 . 2.900 2.869 2.571 2.993 0.093 15 0 "[ . 1 . 2 ]" 1
658 2 76 ALA H 2 77 PHE H 1.800 . 2.900 2.868 2.570 2.993 0.093 15 0 "[ . 1 . 2 ]" 1
659 1 76 ALA HA 1 77 PHE H 1.800 . 4.200 3.601 3.578 3.614 . 0 0 "[ . 1 . 2 ]" 1
660 2 76 ALA HA 2 77 PHE H 1.800 . 4.200 3.601 3.579 3.613 . 0 0 "[ . 1 . 2 ]" 1
661 1 76 ALA MB 1 77 PHE H 1.800 . 2.900 2.379 2.195 2.546 . 0 0 "[ . 1 . 2 ]" 1
662 2 76 ALA MB 2 77 PHE H 1.800 . 2.900 2.379 2.196 2.546 . 0 0 "[ . 1 . 2 ]" 1
663 1 77 PHE H 1 78 VAL H 1.800 . 2.900 2.665 2.570 2.772 . 0 0 "[ . 1 . 2 ]" 1
664 2 77 PHE H 2 78 VAL H 1.800 . 2.900 2.665 2.570 2.772 . 0 0 "[ . 1 . 2 ]" 1
665 1 77 PHE HA 1 78 VAL H 1.800 . 6.000 3.520 3.509 3.544 . 0 0 "[ . 1 . 2 ]" 1
666 2 77 PHE HA 2 78 VAL H 1.800 . 6.000 3.520 3.509 3.545 . 0 0 "[ . 1 . 2 ]" 1
667 1 77 PHE QB 1 78 VAL H 1.800 . 3.500 2.801 2.753 2.857 . 0 0 "[ . 1 . 2 ]" 1
668 2 77 PHE QB 2 78 VAL H 1.800 . 3.500 2.801 2.752 2.857 . 0 0 "[ . 1 . 2 ]" 1
669 1 77 PHE QD 1 78 VAL H 1.800 . 6.000 4.600 4.398 4.700 . 0 0 "[ . 1 . 2 ]" 1
670 2 77 PHE QD 2 78 VAL H 1.800 . 6.000 4.600 4.398 4.700 . 0 0 "[ . 1 . 2 ]" 1
671 1 78 VAL H 1 79 SER H 1.800 . 2.900 2.597 2.538 2.666 . 0 0 "[ . 1 . 2 ]" 1
672 2 78 VAL H 2 79 SER H 1.800 . 2.900 2.597 2.537 2.666 . 0 0 "[ . 1 . 2 ]" 1
673 1 78 VAL HA 1 79 SER H 1.800 . 4.200 3.532 3.517 3.545 . 0 0 "[ . 1 . 2 ]" 1
674 2 78 VAL HA 2 79 SER H 1.800 . 4.200 3.532 3.517 3.544 . 0 0 "[ . 1 . 2 ]" 1
675 1 78 VAL HB 1 79 SER H 1.800 . 2.900 2.839 2.777 2.886 . 0 0 "[ . 1 . 2 ]" 1
676 2 78 VAL HB 2 79 SER H 1.800 . 2.900 2.838 2.775 2.886 . 0 0 "[ . 1 . 2 ]" 1
677 1 78 VAL MG1 1 79 SER H 1.800 . 5.000 3.371 3.278 3.449 . 0 0 "[ . 1 . 2 ]" 1
678 2 78 VAL MG1 2 79 SER H 1.800 . 5.000 3.371 3.277 3.449 . 0 0 "[ . 1 . 2 ]" 1
679 1 78 VAL MG2 1 79 SER H 1.800 . 5.000 4.058 4.004 4.118 . 0 0 "[ . 1 . 2 ]" 1
680 2 78 VAL MG2 2 79 SER H 1.800 . 5.000 4.058 4.003 4.118 . 0 0 "[ . 1 . 2 ]" 1
681 1 79 SER H 1 80 MET H 1.800 . 2.900 2.743 2.717 2.776 . 0 0 "[ . 1 . 2 ]" 1
682 2 79 SER H 2 80 MET H 1.800 . 2.900 2.744 2.718 2.778 . 0 0 "[ . 1 . 2 ]" 1
683 1 79 SER HA 1 80 MET H 1.800 . 4.200 3.595 3.587 3.604 . 0 0 "[ . 1 . 2 ]" 1
684 2 79 SER HA 2 80 MET H 1.800 . 4.200 3.595 3.586 3.605 . 0 0 "[ . 1 . 2 ]" 1
685 1 79 SER QB 1 80 MET H 1.800 . 5.000 2.751 2.229 3.232 . 0 0 "[ . 1 . 2 ]" 1
686 2 79 SER QB 2 80 MET H 1.800 . 5.000 2.751 2.228 3.232 . 0 0 "[ . 1 . 2 ]" 1
687 1 80 MET H 1 81 VAL H 1.800 . 2.900 2.925 2.909 2.952 0.052 2 0 "[ . 1 . 2 ]" 1
688 2 80 MET H 2 81 VAL H 1.800 . 2.900 2.926 2.909 2.952 0.052 2 0 "[ . 1 . 2 ]" 1
689 1 80 MET HA 1 81 VAL H 1.800 . 4.200 3.563 3.553 3.578 . 0 0 "[ . 1 . 2 ]" 1
690 2 80 MET HA 2 81 VAL H 1.800 . 4.200 3.563 3.554 3.578 . 0 0 "[ . 1 . 2 ]" 1
691 1 80 MET QB 1 81 VAL H 1.800 . 3.500 2.534 2.257 2.688 . 0 0 "[ . 1 . 2 ]" 1
692 2 80 MET QB 2 81 VAL H 1.800 . 3.500 2.534 2.257 2.688 . 0 0 "[ . 1 . 2 ]" 1
693 1 80 MET QB 1 81 VAL MG2 1.800 . 5.000 3.051 2.878 3.161 . 0 0 "[ . 1 . 2 ]" 1
694 2 80 MET QB 2 81 VAL MG2 1.800 . 5.000 3.051 2.879 3.162 . 0 0 "[ . 1 . 2 ]" 1
695 1 80 MET QG 1 81 VAL H 1.800 . 6.000 4.080 3.730 4.216 . 0 0 "[ . 1 . 2 ]" 1
696 2 80 MET QG 2 81 VAL H 1.800 . 6.000 4.080 3.730 4.216 . 0 0 "[ . 1 . 2 ]" 1
697 1 81 VAL H 1 82 THR H 1.800 . 2.900 2.699 2.588 2.900 0.000 10 0 "[ . 1 . 2 ]" 1
698 2 81 VAL H 2 82 THR H 1.800 . 2.900 2.699 2.589 2.900 0.000 10 0 "[ . 1 . 2 ]" 1
699 1 81 VAL HA 1 82 THR H 1.800 . 4.200 3.579 3.554 3.602 . 0 0 "[ . 1 . 2 ]" 1
700 2 81 VAL HA 2 82 THR H 1.800 . 4.200 3.579 3.554 3.602 . 0 0 "[ . 1 . 2 ]" 1
701 1 81 VAL HB 1 82 THR H 1.800 . 3.500 2.470 2.193 2.674 . 0 0 "[ . 1 . 2 ]" 1
702 2 81 VAL HB 2 82 THR H 1.800 . 3.500 2.470 2.193 2.673 . 0 0 "[ . 1 . 2 ]" 1
703 1 81 VAL MG1 1 82 THR H 1.800 . 5.000 3.308 3.043 3.481 . 0 0 "[ . 1 . 2 ]" 1
704 2 81 VAL MG1 2 82 THR H 1.800 . 5.000 3.308 3.042 3.481 . 0 0 "[ . 1 . 2 ]" 1
705 1 82 THR H 1 83 THR H 1.800 . 2.900 2.652 2.527 2.809 . 0 0 "[ . 1 . 2 ]" 1
706 2 82 THR H 2 83 THR H 1.800 . 2.900 2.652 2.526 2.808 . 0 0 "[ . 1 . 2 ]" 1
707 1 82 THR HB 1 83 THR H 1.800 . 5.000 2.723 2.322 3.532 . 0 0 "[ . 1 . 2 ]" 1
708 2 82 THR HB 2 83 THR H 1.800 . 5.000 2.723 2.323 3.532 . 0 0 "[ . 1 . 2 ]" 1
709 1 82 THR HA 1 83 THR H 1.800 . 5.000 3.554 3.532 3.571 . 0 0 "[ . 1 . 2 ]" 1
710 2 82 THR HA 2 83 THR H 1.800 . 5.000 3.554 3.531 3.573 . 0 0 "[ . 1 . 2 ]" 1
711 1 83 THR H 1 84 ALA H 1.800 . 2.900 2.571 2.503 2.889 . 0 0 "[ . 1 . 2 ]" 1
712 2 83 THR H 2 84 ALA H 1.800 . 2.900 2.571 2.503 2.888 . 0 0 "[ . 1 . 2 ]" 1
713 1 83 THR HA 1 84 ALA H 1.800 . 4.200 3.478 3.443 3.590 . 0 0 "[ . 1 . 2 ]" 1
714 2 83 THR HA 2 84 ALA H 1.800 . 4.200 3.478 3.443 3.590 . 0 0 "[ . 1 . 2 ]" 1
715 1 83 THR HB 1 84 ALA H 1.800 . 5.000 3.753 2.960 4.101 . 0 0 "[ . 1 . 2 ]" 1
716 2 83 THR HB 2 84 ALA H 1.800 . 5.000 3.753 2.960 4.100 . 0 0 "[ . 1 . 2 ]" 1
717 1 83 THR MG 1 84 ALA H 1.800 . 6.000 4.041 3.923 4.166 . 0 0 "[ . 1 . 2 ]" 1
718 2 83 THR MG 2 84 ALA H 1.800 . 6.000 4.041 3.924 4.166 . 0 0 "[ . 1 . 2 ]" 1
719 1 84 ALA H 1 85 CYS H 1.800 . 3.500 2.710 2.519 2.848 . 0 0 "[ . 1 . 2 ]" 1
720 2 84 ALA H 2 85 CYS H 1.800 . 3.500 2.710 2.519 2.848 . 0 0 "[ . 1 . 2 ]" 1
721 1 84 ALA HA 1 85 CYS H 1.800 . 5.000 3.507 3.424 3.568 . 0 0 "[ . 1 . 2 ]" 1
722 2 84 ALA HA 2 85 CYS H 1.800 . 5.000 3.507 3.423 3.568 . 0 0 "[ . 1 . 2 ]" 1
723 1 84 ALA MB 1 85 CYS H 1.800 . 5.000 2.694 2.365 3.045 . 0 0 "[ . 1 . 2 ]" 1
724 2 84 ALA MB 2 85 CYS H 1.800 . 5.000 2.695 2.365 3.045 . 0 0 "[ . 1 . 2 ]" 1
725 1 88 PHE HA 1 89 PHE H 1.800 . 5.000 3.500 3.474 3.589 . 0 0 "[ . 1 . 2 ]" 1
726 2 88 PHE HA 2 89 PHE H 1.800 . 5.000 3.500 3.474 3.590 . 0 0 "[ . 1 . 2 ]" 1
727 1 88 PHE QB 1 89 PHE H 1.800 . 5.000 3.384 2.135 3.639 . 0 0 "[ . 1 . 2 ]" 1
728 2 88 PHE QB 2 89 PHE H 1.800 . 5.000 3.385 2.136 3.640 . 0 0 "[ . 1 . 2 ]" 1
729 1 88 PHE QD 1 89 PHE H 1.800 . 6.000 3.189 1.811 3.916 . 0 0 "[ . 1 . 2 ]" 1
730 2 88 PHE QD 2 89 PHE H 1.800 . 6.000 3.191 1.812 3.916 . 0 0 "[ . 1 . 2 ]" 1
731 1 88 PHE QE 1 89 PHE QE 1.800 . 5.300 2.522 2.322 3.284 . 0 0 "[ . 1 . 2 ]" 1
732 2 88 PHE QE 2 89 PHE QE 1.800 . 5.300 2.522 2.320 3.283 . 0 0 "[ . 1 . 2 ]" 1
733 1 89 PHE H 1 90 GLU H 1.800 . 5.000 2.665 2.168 2.835 . 0 0 "[ . 1 . 2 ]" 1
734 2 89 PHE H 2 90 GLU H 1.800 . 5.000 2.664 2.166 2.834 . 0 0 "[ . 1 . 2 ]" 1
735 1 89 PHE HA 1 90 GLU H 1.800 . 3.500 3.526 3.502 3.542 0.042 5 0 "[ . 1 . 2 ]" 1
736 2 89 PHE HA 2 90 GLU H 1.800 . 3.500 3.528 3.504 3.545 0.045 5 0 "[ . 1 . 2 ]" 1
737 1 89 PHE QB 1 90 GLU H 1.800 . 5.000 2.640 2.462 2.838 . 0 0 "[ . 1 . 2 ]" 1
738 2 89 PHE QB 2 90 GLU H 1.800 . 5.000 2.639 2.463 2.837 . 0 0 "[ . 1 . 2 ]" 1
739 1 89 PHE QD 1 90 GLU H 1.800 . 5.000 3.981 3.548 4.627 . 0 0 "[ . 1 . 2 ]" 1
740 2 89 PHE QD 2 90 GLU H 1.800 . 5.000 3.981 3.547 4.627 . 0 0 "[ . 1 . 2 ]" 1
741 1 90 GLU H 1 91 HIS H 1.800 . 6.000 3.540 3.240 3.849 . 0 0 "[ . 1 . 2 ]" 1
742 2 90 GLU H 2 91 HIS H 1.800 . 6.000 3.539 3.241 3.849 . 0 0 "[ . 1 . 2 ]" 1
743 1 90 GLU HA 1 91 HIS H 1.800 . 2.900 2.598 2.391 2.734 . 0 0 "[ . 1 . 2 ]" 1
744 2 90 GLU HA 2 91 HIS H 1.800 . 2.900 2.598 2.392 2.734 . 0 0 "[ . 1 . 2 ]" 1
745 1 91 HIS HA 1 92 GLU H 1.800 . 2.900 2.415 2.192 2.911 0.011 2 0 "[ . 1 . 2 ]" 1
746 2 91 HIS HA 2 92 GLU H 1.800 . 2.900 2.415 2.193 2.912 0.012 2 0 "[ . 1 . 2 ]" 1
747 1 91 HIS QB 1 92 GLU H 1.800 . 6.000 3.835 2.780 4.051 . 0 0 "[ . 1 . 2 ]" 1
748 2 91 HIS QB 2 92 GLU H 1.800 . 6.000 3.835 2.779 4.052 . 0 0 "[ . 1 . 2 ]" 1
749 1 2 SER H 1 4 LEU H 1.800 . 6.000 4.989 4.791 5.149 . 0 0 "[ . 1 . 2 ]" 1
750 2 2 SER H 2 4 LEU H 1.800 . 6.000 4.988 4.791 5.148 . 0 0 "[ . 1 . 2 ]" 1
751 1 3 GLU H 1 5 GLU H 1.800 . 6.000 4.524 4.278 4.669 . 0 0 "[ . 1 . 2 ]" 1
752 2 3 GLU H 2 5 GLU H 1.800 . 6.000 4.524 4.277 4.668 . 0 0 "[ . 1 . 2 ]" 1
753 1 3 GLU HA 1 6 LYS QB 1.800 . 3.300 2.869 2.556 3.312 0.012 4 0 "[ . 1 . 2 ]" 1
754 2 3 GLU HA 2 6 LYS QB 1.800 . 3.300 2.869 2.556 3.311 0.011 4 0 "[ . 1 . 2 ]" 1
755 1 4 LEU HA 1 7 ALA MB 1.800 . 3.300 2.705 2.584 2.939 . 0 0 "[ . 1 . 2 ]" 1
756 2 4 LEU HA 2 7 ALA MB 1.800 . 3.300 2.705 2.583 2.938 . 0 0 "[ . 1 . 2 ]" 1
757 1 3 GLU HA 1 5 GLU H 1.800 . 6.000 4.616 4.298 4.816 . 0 0 "[ . 1 . 2 ]" 1
758 2 3 GLU HA 2 5 GLU H 1.800 . 6.000 4.616 4.298 4.816 . 0 0 "[ . 1 . 2 ]" 1
759 1 5 GLU HA 1 8 MET QB 1.800 . 4.200 2.388 2.283 2.724 . 0 0 "[ . 1 . 2 ]" 1
760 2 5 GLU HA 2 8 MET QB 1.800 . 4.200 2.388 2.285 2.725 . 0 0 "[ . 1 . 2 ]" 1
761 1 3 GLU HA 1 6 LYS H 1.800 . 5.000 3.572 3.455 3.704 . 0 0 "[ . 1 . 2 ]" 1
762 2 3 GLU HA 2 6 LYS H 1.800 . 5.000 3.571 3.455 3.703 . 0 0 "[ . 1 . 2 ]" 1
763 1 4 LEU HA 1 6 LYS H 1.800 . 6.000 4.486 4.310 4.593 . 0 0 "[ . 1 . 2 ]" 1
764 2 4 LEU HA 2 6 LYS H 1.800 . 6.000 4.486 4.310 4.592 . 0 0 "[ . 1 . 2 ]" 1
765 1 6 LYS HA 1 9 VAL HB 1.800 . 4.200 3.813 3.516 4.172 . 0 0 "[ . 1 . 2 ]" 1
766 2 6 LYS HA 2 9 VAL HB 1.800 . 4.200 3.813 3.515 4.172 . 0 0 "[ . 1 . 2 ]" 1
767 1 3 GLU HA 1 7 ALA H 1.800 . 5.000 4.594 4.285 4.890 . 0 0 "[ . 1 . 2 ]" 1
768 2 3 GLU HA 2 7 ALA H 1.800 . 5.000 4.594 4.286 4.889 . 0 0 "[ . 1 . 2 ]" 1
769 1 4 LEU HA 1 7 ALA H 1.800 . 5.000 3.420 3.316 3.594 . 0 0 "[ . 1 . 2 ]" 1
770 2 4 LEU HA 2 7 ALA H 1.800 . 5.000 3.419 3.316 3.593 . 0 0 "[ . 1 . 2 ]" 1
771 1 5 GLU H 1 7 ALA H 1.800 . 5.000 4.255 4.161 4.360 . 0 0 "[ . 1 . 2 ]" 1
772 2 5 GLU H 2 7 ALA H 1.800 . 5.000 4.255 4.161 4.359 . 0 0 "[ . 1 . 2 ]" 1
773 1 7 ALA HA 1 10 ALA MB 1.800 . 3.300 2.216 2.082 2.440 . 0 0 "[ . 1 . 2 ]" 1
774 2 7 ALA HA 2 10 ALA MB 1.800 . 3.300 2.216 2.081 2.440 . 0 0 "[ . 1 . 2 ]" 1
775 1 4 LEU HA 1 8 MET H 1.800 . 5.000 4.310 4.031 4.499 . 0 0 "[ . 1 . 2 ]" 1
776 2 4 LEU HA 2 8 MET H 1.800 . 5.000 4.310 4.031 4.498 . 0 0 "[ . 1 . 2 ]" 1
777 1 5 GLU HA 1 8 MET H 1.800 . 4.200 3.105 3.025 3.257 . 0 0 "[ . 1 . 2 ]" 1
778 2 5 GLU HA 2 8 MET H 1.800 . 4.200 3.105 3.024 3.257 . 0 0 "[ . 1 . 2 ]" 1
779 1 6 LYS H 1 8 MET H 1.800 . 5.000 4.118 4.038 4.276 . 0 0 "[ . 1 . 2 ]" 1
780 2 6 LYS H 2 8 MET H 1.800 . 5.000 4.118 4.039 4.274 . 0 0 "[ . 1 . 2 ]" 1
781 1 6 LYS HA 1 8 MET H 1.800 . 6.000 4.489 4.320 4.723 . 0 0 "[ . 1 . 2 ]" 1
782 2 6 LYS HA 2 8 MET H 1.800 . 6.000 4.489 4.322 4.721 . 0 0 "[ . 1 . 2 ]" 1
783 1 6 LYS HA 1 9 VAL H 1.800 . 5.000 4.083 3.957 4.225 . 0 0 "[ . 1 . 2 ]" 1
784 2 6 LYS HA 2 9 VAL H 1.800 . 5.000 4.083 3.958 4.225 . 0 0 "[ . 1 . 2 ]" 1
785 1 9 VAL HA 1 12 ILE HB 1.800 . 3.300 3.180 2.890 3.325 0.025 14 0 "[ . 1 . 2 ]" 1
786 2 9 VAL HA 2 12 ILE HB 1.800 . 3.300 3.180 2.890 3.324 0.024 14 0 "[ . 1 . 2 ]" 1
787 1 6 LYS HA 1 10 ALA H 1.800 . 5.000 4.507 4.198 4.962 . 0 0 "[ . 1 . 2 ]" 1
788 2 6 LYS HA 2 10 ALA H 1.800 . 5.000 4.507 4.199 4.962 . 0 0 "[ . 1 . 2 ]" 1
789 1 7 ALA HA 1 10 ALA H 1.800 . 4.200 3.116 2.946 3.254 . 0 0 "[ . 1 . 2 ]" 1
790 2 7 ALA HA 2 10 ALA H 1.800 . 4.200 3.116 2.947 3.254 . 0 0 "[ . 1 . 2 ]" 1
791 1 8 MET H 1 10 ALA H 1.800 . 5.000 3.926 3.839 4.026 . 0 0 "[ . 1 . 2 ]" 1
792 2 8 MET H 2 10 ALA H 1.800 . 5.000 3.926 3.840 4.027 . 0 0 "[ . 1 . 2 ]" 1
793 1 10 ALA H 1 12 ILE H 1.800 . 5.000 4.360 4.205 4.536 . 0 0 "[ . 1 . 2 ]" 1
794 2 10 ALA H 2 12 ILE H 1.800 . 5.000 4.360 4.204 4.536 . 0 0 "[ . 1 . 2 ]" 1
795 1 10 ALA HA 1 13 ASP QB 1.800 . 3.300 2.515 2.135 3.058 . 0 0 "[ . 1 . 2 ]" 1
796 2 10 ALA HA 2 13 ASP QB 1.800 . 3.300 2.515 2.135 3.058 . 0 0 "[ . 1 . 2 ]" 1
797 1 7 ALA HA 1 11 LEU H 1.800 . 5.000 3.845 3.618 4.144 . 0 0 "[ . 1 . 2 ]" 1
798 2 7 ALA HA 2 11 LEU H 1.800 . 5.000 3.845 3.619 4.145 . 0 0 "[ . 1 . 2 ]" 1
799 1 8 MET HA 1 11 LEU H 1.800 . 5.000 3.717 3.491 3.886 . 0 0 "[ . 1 . 2 ]" 1
800 2 8 MET HA 2 11 LEU H 1.800 . 5.000 3.717 3.491 3.886 . 0 0 "[ . 1 . 2 ]" 1
801 1 8 MET HA 1 11 LEU QB 1.800 . 5.000 3.117 2.914 3.516 . 0 0 "[ . 1 . 2 ]" 1
802 2 8 MET HA 2 11 LEU QB 1.800 . 5.000 3.117 2.914 3.515 . 0 0 "[ . 1 . 2 ]" 1
803 1 8 MET HA 1 11 LEU QD 1.800 . 3.300 2.466 2.272 3.328 0.028 18 0 "[ . 1 . 2 ]" 1
804 2 8 MET HA 2 11 LEU QD 1.800 . 3.300 2.465 2.272 3.327 0.027 18 0 "[ . 1 . 2 ]" 1
805 1 9 VAL HA 1 11 LEU H 1.800 . 6.000 4.521 4.441 4.666 . 0 0 "[ . 1 . 2 ]" 1
806 2 9 VAL HA 2 11 LEU H 1.800 . 6.000 4.521 4.440 4.665 . 0 0 "[ . 1 . 2 ]" 1
807 1 9 VAL H 1 11 LEU H 1.800 . 5.000 4.377 4.302 4.479 . 0 0 "[ . 1 . 2 ]" 1
808 2 9 VAL H 2 11 LEU H 1.800 . 5.000 4.377 4.302 4.479 . 0 0 "[ . 1 . 2 ]" 1
809 1 11 LEU H 1 13 ASP H 1.800 . 5.000 4.197 4.140 4.284 . 0 0 "[ . 1 . 2 ]" 1
810 2 11 LEU H 2 13 ASP H 1.800 . 5.000 4.197 4.139 4.282 . 0 0 "[ . 1 . 2 ]" 1
811 1 11 LEU HA 1 14 VAL HB 1.800 . 3.300 3.315 3.112 3.392 0.092 9 0 "[ . 1 . 2 ]" 1
812 2 11 LEU HA 2 14 VAL HB 1.800 . 3.300 3.315 3.112 3.392 0.092 9 0 "[ . 1 . 2 ]" 1
813 1 11 LEU QD 1 14 VAL HB 1.800 . 5.000 4.284 3.814 4.882 . 0 0 "[ . 1 . 2 ]" 1
814 2 11 LEU QD 2 14 VAL HB 1.800 . 5.000 4.284 3.814 4.882 . 0 0 "[ . 1 . 2 ]" 1
815 1 11 LEU QD 1 14 VAL QG 1.800 . 5.000 4.061 3.672 4.462 . 0 0 "[ . 1 . 2 ]" 1
816 2 11 LEU QD 2 14 VAL QG 1.800 . 5.000 4.061 3.672 4.462 . 0 0 "[ . 1 . 2 ]" 1
817 1 9 VAL HA 1 12 ILE H 1.800 . 5.000 3.563 3.402 3.826 . 0 0 "[ . 1 . 2 ]" 1
818 2 9 VAL HA 2 12 ILE H 1.800 . 5.000 3.563 3.401 3.825 . 0 0 "[ . 1 . 2 ]" 1
819 1 10 ALA HA 1 12 ILE H 1.800 . 6.000 4.461 4.076 4.902 . 0 0 "[ . 1 . 2 ]" 1
820 2 10 ALA HA 2 12 ILE H 1.800 . 6.000 4.461 4.076 4.901 . 0 0 "[ . 1 . 2 ]" 1
821 1 9 VAL HA 1 13 ASP H 1.800 . 5.000 4.444 4.015 4.796 . 0 0 "[ . 1 . 2 ]" 1
822 2 9 VAL HA 2 13 ASP H 1.800 . 5.000 4.444 4.015 4.797 . 0 0 "[ . 1 . 2 ]" 1
823 1 10 ALA HA 1 13 ASP H 1.800 . 5.000 3.274 3.008 3.662 . 0 0 "[ . 1 . 2 ]" 1
824 2 10 ALA HA 2 13 ASP H 1.800 . 5.000 3.273 3.007 3.662 . 0 0 "[ . 1 . 2 ]" 1
825 1 11 LEU HA 1 13 ASP H 1.800 . 6.000 4.451 4.322 4.583 . 0 0 "[ . 1 . 2 ]" 1
826 2 11 LEU HA 2 13 ASP H 1.800 . 6.000 4.451 4.321 4.582 . 0 0 "[ . 1 . 2 ]" 1
827 1 13 ASP HA 1 16 HIS QB 1.800 . 5.000 3.139 2.575 3.551 . 0 0 "[ . 1 . 2 ]" 1
828 2 13 ASP HA 2 16 HIS QB 1.800 . 5.000 3.139 2.575 3.550 . 0 0 "[ . 1 . 2 ]" 1
829 1 10 ALA HA 1 14 VAL H 1.800 . 5.000 4.252 3.967 4.419 . 0 0 "[ . 1 . 2 ]" 1
830 2 10 ALA HA 2 14 VAL H 1.800 . 5.000 4.252 3.967 4.419 . 0 0 "[ . 1 . 2 ]" 1
831 1 11 LEU HA 1 14 VAL H 1.800 . 3.500 3.632 3.586 3.682 0.182 18 0 "[ . 1 . 2 ]" 1
832 2 11 LEU HA 2 14 VAL H 1.800 . 3.500 3.632 3.586 3.681 0.181 18 0 "[ . 1 . 2 ]" 1
833 1 12 ILE H 1 14 VAL H 1.800 . 5.000 4.390 4.332 4.456 . 0 0 "[ . 1 . 2 ]" 1
834 2 12 ILE H 2 14 VAL H 1.800 . 5.000 4.390 4.332 4.456 . 0 0 "[ . 1 . 2 ]" 1
835 1 12 ILE HA 1 14 VAL H 1.800 . 6.000 4.532 4.457 4.604 . 0 0 "[ . 1 . 2 ]" 1
836 2 12 ILE HA 2 14 VAL H 1.800 . 6.000 4.532 4.457 4.604 . 0 0 "[ . 1 . 2 ]" 1
837 1 14 VAL HA 1 17 GLN QB 1.800 . 3.300 2.308 2.236 2.662 . 0 0 "[ . 1 . 2 ]" 1
838 2 14 VAL HA 2 17 GLN QB 1.800 . 3.300 2.308 2.237 2.661 . 0 0 "[ . 1 . 2 ]" 1
839 1 14 VAL MG1 1 17 GLN QG 1.800 . 5.000 4.232 3.401 4.629 . 0 0 "[ . 1 . 2 ]" 1
840 2 14 VAL MG1 2 17 GLN QG 1.800 . 5.000 4.232 3.401 4.629 . 0 0 "[ . 1 . 2 ]" 1
841 1 14 VAL MG1 1 18 TYR QD 1.800 . 4.200 2.961 2.732 3.195 . 0 0 "[ . 1 . 2 ]" 1
842 2 14 VAL MG1 2 18 TYR QD 1.800 . 4.200 2.961 2.732 3.196 . 0 0 "[ . 1 . 2 ]" 1
843 1 11 LEU HA 1 15 PHE H 1.800 . 5.000 4.062 3.778 4.397 . 0 0 "[ . 1 . 2 ]" 1
844 2 11 LEU HA 2 15 PHE H 1.800 . 5.000 4.063 3.779 4.397 . 0 0 "[ . 1 . 2 ]" 1
845 1 12 ILE HA 1 15 PHE H 1.800 . 5.000 3.521 3.245 3.758 . 0 0 "[ . 1 . 2 ]" 1
846 2 12 ILE HA 2 15 PHE H 1.800 . 5.000 3.521 3.245 3.757 . 0 0 "[ . 1 . 2 ]" 1
847 1 12 ILE HA 1 15 PHE QB 1.800 . 5.000 2.669 2.299 3.112 . 0 0 "[ . 1 . 2 ]" 1
848 2 12 ILE HA 2 15 PHE QB 1.800 . 5.000 2.668 2.299 3.111 . 0 0 "[ . 1 . 2 ]" 1
849 1 13 ASP H 1 15 PHE H 1.800 . 5.000 4.264 4.093 4.436 . 0 0 "[ . 1 . 2 ]" 1
850 2 13 ASP H 2 15 PHE H 1.800 . 5.000 4.264 4.094 4.435 . 0 0 "[ . 1 . 2 ]" 1
851 1 15 PHE H 1 17 GLN H 1.800 . 5.000 4.043 3.920 4.150 . 0 0 "[ . 1 . 2 ]" 1
852 2 15 PHE H 2 17 GLN H 1.800 . 5.000 4.043 3.920 4.150 . 0 0 "[ . 1 . 2 ]" 1
853 1 15 PHE HA 1 18 TYR QB 1.800 . 5.000 3.838 3.676 3.993 . 0 0 "[ . 1 . 2 ]" 1
854 2 15 PHE HA 2 18 TYR QB 1.800 . 5.000 3.837 3.675 3.995 . 0 0 "[ . 1 . 2 ]" 1
855 1 12 ILE HA 1 16 HIS H 1.800 . 5.000 4.036 3.494 4.590 . 0 0 "[ . 1 . 2 ]" 1
856 2 12 ILE HA 2 16 HIS H 1.800 . 5.000 4.036 3.493 4.590 . 0 0 "[ . 1 . 2 ]" 1
857 1 14 VAL H 1 16 HIS H 1.800 . 5.000 4.028 3.886 4.186 . 0 0 "[ . 1 . 2 ]" 1
858 2 14 VAL H 2 16 HIS H 1.800 . 5.000 4.028 3.887 4.186 . 0 0 "[ . 1 . 2 ]" 1
859 1 14 VAL HA 1 16 HIS H 1.800 . 6.000 4.004 3.833 4.189 . 0 0 "[ . 1 . 2 ]" 1
860 2 14 VAL HA 2 16 HIS H 1.800 . 6.000 4.005 3.833 4.189 . 0 0 "[ . 1 . 2 ]" 1
861 1 14 VAL HA 1 17 GLN H 1.800 . 5.000 2.938 2.792 3.120 . 0 0 "[ . 1 . 2 ]" 1
862 2 14 VAL HA 2 17 GLN H 1.800 . 5.000 2.938 2.791 3.120 . 0 0 "[ . 1 . 2 ]" 1
863 1 14 VAL MG1 1 17 GLN H 1.800 . 6.000 4.194 4.039 4.400 . 0 0 "[ . 1 . 2 ]" 1
864 2 14 VAL MG1 2 17 GLN H 1.800 . 6.000 4.194 4.040 4.400 . 0 0 "[ . 1 . 2 ]" 1
865 1 14 VAL HA 1 18 TYR H 1.800 . 5.000 4.381 4.180 4.576 . 0 0 "[ . 1 . 2 ]" 1
866 2 14 VAL HA 2 18 TYR H 1.800 . 5.000 4.380 4.180 4.576 . 0 0 "[ . 1 . 2 ]" 1
867 1 16 HIS HA 1 18 TYR H 1.800 . 6.000 4.320 4.232 4.392 . 0 0 "[ . 1 . 2 ]" 1
868 2 16 HIS HA 2 18 TYR H 1.800 . 6.000 4.320 4.231 4.394 . 0 0 "[ . 1 . 2 ]" 1
869 1 16 HIS HA 1 19 SER H 1.800 . 5.000 3.286 3.113 3.375 . 0 0 "[ . 1 . 2 ]" 1
870 2 16 HIS HA 2 19 SER H 1.800 . 5.000 3.286 3.112 3.376 . 0 0 "[ . 1 . 2 ]" 1
871 1 17 GLN H 1 19 SER H 1.800 . 5.000 4.285 4.140 4.357 . 0 0 "[ . 1 . 2 ]" 1
872 2 17 GLN H 2 19 SER H 1.800 . 5.000 4.285 4.140 4.358 . 0 0 "[ . 1 . 2 ]" 1
873 1 25 LYS HA 1 27 LYS H 1.800 . 6.000 4.460 4.032 4.664 . 0 0 "[ . 1 . 2 ]" 1
874 2 25 LYS HA 2 27 LYS H 1.800 . 6.000 4.460 4.031 4.664 . 0 0 "[ . 1 . 2 ]" 1
875 1 28 LEU QD 1 32 GLU QB 1.800 . 6.000 2.546 2.001 2.917 . 0 0 "[ . 1 . 2 ]" 1
876 2 28 LEU QD 2 32 GLU QB 1.800 . 6.000 2.546 2.001 2.918 . 0 0 "[ . 1 . 2 ]" 1
877 1 28 LEU QD 1 33 LEU HA 1.800 . 5.000 2.458 2.252 3.176 . 0 0 "[ . 1 . 2 ]" 1
878 2 28 LEU QD 2 33 LEU HA 1.800 . 5.000 2.458 2.252 3.176 . 0 0 "[ . 1 . 2 ]" 1
879 1 30 LYS H 1 32 GLU H 1.800 . 6.000 4.377 4.293 4.441 . 0 0 "[ . 1 . 2 ]" 1
880 2 30 LYS H 2 32 GLU H 1.800 . 6.000 4.378 4.293 4.442 . 0 0 "[ . 1 . 2 ]" 1
881 1 29 LYS HA 1 31 SER H 1.800 . 6.000 4.321 4.218 4.394 . 0 0 "[ . 1 . 2 ]" 1
882 2 29 LYS HA 2 31 SER H 1.800 . 6.000 4.322 4.218 4.394 . 0 0 "[ . 1 . 2 ]" 1
883 1 29 LYS QB 1 31 SER H 1.800 . 6.000 2.873 2.656 3.356 . 0 0 "[ . 1 . 2 ]" 1
884 2 29 LYS QB 2 31 SER H 1.800 . 6.000 2.873 2.656 3.356 . 0 0 "[ . 1 . 2 ]" 1
885 1 29 LYS H 1 32 GLU H 1.800 . 6.000 4.020 3.849 4.166 . 0 0 "[ . 1 . 2 ]" 1
886 2 29 LYS H 2 32 GLU H 1.800 . 6.000 4.020 3.850 4.167 . 0 0 "[ . 1 . 2 ]" 1
887 1 32 GLU HA 1 35 GLU QB 1.800 . 4.200 3.098 2.856 3.355 . 0 0 "[ . 1 . 2 ]" 1
888 2 32 GLU HA 2 35 GLU QB 1.800 . 4.200 3.098 2.855 3.356 . 0 0 "[ . 1 . 2 ]" 1
889 1 30 LYS HA 1 33 LEU H 1.800 . 3.500 3.389 3.247 3.512 0.012 7 0 "[ . 1 . 2 ]" 1
890 2 30 LYS HA 2 33 LEU H 1.800 . 3.500 3.389 3.247 3.512 0.012 7 0 "[ . 1 . 2 ]" 1
891 1 30 LYS HA 1 33 LEU QD 1.800 . 5.000 3.156 2.993 3.346 . 0 0 "[ . 1 . 2 ]" 1
892 2 30 LYS HA 2 33 LEU QD 1.800 . 5.000 3.156 2.993 3.345 . 0 0 "[ . 1 . 2 ]" 1
893 1 31 SER H 1 33 LEU H 1.800 . 5.000 4.090 3.964 4.222 . 0 0 "[ . 1 . 2 ]" 1
894 2 31 SER H 2 33 LEU H 1.800 . 5.000 4.091 3.964 4.222 . 0 0 "[ . 1 . 2 ]" 1
895 1 31 SER HA 1 33 LEU H 1.800 . 6.000 4.537 4.402 4.752 . 0 0 "[ . 1 . 2 ]" 1
896 2 31 SER HA 2 33 LEU H 1.800 . 6.000 4.537 4.401 4.753 . 0 0 "[ . 1 . 2 ]" 1
897 1 33 LEU QD 1 37 ILE MD 1.800 . 3.300 2.588 2.203 3.151 . 0 0 "[ . 1 . 2 ]" 1
898 2 33 LEU QD 2 37 ILE MD 1.800 . 3.300 2.588 2.204 3.151 . 0 0 "[ . 1 . 2 ]" 1
899 1 30 LYS HA 1 34 LYS H 1.800 . 5.000 3.831 3.530 4.053 . 0 0 "[ . 1 . 2 ]" 1
900 2 30 LYS HA 2 34 LYS H 1.800 . 5.000 3.831 3.530 4.053 . 0 0 "[ . 1 . 2 ]" 1
901 1 31 SER HA 1 34 LYS H 1.800 . 4.200 3.778 3.630 3.886 . 0 0 "[ . 1 . 2 ]" 1
902 2 31 SER HA 2 34 LYS H 1.800 . 4.200 3.778 3.631 3.888 . 0 0 "[ . 1 . 2 ]" 1
903 1 31 SER HA 1 34 LYS QB 1.800 . 4.200 3.213 3.128 3.285 . 0 0 "[ . 1 . 2 ]" 1
904 2 31 SER HA 2 34 LYS QB 1.800 . 4.200 3.213 3.129 3.285 . 0 0 "[ . 1 . 2 ]" 1
905 1 32 GLU H 1 34 LYS H 1.800 . 5.000 4.112 4.041 4.180 . 0 0 "[ . 1 . 2 ]" 1
906 2 32 GLU H 2 34 LYS H 1.800 . 5.000 4.112 4.041 4.180 . 0 0 "[ . 1 . 2 ]" 1
907 1 31 SER HA 1 35 GLU H 1.800 . 5.000 4.635 4.522 4.753 . 0 0 "[ . 1 . 2 ]" 1
908 2 31 SER HA 2 35 GLU H 1.800 . 5.000 4.635 4.521 4.753 . 0 0 "[ . 1 . 2 ]" 1
909 1 32 GLU HA 1 35 GLU H 1.800 . 5.000 3.583 3.458 3.865 . 0 0 "[ . 1 . 2 ]" 1
910 2 32 GLU HA 2 35 GLU H 1.800 . 5.000 3.583 3.457 3.866 . 0 0 "[ . 1 . 2 ]" 1
911 1 33 LEU H 1 35 GLU H 1.800 . 5.000 4.540 4.436 4.630 . 0 0 "[ . 1 . 2 ]" 1
912 2 33 LEU H 2 35 GLU H 1.800 . 5.000 4.540 4.436 4.630 . 0 0 "[ . 1 . 2 ]" 1
913 1 33 LEU HA 1 35 GLU H 1.800 . 6.000 4.737 4.670 4.779 . 0 0 "[ . 1 . 2 ]" 1
914 2 33 LEU HA 2 35 GLU H 1.800 . 6.000 4.737 4.670 4.780 . 0 0 "[ . 1 . 2 ]" 1
915 1 33 LEU HA 1 36 LEU H 1.800 . 4.200 3.310 3.239 3.398 . 0 0 "[ . 1 . 2 ]" 1
916 2 33 LEU HA 2 36 LEU H 1.800 . 4.200 3.311 3.240 3.398 . 0 0 "[ . 1 . 2 ]" 1
917 1 33 LEU HA 1 36 LEU QB 1.800 . 4.200 2.510 2.308 2.827 . 0 0 "[ . 1 . 2 ]" 1
918 2 33 LEU HA 2 36 LEU QB 1.800 . 4.200 2.510 2.308 2.828 . 0 0 "[ . 1 . 2 ]" 1
919 1 33 LEU QD 1 36 LEU QD 1.800 . 5.000 2.868 2.355 3.837 . 0 0 "[ . 1 . 2 ]" 1
920 2 33 LEU QD 2 36 LEU QD 1.800 . 5.000 2.868 2.355 3.837 . 0 0 "[ . 1 . 2 ]" 1
921 1 34 LYS H 1 36 LEU H 1.800 . 5.000 4.087 4.032 4.167 . 0 0 "[ . 1 . 2 ]" 1
922 2 34 LYS H 2 36 LEU H 1.800 . 5.000 4.087 4.032 4.167 . 0 0 "[ . 1 . 2 ]" 1
923 1 36 LEU H 1 38 ASN H 1.800 . 5.000 4.091 4.012 4.228 . 0 0 "[ . 1 . 2 ]" 1
924 2 36 LEU H 2 38 ASN H 1.800 . 5.000 4.090 4.012 4.229 . 0 0 "[ . 1 . 2 ]" 1
925 1 36 LEU HA 1 39 ASN QB 1.800 . 5.000 3.386 3.152 3.670 . 0 0 "[ . 1 . 2 ]" 1
926 2 36 LEU HA 2 39 ASN QB 1.800 . 5.000 3.386 3.152 3.669 . 0 0 "[ . 1 . 2 ]" 1
927 1 33 LEU HA 1 37 ILE H 1.800 . 5.000 4.318 3.988 4.573 . 0 0 "[ . 1 . 2 ]" 1
928 2 33 LEU HA 2 37 ILE H 1.800 . 5.000 4.319 3.989 4.574 . 0 0 "[ . 1 . 2 ]" 1
929 1 34 LYS HA 1 37 ILE H 1.800 . 4.200 3.241 3.131 3.387 . 0 0 "[ . 1 . 2 ]" 1
930 2 34 LYS HA 2 37 ILE H 1.800 . 4.200 3.241 3.131 3.387 . 0 0 "[ . 1 . 2 ]" 1
931 1 34 LYS HA 1 37 ILE HB 1.800 . 5.000 2.929 2.581 3.222 . 0 0 "[ . 1 . 2 ]" 1
932 2 34 LYS HA 2 37 ILE HB 1.800 . 5.000 2.929 2.580 3.222 . 0 0 "[ . 1 . 2 ]" 1
933 1 35 GLU H 1 37 ILE H 1.800 . 5.000 4.393 4.249 4.553 . 0 0 "[ . 1 . 2 ]" 1
934 2 35 GLU H 2 37 ILE H 1.800 . 5.000 4.393 4.249 4.553 . 0 0 "[ . 1 . 2 ]" 1
935 1 37 ILE H 1 39 ASN H 1.800 . 5.000 4.407 4.164 4.756 . 0 0 "[ . 1 . 2 ]" 1
936 2 37 ILE H 2 39 ASN H 1.800 . 5.000 4.408 4.164 4.757 . 0 0 "[ . 1 . 2 ]" 1
937 1 34 LYS HA 1 38 ASN H 1.800 . 5.000 4.469 4.330 4.627 . 0 0 "[ . 1 . 2 ]" 1
938 2 34 LYS HA 2 38 ASN H 1.800 . 5.000 4.468 4.329 4.628 . 0 0 "[ . 1 . 2 ]" 1
939 1 35 GLU HA 1 38 ASN H 1.800 . 3.500 3.480 3.225 3.543 0.043 10 0 "[ . 1 . 2 ]" 1
940 2 35 GLU HA 2 38 ASN H 1.800 . 3.500 3.480 3.224 3.543 0.043 10 0 "[ . 1 . 2 ]" 1
941 1 35 GLU HA 1 38 ASN QB 1.800 . 4.200 2.918 2.628 3.239 . 0 0 "[ . 1 . 2 ]" 1
942 2 35 GLU HA 2 38 ASN QB 1.800 . 4.200 2.918 2.627 3.239 . 0 0 "[ . 1 . 2 ]" 1
943 1 38 ASN H 1 40 GLU H 1.800 . 6.000 3.979 3.810 4.192 . 0 0 "[ . 1 . 2 ]" 1
944 2 38 ASN H 2 40 GLU H 1.800 . 6.000 3.979 3.811 4.191 . 0 0 "[ . 1 . 2 ]" 1
945 1 35 GLU HA 1 39 ASN H 1.800 . 5.000 4.749 4.465 4.915 . 0 0 "[ . 1 . 2 ]" 1
946 2 35 GLU HA 2 39 ASN H 1.800 . 5.000 4.749 4.465 4.915 . 0 0 "[ . 1 . 2 ]" 1
947 1 36 LEU HA 1 39 ASN H 1.800 . 4.200 3.415 3.238 3.610 . 0 0 "[ . 1 . 2 ]" 1
948 2 36 LEU HA 2 39 ASN H 1.800 . 4.200 3.415 3.239 3.611 . 0 0 "[ . 1 . 2 ]" 1
949 1 36 LEU HA 1 40 GLU H 1.800 . 5.000 4.243 3.730 4.693 . 0 0 "[ . 1 . 2 ]" 1
950 2 36 LEU HA 2 40 GLU H 1.800 . 5.000 4.244 3.729 4.694 . 0 0 "[ . 1 . 2 ]" 1
951 1 37 ILE HA 1 40 GLU H 1.800 . 6.000 3.487 3.099 3.780 . 0 0 "[ . 1 . 2 ]" 1
952 2 37 ILE HA 2 40 GLU H 1.800 . 6.000 3.487 3.099 3.780 . 0 0 "[ . 1 . 2 ]" 1
953 1 36 LEU QD 1 41 LEU QD 1.800 . 5.000 4.630 3.149 5.003 0.003 16 0 "[ . 1 . 2 ]" 1
954 2 36 LEU QD 2 41 LEU QD 1.800 . 5.000 4.630 3.149 5.003 0.003 16 0 "[ . 1 . 2 ]" 1
955 1 37 ILE HA 1 41 LEU H 1.800 . 5.000 3.284 2.910 3.739 . 0 0 "[ . 1 . 2 ]" 1
956 2 37 ILE HA 2 41 LEU H 1.800 . 5.000 3.284 2.911 3.739 . 0 0 "[ . 1 . 2 ]" 1
957 1 37 ILE HA 1 41 LEU QD 1.800 . 3.300 2.853 2.355 3.334 0.034 10 0 "[ . 1 . 2 ]" 1
958 2 37 ILE HA 2 41 LEU QD 1.800 . 3.300 2.853 2.355 3.333 0.033 10 0 "[ . 1 . 2 ]" 1
959 1 38 ASN HA 1 41 LEU H 1.800 . 6.000 4.302 3.846 4.686 . 0 0 "[ . 1 . 2 ]" 1
960 2 38 ASN HA 2 41 LEU H 1.800 . 6.000 4.302 3.845 4.686 . 0 0 "[ . 1 . 2 ]" 1
961 1 41 LEU QD 1 44 PHE QE 1.800 . 5.000 3.896 3.166 4.773 . 0 0 "[ . 1 . 2 ]" 1
962 2 41 LEU QD 2 44 PHE QE 1.800 . 5.000 3.895 3.166 4.773 . 0 0 "[ . 1 . 2 ]" 1
963 1 38 ASN HA 1 42 SER H 1.800 . 6.000 5.064 4.500 5.632 . 0 0 "[ . 1 . 2 ]" 1
964 2 38 ASN HA 2 42 SER H 1.800 . 6.000 5.064 4.499 5.632 . 0 0 "[ . 1 . 2 ]" 1
965 1 40 GLU H 1 42 SER H 1.800 . 6.000 3.707 3.196 3.995 . 0 0 "[ . 1 . 2 ]" 1
966 2 40 GLU H 2 42 SER H 1.800 . 6.000 3.707 3.195 3.995 . 0 0 "[ . 1 . 2 ]" 1
967 1 41 LEU HA 1 43 HIS H 1.800 . 6.000 3.544 3.313 4.185 . 0 0 "[ . 1 . 2 ]" 1
968 2 41 LEU HA 2 43 HIS H 1.800 . 6.000 3.544 3.313 4.185 . 0 0 "[ . 1 . 2 ]" 1
969 1 41 LEU HA 1 44 PHE H 1.800 . 6.000 3.414 3.170 3.570 . 0 0 "[ . 1 . 2 ]" 1
970 2 41 LEU HA 2 44 PHE H 1.800 . 6.000 3.414 3.169 3.570 . 0 0 "[ . 1 . 2 ]" 1
971 1 41 LEU QD 1 44 PHE H 1.800 . 6.000 4.207 3.617 4.727 . 0 0 "[ . 1 . 2 ]" 1
972 2 41 LEU QD 2 44 PHE H 1.800 . 6.000 4.207 3.617 4.727 . 0 0 "[ . 1 . 2 ]" 1
973 1 41 LEU QD 1 44 PHE QD 1.800 . 5.000 2.995 2.310 3.935 . 0 0 "[ . 1 . 2 ]" 1
974 2 41 LEU QD 2 44 PHE QD 1.800 . 5.000 2.995 2.311 3.935 . 0 0 "[ . 1 . 2 ]" 1
975 1 45 LEU QD 1 48 ILE MD 1.800 . 3.300 2.832 2.008 3.339 0.039 16 0 "[ . 1 . 2 ]" 1
976 2 45 LEU QD 2 48 ILE MD 1.800 . 3.300 2.832 2.008 3.340 0.040 16 0 "[ . 1 . 2 ]" 1
977 1 45 LEU QD 1 48 ILE QG 1.800 . 5.000 2.855 2.196 3.988 . 0 0 "[ . 1 . 2 ]" 1
978 2 45 LEU QD 2 48 ILE QG 1.800 . 5.000 2.855 2.196 3.988 . 0 0 "[ . 1 . 2 ]" 1
979 1 45 LEU HA 1 47 GLU H 1.800 . 5.000 4.429 4.050 4.610 . 0 0 "[ . 1 . 2 ]" 1
980 2 45 LEU HA 2 47 GLU H 1.800 . 5.000 4.429 4.050 4.610 . 0 0 "[ . 1 . 2 ]" 1
981 1 45 LEU QD 1 47 GLU H 1.800 . 5.000 4.883 4.566 5.093 0.093 20 0 "[ . 1 . 2 ]" 1
982 2 45 LEU QD 2 47 GLU H 1.800 . 5.000 4.883 4.566 5.094 0.094 20 0 "[ . 1 . 2 ]" 1
983 1 45 LEU HA 1 48 ILE MD 1.800 . 5.000 2.627 2.066 3.108 . 0 0 "[ . 1 . 2 ]" 1
984 2 45 LEU HA 2 48 ILE MD 1.800 . 5.000 2.628 2.065 3.108 . 0 0 "[ . 1 . 2 ]" 1
985 1 45 LEU QD 1 48 ILE MG 1.800 . 5.000 3.713 3.290 4.383 . 0 0 "[ . 1 . 2 ]" 1
986 2 45 LEU QD 2 48 ILE MG 1.800 . 5.000 3.713 3.291 4.384 . 0 0 "[ . 1 . 2 ]" 1
987 1 48 ILE MG 1 51 GLN HA 1.800 . 3.300 2.692 2.277 3.129 . 0 0 "[ . 1 . 2 ]" 1
988 2 48 ILE MG 2 51 GLN HA 1.800 . 3.300 2.692 2.277 3.130 . 0 0 "[ . 1 . 2 ]" 1
989 1 48 ILE MG 1 51 GLN QB 1.800 . 5.000 3.888 3.287 4.456 . 0 0 "[ . 1 . 2 ]" 1
990 2 48 ILE MG 2 51 GLN QB 1.800 . 5.000 3.888 3.287 4.457 . 0 0 "[ . 1 . 2 ]" 1
991 1 48 ILE HA 1 50 GLU H 1.800 . 5.000 4.097 3.776 4.368 . 0 0 "[ . 1 . 2 ]" 1
992 2 48 ILE HA 2 50 GLU H 1.800 . 5.000 4.097 3.776 4.368 . 0 0 "[ . 1 . 2 ]" 1
993 1 48 ILE MG 1 50 GLU H 1.800 . 3.500 3.276 2.877 3.515 0.015 16 0 "[ . 1 . 2 ]" 1
994 2 48 ILE MG 2 50 GLU H 1.800 . 3.500 3.276 2.877 3.516 0.016 16 0 "[ . 1 . 2 ]" 1
995 1 51 GLN HA 1 54 VAL HB 1.800 . 3.300 3.202 3.002 3.326 0.026 9 0 "[ . 1 . 2 ]" 1
996 2 51 GLN HA 2 54 VAL HB 1.800 . 3.300 3.201 3.001 3.325 0.025 9 0 "[ . 1 . 2 ]" 1
997 1 51 GLN H 1 53 VAL H 1.800 . 6.000 4.248 3.974 4.517 . 0 0 "[ . 1 . 2 ]" 1
998 2 51 GLN H 2 53 VAL H 1.800 . 6.000 4.248 3.973 4.517 . 0 0 "[ . 1 . 2 ]" 1
999 1 52 GLU H 1 54 VAL H 1.800 . 5.000 4.428 4.358 4.507 . 0 0 "[ . 1 . 2 ]" 1
1000 2 52 GLU H 2 54 VAL H 1.800 . 5.000 4.428 4.357 4.507 . 0 0 "[ . 1 . 2 ]" 1
1001 1 52 GLU HA 1 55 ASP QB 1.800 . 5.000 2.298 2.193 2.422 . 0 0 "[ . 1 . 2 ]" 1
1002 2 52 GLU HA 2 55 ASP QB 1.800 . 5.000 2.298 2.194 2.423 . 0 0 "[ . 1 . 2 ]" 1
1003 1 53 VAL HA 1 56 LYS QB 1.800 . 3.300 3.247 3.170 3.324 0.024 14 0 "[ . 1 . 2 ]" 1
1004 2 53 VAL HA 2 56 LYS QB 1.800 . 3.300 3.247 3.170 3.325 0.025 14 0 "[ . 1 . 2 ]" 1
1005 1 51 GLN HA 1 54 VAL H 1.800 . 4.200 3.529 3.438 3.607 . 0 0 "[ . 1 . 2 ]" 1
1006 2 51 GLN HA 2 54 VAL H 1.800 . 4.200 3.528 3.437 3.606 . 0 0 "[ . 1 . 2 ]" 1
1007 1 51 GLN HA 1 54 VAL MG2 1.800 . 5.000 3.474 3.122 3.712 . 0 0 "[ . 1 . 2 ]" 1
1008 2 51 GLN HA 2 54 VAL MG2 1.800 . 5.000 3.474 3.122 3.711 . 0 0 "[ . 1 . 2 ]" 1
1009 1 52 GLU HA 1 54 VAL H 1.800 . 6.000 4.597 4.456 4.731 . 0 0 "[ . 1 . 2 ]" 1
1010 2 52 GLU HA 2 54 VAL H 1.800 . 6.000 4.598 4.458 4.731 . 0 0 "[ . 1 . 2 ]" 1
1011 1 54 VAL HA 1 57 VAL HB 1.800 . 3.500 2.707 2.506 2.853 . 0 0 "[ . 1 . 2 ]" 1
1012 2 54 VAL HA 2 57 VAL HB 1.800 . 3.500 2.707 2.505 2.853 . 0 0 "[ . 1 . 2 ]" 1
1013 1 54 VAL H 1 57 VAL MG2 1.800 . 6.000 4.415 4.271 4.794 . 0 0 "[ . 1 . 2 ]" 1
1014 2 54 VAL H 2 57 VAL MG2 1.800 . 6.000 4.415 4.271 4.794 . 0 0 "[ . 1 . 2 ]" 1
1015 1 51 GLN HA 1 55 ASP H 1.800 . 5.000 4.184 4.080 4.512 . 0 0 "[ . 1 . 2 ]" 1
1016 2 51 GLN HA 2 55 ASP H 1.800 . 5.000 4.184 4.079 4.511 . 0 0 "[ . 1 . 2 ]" 1
1017 1 52 GLU HA 1 55 ASP H 1.800 . 3.500 3.278 3.180 3.402 . 0 0 "[ . 1 . 2 ]" 1
1018 2 52 GLU HA 2 55 ASP H 1.800 . 3.500 3.278 3.181 3.401 . 0 0 "[ . 1 . 2 ]" 1
1019 1 53 VAL H 1 55 ASP H 1.800 . 5.000 3.704 3.616 3.774 . 0 0 "[ . 1 . 2 ]" 1
1020 2 53 VAL H 2 55 ASP H 1.800 . 5.000 3.704 3.615 3.774 . 0 0 "[ . 1 . 2 ]" 1
1021 1 53 VAL HA 1 55 ASP H 1.800 . 6.000 4.242 4.178 4.308 . 0 0 "[ . 1 . 2 ]" 1
1022 2 53 VAL HA 2 55 ASP H 1.800 . 6.000 4.242 4.178 4.309 . 0 0 "[ . 1 . 2 ]" 1
1023 1 55 ASP HA 1 58 MET QB 1.800 . 3.300 3.238 3.028 3.328 0.028 9 0 "[ . 1 . 2 ]" 1
1024 2 55 ASP HA 2 58 MET QB 1.800 . 3.300 3.238 3.028 3.329 0.029 9 0 "[ . 1 . 2 ]" 1
1025 1 52 GLU HA 1 56 LYS H 1.800 . 5.000 4.118 3.934 4.245 . 0 0 "[ . 1 . 2 ]" 1
1026 2 52 GLU HA 2 56 LYS H 1.800 . 5.000 4.118 3.934 4.244 . 0 0 "[ . 1 . 2 ]" 1
1027 1 53 VAL HA 1 56 LYS H 1.800 . 3.500 3.533 3.466 3.558 0.058 9 0 "[ . 1 . 2 ]" 1
1028 2 53 VAL HA 2 56 LYS H 1.800 . 3.500 3.533 3.467 3.558 0.058 9 0 "[ . 1 . 2 ]" 1
1029 1 54 VAL H 1 56 LYS H 1.800 . 5.000 4.391 4.302 4.487 . 0 0 "[ . 1 . 2 ]" 1
1030 2 54 VAL H 2 56 LYS H 1.800 . 5.000 4.392 4.302 4.487 . 0 0 "[ . 1 . 2 ]" 1
1031 1 54 VAL HA 1 56 LYS H 1.800 . 6.000 4.401 4.244 4.579 . 0 0 "[ . 1 . 2 ]" 1
1032 2 54 VAL HA 2 56 LYS H 1.800 . 6.000 4.400 4.245 4.579 . 0 0 "[ . 1 . 2 ]" 1
1033 1 56 LYS H 1 58 MET H 1.800 . 5.000 4.620 4.568 4.668 . 0 0 "[ . 1 . 2 ]" 1
1034 2 56 LYS H 2 58 MET H 1.800 . 5.000 4.620 4.569 4.668 . 0 0 "[ . 1 . 2 ]" 1
1035 1 56 LYS HA 1 59 GLU QB 1.800 . 2.900 2.512 2.375 2.651 . 0 0 "[ . 1 . 2 ]" 1
1036 2 56 LYS HA 2 59 GLU QB 1.800 . 2.900 2.512 2.375 2.651 . 0 0 "[ . 1 . 2 ]" 1
1037 1 53 VAL HA 1 57 VAL H 1.800 . 5.000 4.645 4.552 4.795 . 0 0 "[ . 1 . 2 ]" 1
1038 2 53 VAL HA 2 57 VAL H 1.800 . 5.000 4.645 4.553 4.796 . 0 0 "[ . 1 . 2 ]" 1
1039 1 54 VAL HA 1 57 VAL H 1.800 . 3.500 3.249 3.177 3.389 . 0 0 "[ . 1 . 2 ]" 1
1040 2 54 VAL HA 2 57 VAL H 1.800 . 3.500 3.249 3.176 3.388 . 0 0 "[ . 1 . 2 ]" 1
1041 1 54 VAL HA 1 57 VAL MG2 1.800 . 3.300 2.492 2.282 2.762 . 0 0 "[ . 1 . 2 ]" 1
1042 2 54 VAL HA 2 57 VAL MG2 1.800 . 3.300 2.492 2.282 2.762 . 0 0 "[ . 1 . 2 ]" 1
1043 1 55 ASP H 1 57 VAL H 1.800 . 5.000 4.005 3.953 4.117 . 0 0 "[ . 1 . 2 ]" 1
1044 2 55 ASP H 2 57 VAL H 1.800 . 5.000 4.006 3.954 4.117 . 0 0 "[ . 1 . 2 ]" 1
1045 1 57 VAL HA 1 60 THR HB 1.800 . 5.000 3.074 2.409 4.293 . 0 0 "[ . 1 . 2 ]" 1
1046 2 57 VAL HA 2 60 THR HB 1.800 . 5.000 3.074 2.408 4.293 . 0 0 "[ . 1 . 2 ]" 1
1047 1 54 VAL HA 1 58 MET H 1.800 . 5.000 4.245 4.083 4.441 . 0 0 "[ . 1 . 2 ]" 1
1048 2 54 VAL HA 2 58 MET H 1.800 . 5.000 4.245 4.083 4.441 . 0 0 "[ . 1 . 2 ]" 1
1049 1 55 ASP HA 1 58 MET H 1.800 . 5.000 3.796 3.726 3.863 . 0 0 "[ . 1 . 2 ]" 1
1050 2 55 ASP HA 2 58 MET H 1.800 . 5.000 3.796 3.725 3.864 . 0 0 "[ . 1 . 2 ]" 1
1051 1 58 MET HA 1 61 LEU QB 1.800 . 4.200 2.961 2.769 3.145 . 0 0 "[ . 1 . 2 ]" 1
1052 2 58 MET HA 2 61 LEU QB 1.800 . 4.200 2.960 2.767 3.145 . 0 0 "[ . 1 . 2 ]" 1
1053 1 58 MET ME 1 61 LEU QD 1.800 . 6.000 4.003 2.959 4.896 . 0 0 "[ . 1 . 2 ]" 1
1054 2 58 MET ME 2 61 LEU QD 1.800 . 6.000 4.003 2.959 4.896 . 0 0 "[ . 1 . 2 ]" 1
1055 1 55 ASP HA 1 59 GLU H 1.800 . 5.000 4.710 4.574 4.897 . 0 0 "[ . 1 . 2 ]" 1
1056 2 55 ASP HA 2 59 GLU H 1.800 . 5.000 4.710 4.575 4.896 . 0 0 "[ . 1 . 2 ]" 1
1057 1 56 LYS HA 1 59 GLU H 1.800 . 3.500 3.254 3.157 3.328 . 0 0 "[ . 1 . 2 ]" 1
1058 2 56 LYS HA 2 59 GLU H 1.800 . 3.500 3.254 3.156 3.327 . 0 0 "[ . 1 . 2 ]" 1
1059 1 57 VAL HA 1 59 GLU H 1.800 . 6.000 3.981 3.926 4.053 . 0 0 "[ . 1 . 2 ]" 1
1060 2 57 VAL HA 2 59 GLU H 1.800 . 6.000 3.980 3.925 4.052 . 0 0 "[ . 1 . 2 ]" 1
1061 1 59 GLU HA 1 62 ASP QB 1.800 . 2.900 2.414 2.328 2.569 . 0 0 "[ . 1 . 2 ]" 1
1062 2 59 GLU HA 2 62 ASP QB 1.800 . 2.900 2.414 2.328 2.569 . 0 0 "[ . 1 . 2 ]" 1
1063 1 56 LYS HA 1 60 THR H 1.800 . 5.000 3.873 3.626 4.108 . 0 0 "[ . 1 . 2 ]" 1
1064 2 56 LYS HA 2 60 THR H 1.800 . 5.000 3.872 3.625 4.108 . 0 0 "[ . 1 . 2 ]" 1
1065 1 57 VAL HA 1 60 THR H 1.800 . 3.500 3.169 3.019 3.310 . 0 0 "[ . 1 . 2 ]" 1
1066 2 57 VAL HA 2 60 THR H 1.800 . 3.500 3.169 3.018 3.310 . 0 0 "[ . 1 . 2 ]" 1
1067 1 60 THR HA 1 63 GLU QB 1.800 . 4.200 2.374 2.307 2.564 . 0 0 "[ . 1 . 2 ]" 1
1068 2 60 THR HA 2 63 GLU QB 1.800 . 4.200 2.372 2.306 2.564 . 0 0 "[ . 1 . 2 ]" 1
1069 1 57 VAL HA 1 61 LEU H 1.800 . 6.000 3.672 3.378 3.913 . 0 0 "[ . 1 . 2 ]" 1
1070 2 57 VAL HA 2 61 LEU H 1.800 . 6.000 3.672 3.378 3.912 . 0 0 "[ . 1 . 2 ]" 1
1071 1 58 MET HA 1 61 LEU H 1.800 . 4.200 3.791 3.637 3.973 . 0 0 "[ . 1 . 2 ]" 1
1072 2 58 MET HA 2 61 LEU H 1.800 . 4.200 3.790 3.637 3.973 . 0 0 "[ . 1 . 2 ]" 1
1073 1 58 MET HA 1 61 LEU QD 1.800 . 5.000 3.093 2.423 3.734 . 0 0 "[ . 1 . 2 ]" 1
1074 2 58 MET HA 2 61 LEU QD 1.800 . 5.000 3.093 2.423 3.734 . 0 0 "[ . 1 . 2 ]" 1
1075 1 59 GLU HA 1 61 LEU H 1.800 . 6.000 4.515 4.302 4.634 . 0 0 "[ . 1 . 2 ]" 1
1076 2 59 GLU HA 2 61 LEU H 1.800 . 6.000 4.515 4.301 4.636 . 0 0 "[ . 1 . 2 ]" 1
1077 1 58 MET HA 1 62 ASP H 1.800 . 5.000 3.768 3.559 3.915 . 0 0 "[ . 1 . 2 ]" 1
1078 2 58 MET HA 2 62 ASP H 1.800 . 5.000 3.767 3.558 3.912 . 0 0 "[ . 1 . 2 ]" 1
1079 1 59 GLU HA 1 62 ASP H 1.800 . 3.500 3.544 3.511 3.574 0.074 20 0 "[ . 1 . 2 ]" 1
1080 2 59 GLU HA 2 62 ASP H 1.800 . 3.500 3.544 3.510 3.575 0.075 20 0 "[ . 1 . 2 ]" 1
1081 1 60 THR H 1 62 ASP H 1.800 . 6.000 4.289 4.236 4.360 . 0 0 "[ . 1 . 2 ]" 1
1082 2 60 THR H 2 62 ASP H 1.800 . 6.000 4.289 4.236 4.359 . 0 0 "[ . 1 . 2 ]" 1
1083 1 59 GLU HA 1 63 GLU H 1.800 . 5.000 4.122 3.952 4.269 . 0 0 "[ . 1 . 2 ]" 1
1084 2 59 GLU HA 2 63 GLU H 1.800 . 5.000 4.122 3.953 4.269 . 0 0 "[ . 1 . 2 ]" 1
1085 1 60 THR HA 1 63 GLU H 1.800 . 4.200 3.390 3.265 3.597 . 0 0 "[ . 1 . 2 ]" 1
1086 2 60 THR HA 2 63 GLU H 1.800 . 4.200 3.391 3.266 3.598 . 0 0 "[ . 1 . 2 ]" 1
1087 1 61 LEU H 1 63 GLU H 1.800 . 5.000 3.746 3.646 3.819 . 0 0 "[ . 1 . 2 ]" 1
1088 2 61 LEU H 2 63 GLU H 1.800 . 5.000 3.747 3.646 3.819 . 0 0 "[ . 1 . 2 ]" 1
1089 1 61 LEU HA 1 63 GLU H 1.800 . 5.000 3.737 3.614 3.864 . 0 0 "[ . 1 . 2 ]" 1
1090 2 61 LEU HA 2 63 GLU H 1.800 . 5.000 3.737 3.614 3.864 . 0 0 "[ . 1 . 2 ]" 1
1091 1 61 LEU QB 1 63 GLU H 1.800 . 6.000 4.193 4.108 4.245 . 0 0 "[ . 1 . 2 ]" 1
1092 2 61 LEU QB 2 63 GLU H 1.800 . 6.000 4.193 4.108 4.244 . 0 0 "[ . 1 . 2 ]" 1
1093 1 61 LEU HA 1 64 ASP H 1.800 . 5.000 4.250 4.158 4.384 . 0 0 "[ . 1 . 2 ]" 1
1094 2 61 LEU HA 2 64 ASP H 1.800 . 5.000 4.251 4.158 4.384 . 0 0 "[ . 1 . 2 ]" 1
1095 1 63 GLU HA 1 65 GLY H 1.800 . 5.000 3.228 3.124 3.386 . 0 0 "[ . 1 . 2 ]" 1
1096 2 63 GLU HA 2 65 GLY H 1.800 . 5.000 3.244 3.140 3.409 . 0 0 "[ . 1 . 2 ]" 1
1097 1 63 GLU QB 1 65 GLY H 1.800 . 6.000 4.099 3.955 4.260 . 0 0 "[ . 1 . 2 ]" 1
1098 2 63 GLU QB 2 65 GLY H 1.800 . 6.000 4.099 3.955 4.262 . 0 0 "[ . 1 . 2 ]" 1
1099 1 64 ASP H 1 66 ASP H 1.800 . 6.000 4.878 4.835 4.941 . 0 0 "[ . 1 . 2 ]" 1
1100 2 64 ASP H 2 66 ASP H 1.800 . 6.000 4.878 4.834 4.942 . 0 0 "[ . 1 . 2 ]" 1
1101 1 64 ASP HA 1 66 ASP H 1.800 . 5.000 3.587 3.529 3.635 . 0 0 "[ . 1 . 2 ]" 1
1102 2 64 ASP HA 2 66 ASP H 1.800 . 5.000 3.593 3.537 3.637 . 0 0 "[ . 1 . 2 ]" 1
1103 1 64 ASP QB 1 66 ASP H 1.800 . 6.000 2.949 2.601 3.166 . 0 0 "[ . 1 . 2 ]" 1
1104 2 64 ASP QB 2 66 ASP H 1.800 . 6.000 2.951 2.604 3.166 . 0 0 "[ . 1 . 2 ]" 1
1105 1 64 ASP HA 1 67 GLY H 1.800 . 6.000 4.984 4.822 5.196 . 0 0 "[ . 1 . 2 ]" 1
1106 2 64 ASP HA 2 67 GLY H 1.800 . 6.000 5.001 4.837 5.209 . 0 0 "[ . 1 . 2 ]" 1
1107 1 65 GLY H 1 67 GLY H 1.800 . 5.000 4.270 3.973 4.437 . 0 0 "[ . 1 . 2 ]" 1
1108 2 65 GLY H 2 67 GLY H 1.800 . 5.000 4.270 3.972 4.437 . 0 0 "[ . 1 . 2 ]" 1
1109 1 66 ASP H 1 68 GLU H 1.800 . 5.000 4.221 4.134 4.287 . 0 0 "[ . 1 . 2 ]" 1
1110 2 66 ASP H 2 68 GLU H 1.800 . 5.000 4.222 4.135 4.287 . 0 0 "[ . 1 . 2 ]" 1
1111 1 70 ASP H 1 72 GLN H 1.800 . 5.000 4.872 4.668 5.005 0.005 4 0 "[ . 1 . 2 ]" 1
1112 2 70 ASP H 2 72 GLN H 1.800 . 5.000 4.872 4.668 5.005 0.005 4 0 "[ . 1 . 2 ]" 1
1113 1 70 ASP H 1 73 GLU H 1.800 . 4.600 3.705 3.579 3.786 . 0 0 "[ . 1 . 2 ]" 1
1114 2 70 ASP H 2 73 GLU H 1.800 . 4.600 3.705 3.579 3.786 . 0 0 "[ . 1 . 2 ]" 1
1115 1 70 ASP H 1 73 GLU HA 1.800 . 6.000 5.565 5.405 5.689 . 0 0 "[ . 1 . 2 ]" 1
1116 2 70 ASP H 2 73 GLU HA 1.800 . 6.000 5.565 5.406 5.689 . 0 0 "[ . 1 . 2 ]" 1
1117 1 70 ASP H 1 73 GLU QB 1.800 . 4.200 3.012 2.636 3.245 . 0 0 "[ . 1 . 2 ]" 1
1118 2 70 ASP H 2 73 GLU QB 1.800 . 4.200 3.011 2.635 3.244 . 0 0 "[ . 1 . 2 ]" 1
1119 1 70 ASP H 1 73 GLU QG 1.800 . 5.000 2.965 2.421 3.771 . 0 0 "[ . 1 . 2 ]" 1
1120 2 70 ASP H 2 73 GLU QG 1.800 . 5.000 2.964 2.420 3.770 . 0 0 "[ . 1 . 2 ]" 1
1121 1 71 PHE HA 1 74 PHE QB 1.800 . 5.000 2.357 2.258 2.654 . 0 0 "[ . 1 . 2 ]" 1
1122 2 71 PHE HA 2 74 PHE QB 1.800 . 5.000 2.357 2.258 2.654 . 0 0 "[ . 1 . 2 ]" 1
1123 1 71 PHE HA 1 74 PHE H 1.800 . 3.500 3.061 2.959 3.163 . 0 0 "[ . 1 . 2 ]" 1
1124 2 71 PHE HA 2 74 PHE H 1.800 . 3.500 3.061 2.960 3.164 . 0 0 "[ . 1 . 2 ]" 1
1125 1 70 ASP QB 1 72 GLN H 1.800 . 5.000 2.669 2.535 2.823 . 0 0 "[ . 1 . 2 ]" 1
1126 2 70 ASP QB 2 72 GLN H 1.800 . 5.000 2.669 2.534 2.822 . 0 0 "[ . 1 . 2 ]" 1
1127 1 72 GLN H 1 74 PHE H 1.800 . 5.000 3.944 3.818 4.033 . 0 0 "[ . 1 . 2 ]" 1
1128 2 72 GLN H 2 74 PHE H 1.800 . 5.000 3.944 3.818 4.033 . 0 0 "[ . 1 . 2 ]" 1
1129 1 72 GLN HA 1 75 MET QB 1.800 . 4.200 3.216 3.006 3.559 . 0 0 "[ . 1 . 2 ]" 1
1130 2 72 GLN HA 2 75 MET QB 1.800 . 4.200 3.216 3.006 3.558 . 0 0 "[ . 1 . 2 ]" 1
1131 1 69 CYS HA 1 73 GLU H 1.800 . 6.000 5.316 5.161 5.439 . 0 0 "[ . 1 . 2 ]" 1
1132 2 69 CYS HA 2 73 GLU H 1.800 . 6.000 5.315 5.161 5.439 . 0 0 "[ . 1 . 2 ]" 1
1133 1 69 CYS QB 1 73 GLU H 1.800 . 6.000 4.836 4.521 5.883 . 0 0 "[ . 1 . 2 ]" 1
1134 2 69 CYS QB 2 73 GLU H 1.800 . 6.000 4.836 4.521 5.883 . 0 0 "[ . 1 . 2 ]" 1
1135 1 70 ASP QB 1 73 GLU H 1.800 . 6.000 3.117 2.822 4.016 . 0 0 "[ . 1 . 2 ]" 1
1136 2 70 ASP QB 2 73 GLU H 1.800 . 6.000 3.117 2.822 4.016 . 0 0 "[ . 1 . 2 ]" 1
1137 1 71 PHE HA 1 73 GLU H 1.800 . 6.000 4.088 3.958 4.307 . 0 0 "[ . 1 . 2 ]" 1
1138 2 71 PHE HA 2 73 GLU H 1.800 . 6.000 4.089 3.958 4.308 . 0 0 "[ . 1 . 2 ]" 1
1139 1 73 GLU H 1 75 MET H 1.800 . 6.000 4.275 4.166 4.357 . 0 0 "[ . 1 . 2 ]" 1
1140 2 73 GLU H 2 75 MET H 1.800 . 6.000 4.275 4.166 4.357 . 0 0 "[ . 1 . 2 ]" 1
1141 1 72 GLN HA 1 74 PHE H 1.800 . 4.200 4.033 3.961 4.109 . 0 0 "[ . 1 . 2 ]" 1
1142 2 72 GLN HA 2 74 PHE H 1.800 . 4.200 4.033 3.961 4.109 . 0 0 "[ . 1 . 2 ]" 1
1143 1 74 PHE HA 1 77 PHE QB 1.800 . 5.000 2.899 2.672 3.121 . 0 0 "[ . 1 . 2 ]" 1
1144 2 74 PHE HA 2 77 PHE QB 1.800 . 5.000 2.899 2.673 3.120 . 0 0 "[ . 1 . 2 ]" 1
1145 1 71 PHE HA 1 75 MET H 1.800 . 5.000 4.267 4.112 4.565 . 0 0 "[ . 1 . 2 ]" 1
1146 2 71 PHE HA 2 75 MET H 1.800 . 5.000 4.267 4.112 4.566 . 0 0 "[ . 1 . 2 ]" 1
1147 1 72 GLN HA 1 75 MET H 1.800 . 3.500 3.445 3.301 3.521 0.021 19 0 "[ . 1 . 2 ]" 1
1148 2 72 GLN HA 2 75 MET H 1.800 . 3.500 3.445 3.301 3.521 0.021 19 0 "[ . 1 . 2 ]" 1
1149 1 73 GLU HA 1 75 MET H 1.800 . 5.000 4.430 4.338 4.525 . 0 0 "[ . 1 . 2 ]" 1
1150 2 73 GLU HA 2 75 MET H 1.800 . 5.000 4.430 4.336 4.522 . 0 0 "[ . 1 . 2 ]" 1
1151 1 75 MET H 1 77 PHE H 1.800 . 6.000 4.391 4.149 4.641 . 0 0 "[ . 1 . 2 ]" 1
1152 2 75 MET H 2 77 PHE H 1.800 . 6.000 4.390 4.150 4.639 . 0 0 "[ . 1 . 2 ]" 1
1153 1 75 MET HA 1 78 VAL HB 1.800 . 4.200 2.503 2.344 2.752 . 0 0 "[ . 1 . 2 ]" 1
1154 2 75 MET HA 2 78 VAL HB 1.800 . 4.200 2.504 2.345 2.753 . 0 0 "[ . 1 . 2 ]" 1
1155 1 75 MET ME 1 78 VAL MG1 1.800 . 3.300 2.642 2.131 3.327 0.027 15 0 "[ . 1 . 2 ]" 1
1156 2 75 MET ME 2 78 VAL MG1 1.800 . 3.300 2.642 2.131 3.327 0.027 15 0 "[ . 1 . 2 ]" 1
1157 1 75 MET ME 1 78 VAL MG2 1.800 . 5.000 3.413 2.715 4.332 . 0 0 "[ . 1 . 2 ]" 1
1158 2 75 MET ME 2 78 VAL MG2 1.800 . 5.000 3.413 2.715 4.331 . 0 0 "[ . 1 . 2 ]" 1
1159 1 72 GLN HA 1 76 ALA H 1.800 . 5.000 4.296 4.093 4.578 . 0 0 "[ . 1 . 2 ]" 1
1160 2 72 GLN HA 2 76 ALA H 1.800 . 5.000 4.296 4.094 4.579 . 0 0 "[ . 1 . 2 ]" 1
1161 1 73 GLU HA 1 76 ALA H 1.800 . 4.200 3.569 3.328 3.829 . 0 0 "[ . 1 . 2 ]" 1
1162 2 73 GLU HA 2 76 ALA H 1.800 . 4.200 3.568 3.328 3.829 . 0 0 "[ . 1 . 2 ]" 1
1163 1 73 GLU HA 1 76 ALA MB 1.800 . 2.900 2.761 2.550 2.917 0.017 17 0 "[ . 1 . 2 ]" 1
1164 2 73 GLU HA 2 76 ALA MB 1.800 . 2.900 2.761 2.550 2.916 0.016 17 0 "[ . 1 . 2 ]" 1
1165 1 74 PHE H 1 76 ALA H 1.800 . 6.000 4.166 3.816 4.428 . 0 0 "[ . 1 . 2 ]" 1
1166 2 74 PHE H 2 76 ALA H 1.800 . 6.000 4.166 3.815 4.428 . 0 0 "[ . 1 . 2 ]" 1
1167 1 76 ALA H 1 78 VAL H 1.800 . 6.000 4.071 3.810 4.304 . 0 0 "[ . 1 . 2 ]" 1
1168 2 76 ALA H 2 78 VAL H 1.800 . 6.000 4.071 3.811 4.305 . 0 0 "[ . 1 . 2 ]" 1
1169 1 76 ALA HA 1 79 SER QB 1.800 . 3.300 3.027 2.787 3.308 0.008 12 0 "[ . 1 . 2 ]" 1
1170 2 76 ALA HA 2 79 SER QB 1.800 . 3.300 3.027 2.786 3.308 0.008 12 0 "[ . 1 . 2 ]" 1
1171 1 73 GLU HA 1 77 PHE H 1.800 . 5.000 3.801 3.530 4.270 . 0 0 "[ . 1 . 2 ]" 1
1172 2 73 GLU HA 2 77 PHE H 1.800 . 5.000 3.801 3.530 4.269 . 0 0 "[ . 1 . 2 ]" 1
1173 1 74 PHE HA 1 77 PHE H 1.800 . 5.000 3.651 3.254 3.927 . 0 0 "[ . 1 . 2 ]" 1
1174 2 74 PHE HA 2 77 PHE H 1.800 . 5.000 3.652 3.255 3.928 . 0 0 "[ . 1 . 2 ]" 1
1175 1 77 PHE HA 1 80 MET QB 1.800 . 4.200 2.917 2.725 3.333 . 0 0 "[ . 1 . 2 ]" 1
1176 2 77 PHE HA 2 80 MET QB 1.800 . 4.200 2.916 2.724 3.333 . 0 0 "[ . 1 . 2 ]" 1
1177 1 73 GLU HA 1 77 PHE QB 1.800 . 6.000 4.847 4.497 5.687 . 0 0 "[ . 1 . 2 ]" 1
1178 2 73 GLU HA 2 77 PHE QB 1.800 . 6.000 4.847 4.496 5.686 . 0 0 "[ . 1 . 2 ]" 1
1179 1 74 PHE HA 1 78 VAL H 1.800 . 6.000 3.755 3.586 4.097 . 0 0 "[ . 1 . 2 ]" 1
1180 2 74 PHE HA 2 78 VAL H 1.800 . 6.000 3.755 3.586 4.096 . 0 0 "[ . 1 . 2 ]" 1
1181 1 74 PHE QD 1 78 VAL MG2 1.800 . 6.000 2.862 2.639 3.172 . 0 0 "[ . 1 . 2 ]" 1
1182 2 74 PHE QD 2 78 VAL MG2 1.800 . 6.000 2.862 2.639 3.172 . 0 0 "[ . 1 . 2 ]" 1
1183 1 74 PHE QE 1 78 VAL H 1.800 . 6.000 5.335 4.738 5.709 . 0 0 "[ . 1 . 2 ]" 1
1184 2 74 PHE QE 2 78 VAL H 1.800 . 6.000 5.335 4.737 5.709 . 0 0 "[ . 1 . 2 ]" 1
1185 1 74 PHE QE 1 78 VAL MG2 1.800 . 6.000 2.525 2.158 2.826 . 0 0 "[ . 1 . 2 ]" 1
1186 2 74 PHE QE 2 78 VAL MG2 1.800 . 6.000 2.525 2.157 2.826 . 0 0 "[ . 1 . 2 ]" 1
1187 1 74 PHE HZ 1 78 VAL MG2 1.800 . 6.000 2.834 2.650 3.101 . 0 0 "[ . 1 . 2 ]" 1
1188 2 74 PHE HZ 2 78 VAL MG2 1.800 . 6.000 2.834 2.650 3.100 . 0 0 "[ . 1 . 2 ]" 1
1189 1 75 MET HA 1 78 VAL H 1.800 . 4.200 3.552 3.194 3.891 . 0 0 "[ . 1 . 2 ]" 1
1190 2 75 MET HA 2 78 VAL H 1.800 . 4.200 3.553 3.196 3.893 . 0 0 "[ . 1 . 2 ]" 1
1191 1 75 MET HA 1 78 VAL MG1 1.800 . 6.000 3.766 3.548 3.914 . 0 0 "[ . 1 . 2 ]" 1
1192 2 75 MET HA 2 78 VAL MG1 1.800 . 6.000 3.766 3.548 3.914 . 0 0 "[ . 1 . 2 ]" 1
1193 1 75 MET HA 1 78 VAL MG2 1.800 . 5.000 3.202 2.803 3.467 . 0 0 "[ . 1 . 2 ]" 1
1194 2 75 MET HA 2 78 VAL MG2 1.800 . 5.000 3.202 2.803 3.467 . 0 0 "[ . 1 . 2 ]" 1
1195 1 78 VAL HA 1 81 VAL HB 1.800 . 4.200 3.219 3.025 3.411 . 0 0 "[ . 1 . 2 ]" 1
1196 2 78 VAL HA 2 81 VAL HB 1.800 . 4.200 3.220 3.026 3.411 . 0 0 "[ . 1 . 2 ]" 1
1197 1 75 MET HA 1 79 SER H 1.800 . 5.000 4.196 3.897 4.453 . 0 0 "[ . 1 . 2 ]" 1
1198 2 75 MET HA 2 79 SER H 1.800 . 5.000 4.197 3.897 4.454 . 0 0 "[ . 1 . 2 ]" 1
1199 1 75 MET ME 1 79 SER H 1.800 . 5.000 4.202 3.376 4.984 . 0 0 "[ . 1 . 2 ]" 1
1200 1 75 MET ME 2 79 SER H 1.800 . 5.000 4.201 3.376 4.977 . 0 0 "[ . 1 . 2 ]" 1
1201 1 76 ALA HA 1 79 SER H 1.800 . 4.200 3.433 3.273 3.659 . 0 0 "[ . 1 . 2 ]" 1
1202 2 76 ALA HA 2 79 SER H 1.800 . 4.200 3.433 3.274 3.659 . 0 0 "[ . 1 . 2 ]" 1
1203 1 77 PHE H 1 79 SER H 1.800 . 5.000 4.135 4.012 4.220 . 0 0 "[ . 1 . 2 ]" 1
1204 2 77 PHE H 2 79 SER H 1.800 . 5.000 4.135 4.013 4.219 . 0 0 "[ . 1 . 2 ]" 1
1205 1 76 ALA HA 1 80 MET H 1.800 . 5.000 4.225 3.943 4.408 . 0 0 "[ . 1 . 2 ]" 1
1206 2 76 ALA HA 2 80 MET H 1.800 . 5.000 4.224 3.942 4.407 . 0 0 "[ . 1 . 2 ]" 1
1207 1 77 PHE HA 1 80 MET H 1.800 . 5.000 3.477 3.356 3.624 . 0 0 "[ . 1 . 2 ]" 1
1208 2 77 PHE HA 2 80 MET H 1.800 . 5.000 3.476 3.355 3.623 . 0 0 "[ . 1 . 2 ]" 1
1209 1 77 PHE HA 1 80 MET ME 1.800 . 5.000 4.160 2.463 5.034 0.034 7 0 "[ . 1 . 2 ]" 1
1210 2 77 PHE HA 2 80 MET ME 1.800 . 5.000 4.160 2.463 5.034 0.034 7 0 "[ . 1 . 2 ]" 1
1211 1 78 VAL H 1 80 MET H 1.800 . 5.000 4.448 4.357 4.523 . 0 0 "[ . 1 . 2 ]" 1
1212 2 78 VAL H 2 80 MET H 1.800 . 5.000 4.448 4.357 4.523 . 0 0 "[ . 1 . 2 ]" 1
1213 1 78 VAL HA 1 80 MET H 1.800 . 5.000 4.819 4.587 5.013 0.013 19 0 "[ . 1 . 2 ]" 1
1214 2 78 VAL HA 2 80 MET H 1.800 . 5.000 4.820 4.587 5.014 0.014 19 0 "[ . 1 . 2 ]" 1
1215 1 80 MET HA 1 83 THR HB 1.800 . 6.000 3.965 2.367 4.446 . 0 0 "[ . 1 . 2 ]" 1
1216 2 80 MET HA 2 83 THR HB 1.800 . 6.000 3.964 2.367 4.446 . 0 0 "[ . 1 . 2 ]" 1
1217 1 77 PHE HA 1 81 VAL H 1.800 . 5.000 4.288 3.847 4.491 . 0 0 "[ . 1 . 2 ]" 1
1218 2 77 PHE HA 2 81 VAL H 1.800 . 5.000 4.287 3.847 4.490 . 0 0 "[ . 1 . 2 ]" 1
1219 1 78 VAL HA 1 81 VAL H 1.800 . 5.000 3.789 3.603 4.013 . 0 0 "[ . 1 . 2 ]" 1
1220 2 78 VAL HA 2 81 VAL H 1.800 . 5.000 3.789 3.603 4.014 . 0 0 "[ . 1 . 2 ]" 1
1221 1 79 SER H 1 81 VAL H 1.800 . 5.000 4.208 4.086 4.502 . 0 0 "[ . 1 . 2 ]" 1
1222 2 79 SER H 2 81 VAL H 1.800 . 5.000 4.208 4.086 4.501 . 0 0 "[ . 1 . 2 ]" 1
1223 1 79 SER HA 1 81 VAL H 1.800 . 6.000 4.408 4.197 4.794 . 0 0 "[ . 1 . 2 ]" 1
1224 2 79 SER HA 2 81 VAL H 1.800 . 6.000 4.408 4.198 4.793 . 0 0 "[ . 1 . 2 ]" 1
1225 1 81 VAL HA 1 84 ALA MB 1.800 . 3.300 2.476 2.234 3.245 . 0 0 "[ . 1 . 2 ]" 1
1226 2 81 VAL HA 2 84 ALA MB 1.800 . 3.300 2.476 2.234 3.245 . 0 0 "[ . 1 . 2 ]" 1
1227 1 81 VAL MG2 1 84 ALA MB 1.800 . 6.000 3.983 3.702 4.549 . 0 0 "[ . 1 . 2 ]" 1
1228 2 81 VAL MG2 2 84 ALA MB 1.800 . 6.000 3.983 3.702 4.549 . 0 0 "[ . 1 . 2 ]" 1
1229 1 78 VAL HA 1 82 THR H 1.800 . 5.000 4.183 3.941 4.412 . 0 0 "[ . 1 . 2 ]" 1
1230 2 78 VAL HA 2 82 THR H 1.800 . 5.000 4.183 3.941 4.413 . 0 0 "[ . 1 . 2 ]" 1
1231 1 79 SER HA 1 82 THR H 1.800 . 4.200 3.499 3.333 3.704 . 0 0 "[ . 1 . 2 ]" 1
1232 2 79 SER HA 2 82 THR H 1.800 . 4.200 3.498 3.333 3.704 . 0 0 "[ . 1 . 2 ]" 1
1233 1 79 SER HA 1 83 THR H 1.800 . 5.000 3.565 3.186 3.903 . 0 0 "[ . 1 . 2 ]" 1
1234 2 79 SER HA 2 83 THR H 1.800 . 5.000 3.565 3.187 3.902 . 0 0 "[ . 1 . 2 ]" 1
1235 1 80 MET HA 1 83 THR H 1.800 . 5.000 3.691 3.397 3.901 . 0 0 "[ . 1 . 2 ]" 1
1236 2 80 MET HA 2 83 THR H 1.800 . 5.000 3.691 3.397 3.902 . 0 0 "[ . 1 . 2 ]" 1
1237 1 81 VAL H 1 83 THR H 1.800 . 5.000 4.040 3.733 4.431 . 0 0 "[ . 1 . 2 ]" 1
1238 2 81 VAL H 2 83 THR H 1.800 . 5.000 4.040 3.733 4.431 . 0 0 "[ . 1 . 2 ]" 1
1239 1 81 VAL HA 1 83 THR H 1.800 . 6.000 4.559 4.365 4.770 . 0 0 "[ . 1 . 2 ]" 1
1240 2 81 VAL HA 2 83 THR H 1.800 . 6.000 4.559 4.365 4.772 . 0 0 "[ . 1 . 2 ]" 1
1241 1 80 MET HA 1 84 ALA H 1.800 . 5.000 3.993 3.774 4.367 . 0 0 "[ . 1 . 2 ]" 1
1242 2 80 MET HA 2 84 ALA H 1.800 . 5.000 3.992 3.775 4.368 . 0 0 "[ . 1 . 2 ]" 1
1243 1 81 VAL HA 1 84 ALA H 1.800 . 4.200 3.397 3.159 3.860 . 0 0 "[ . 1 . 2 ]" 1
1244 2 81 VAL HA 2 84 ALA H 1.800 . 4.200 3.397 3.160 3.861 . 0 0 "[ . 1 . 2 ]" 1
1245 1 82 THR H 1 84 ALA H 1.800 . 5.000 3.855 3.626 4.441 . 0 0 "[ . 1 . 2 ]" 1
1246 2 82 THR H 2 84 ALA H 1.800 . 5.000 3.855 3.627 4.440 . 0 0 "[ . 1 . 2 ]" 1
1247 1 82 THR HA 1 84 ALA H 1.800 . 6.000 4.076 3.859 4.680 . 0 0 "[ . 1 . 2 ]" 1
1248 2 82 THR HA 2 84 ALA H 1.800 . 6.000 4.076 3.861 4.680 . 0 0 "[ . 1 . 2 ]" 1
1249 1 82 THR HA 1 85 CYS H 1.800 . 5.000 3.950 3.415 4.228 . 0 0 "[ . 1 . 2 ]" 1
1250 2 82 THR HA 2 85 CYS H 1.800 . 5.000 3.951 3.414 4.229 . 0 0 "[ . 1 . 2 ]" 1
1251 1 81 VAL HA 1 85 CYS H 1.800 . 5.000 5.035 4.802 5.088 0.088 3 0 "[ . 1 . 2 ]" 1
1252 2 81 VAL HA 2 85 CYS H 1.800 . 5.000 5.035 4.802 5.088 0.088 3 0 "[ . 1 . 2 ]" 1
1253 1 83 THR H 1 85 CYS H 1.800 . 5.000 4.344 3.949 4.603 . 0 0 "[ . 1 . 2 ]" 1
1254 2 83 THR H 2 85 CYS H 1.800 . 5.000 4.344 3.948 4.602 . 0 0 "[ . 1 . 2 ]" 1
1255 1 88 PHE QD 1 90 GLU H 1.800 . 6.000 5.092 3.663 5.789 . 0 0 "[ . 1 . 2 ]" 1
1256 2 88 PHE QD 2 90 GLU H 1.800 . 6.000 5.092 3.663 5.790 . 0 0 "[ . 1 . 2 ]" 1
1257 1 89 PHE QD 1 91 HIS H 1.800 . 6.000 5.957 5.567 6.038 0.038 11 0 "[ . 1 . 2 ]" 1
1258 2 89 PHE QD 2 91 HIS H 1.800 . 6.000 5.957 5.567 6.037 0.037 11 0 "[ . 1 . 2 ]" 1
1259 1 8 MET ME 1 71 PHE QE 1.800 . 5.000 4.866 4.335 5.057 0.057 8 0 "[ . 1 . 2 ]" 1
1260 2 8 MET ME 2 71 PHE QE 1.800 . 5.000 4.866 4.335 5.058 0.058 8 0 "[ . 1 . 2 ]" 1
1261 1 11 LEU QD 1 74 PHE QE 1.800 . 6.000 3.708 2.699 5.001 . 0 0 "[ . 1 . 2 ]" 1
1262 2 11 LEU QD 2 74 PHE QE 1.800 . 6.000 3.708 2.699 5.001 . 0 0 "[ . 1 . 2 ]" 1
1263 1 11 LEU QD 1 74 PHE HZ 1.800 . 6.000 4.482 2.916 5.835 . 0 0 "[ . 1 . 2 ]" 1
1264 2 11 LEU QD 2 74 PHE HZ 1.800 . 6.000 4.482 2.916 5.835 . 0 0 "[ . 1 . 2 ]" 1
1265 1 11 LEU QD 1 78 VAL MG1 1.800 . 4.200 4.123 3.869 4.277 0.077 8 0 "[ . 1 . 2 ]" 1
1266 2 11 LEU QD 2 78 VAL MG1 1.800 . 4.200 4.123 3.869 4.277 0.077 8 0 "[ . 1 . 2 ]" 1
1267 1 11 LEU QD 1 78 VAL MG2 1.800 . 5.000 4.775 4.471 5.013 0.013 1 0 "[ . 1 . 2 ]" 1
1268 2 11 LEU QD 2 78 VAL MG2 1.800 . 5.000 4.775 4.471 5.013 0.013 1 0 "[ . 1 . 2 ]" 1
1269 1 14 VAL QG 1 36 LEU QD 1.800 . 3.300 3.267 3.037 3.351 0.051 4 0 "[ . 1 . 2 ]" 1
1270 2 14 VAL QG 2 36 LEU QD 1.800 . 3.300 3.266 3.037 3.352 0.052 4 0 "[ . 1 . 2 ]" 1
1271 1 14 VAL MG1 1 74 PHE HZ 1.800 . 6.000 5.554 5.188 5.906 . 0 0 "[ . 1 . 2 ]" 1
1272 2 14 VAL MG1 2 74 PHE HZ 1.800 . 6.000 5.554 5.187 5.907 . 0 0 "[ . 1 . 2 ]" 1
1273 1 15 PHE QD 1 36 LEU QD 1.800 . 5.000 3.758 3.231 4.874 . 0 0 "[ . 1 . 2 ]" 1
1274 2 15 PHE QD 2 36 LEU QD 1.800 . 5.000 3.758 3.230 4.874 . 0 0 "[ . 1 . 2 ]" 1
1275 1 15 PHE H 1 36 LEU QD 1.800 . 6.000 5.381 5.083 5.740 . 0 0 "[ . 1 . 2 ]" 1
1276 2 15 PHE H 2 36 LEU QD 1.800 . 6.000 5.381 5.083 5.740 . 0 0 "[ . 1 . 2 ]" 1
1277 1 15 PHE HA 1 36 LEU QD 1.800 . 5.000 3.674 3.337 4.071 . 0 0 "[ . 1 . 2 ]" 1
1278 2 15 PHE HA 2 36 LEU QD 1.800 . 5.000 3.674 3.336 4.071 . 0 0 "[ . 1 . 2 ]" 1
1279 1 15 PHE QD 1 71 PHE QB 1.800 . 6.000 5.054 4.801 5.467 . 0 0 "[ . 1 . 2 ]" 1
1280 2 15 PHE QD 2 71 PHE QB 1.800 . 6.000 5.054 4.801 5.467 . 0 0 "[ . 1 . 2 ]" 1
1281 1 15 PHE QD 1 71 PHE QD 1.800 . 5.000 3.455 3.226 3.898 . 0 0 "[ . 1 . 2 ]" 1
1282 2 15 PHE QD 2 71 PHE QD 1.800 . 5.000 3.455 3.227 3.898 . 0 0 "[ . 1 . 2 ]" 1
1283 1 18 TYR H 1 36 LEU QD 1.800 . 5.000 4.488 4.214 4.787 . 0 0 "[ . 1 . 2 ]" 1
1284 2 18 TYR H 2 36 LEU QD 1.800 . 5.000 4.488 4.214 4.787 . 0 0 "[ . 1 . 2 ]" 1
1285 1 18 TYR QB 1 28 LEU QD 1.800 . 4.200 3.865 3.667 4.002 . 0 0 "[ . 1 . 2 ]" 1
1286 2 18 TYR QB 2 28 LEU QD 1.800 . 4.200 3.865 3.667 4.002 . 0 0 "[ . 1 . 2 ]" 1
1287 1 18 TYR QB 1 36 LEU QD 1.800 . 5.000 2.988 2.664 3.425 . 0 0 "[ . 1 . 2 ]" 1
1288 2 18 TYR QB 2 36 LEU QD 1.800 . 5.000 2.988 2.664 3.424 . 0 0 "[ . 1 . 2 ]" 1
1289 1 19 SER H 1 28 LEU QD 1.800 . 5.000 4.937 4.714 5.029 0.029 4 0 "[ . 1 . 2 ]" 1
1290 2 19 SER H 2 28 LEU QD 1.800 . 5.000 4.937 4.714 5.028 0.028 4 0 "[ . 1 . 2 ]" 1
1291 1 15 PHE HZ 1 27 LYS H 1.800 . 6.000 5.982 5.881 6.034 0.034 6 0 "[ . 1 . 2 ]" 1
1292 2 15 PHE HZ 2 27 LYS H 1.800 . 6.000 5.982 5.881 6.035 0.035 6 0 "[ . 1 . 2 ]" 1
1293 1 15 PHE QE 1 27 LYS H 1.800 . 6.000 5.994 5.854 6.050 0.050 15 0 "[ . 1 . 2 ]" 1
1294 2 15 PHE QE 2 27 LYS H 1.800 . 6.000 5.995 5.855 6.051 0.051 15 0 "[ . 1 . 2 ]" 1
1295 1 19 SER QB 1 27 LYS H 1.800 . 6.000 5.923 5.726 6.042 0.042 12 0 "[ . 1 . 2 ]" 1
1296 2 19 SER QB 2 27 LYS H 1.800 . 6.000 5.923 5.726 6.042 0.042 12 0 "[ . 1 . 2 ]" 1
1297 1 27 LYS HA 1 70 ASP HA 1.800 . 3.000 2.651 2.352 2.980 . 0 0 "[ . 1 . 2 ]" 1
1298 2 27 LYS HA 2 70 ASP HA 1.800 . 3.000 2.651 2.351 2.979 . 0 0 "[ . 1 . 2 ]" 1
1299 1 15 PHE HZ 1 28 LEU H 1.800 . 5.000 4.935 4.702 5.074 0.074 20 0 "[ . 1 . 2 ]" 1
1300 2 15 PHE HZ 2 28 LEU H 1.800 . 5.000 4.934 4.702 5.074 0.074 20 0 "[ . 1 . 2 ]" 1
1301 1 18 TYR QD 1 28 LEU QD 1.800 . 5.000 4.873 4.706 5.044 0.044 9 0 "[ . 1 . 2 ]" 1
1302 2 18 TYR QD 2 28 LEU QD 1.800 . 5.000 4.873 4.707 5.044 0.044 9 0 "[ . 1 . 2 ]" 1
1303 1 19 SER HA 1 28 LEU QD 1.800 . 5.000 4.942 4.747 5.068 0.068 19 0 "[ . 1 . 2 ]" 1
1304 2 19 SER HA 2 28 LEU QD 1.800 . 5.000 4.942 4.747 5.068 0.068 19 0 "[ . 1 . 2 ]" 1
1305 1 28 LEU H 1 68 GLU HA 1.800 . 6.000 5.015 4.891 5.132 . 0 0 "[ . 1 . 2 ]" 1
1306 2 28 LEU H 2 68 GLU HA 1.800 . 6.000 5.015 4.890 5.132 . 0 0 "[ . 1 . 2 ]" 1
1307 1 28 LEU H 1 69 CYS H 1.800 . 3.500 3.504 3.422 3.528 0.028 4 0 "[ . 1 . 2 ]" 1
1308 2 28 LEU H 2 69 CYS H 1.800 . 3.500 3.504 3.423 3.528 0.028 4 0 "[ . 1 . 2 ]" 1
1309 1 28 LEU HA 1 69 CYS H 1.800 . 5.000 4.784 4.669 4.916 . 0 0 "[ . 1 . 2 ]" 1
1310 2 28 LEU HA 2 69 CYS H 1.800 . 5.000 4.784 4.670 4.915 . 0 0 "[ . 1 . 2 ]" 1
1311 1 28 LEU H 1 69 CYS HA 1.800 . 5.000 4.792 4.683 4.930 . 0 0 "[ . 1 . 2 ]" 1
1312 2 28 LEU H 2 69 CYS HA 1.800 . 5.000 4.792 4.682 4.930 . 0 0 "[ . 1 . 2 ]" 1
1313 1 28 LEU QD 1 69 CYS QB 1.800 . 6.000 3.866 3.560 4.336 . 0 0 "[ . 1 . 2 ]" 1
1314 2 28 LEU QD 2 69 CYS QB 1.800 . 6.000 3.866 3.560 4.336 . 0 0 "[ . 1 . 2 ]" 1
1315 1 28 LEU H 1 70 ASP HA 1.800 . 3.000 2.953 2.736 3.052 0.052 19 0 "[ . 1 . 2 ]" 1
1316 2 28 LEU H 2 70 ASP HA 1.800 . 3.000 2.953 2.735 3.052 0.052 19 0 "[ . 1 . 2 ]" 1
1317 1 29 LYS HA 1 68 GLU HA 1.800 . 3.200 2.917 2.779 3.011 . 0 0 "[ . 1 . 2 ]" 1
1318 2 29 LYS HA 2 68 GLU HA 1.800 . 3.200 2.917 2.779 3.011 . 0 0 "[ . 1 . 2 ]" 1
1319 1 30 LYS H 1 61 LEU QD 1.800 . 6.000 5.181 4.068 5.934 . 0 0 "[ . 1 . 2 ]" 1
1320 2 30 LYS H 2 61 LEU QD 1.800 . 6.000 5.181 4.068 5.934 . 0 0 "[ . 1 . 2 ]" 1
1321 1 30 LYS HA 1 61 LEU QD 1.800 . 6.000 3.203 2.244 3.858 . 0 0 "[ . 1 . 2 ]" 1
1322 2 30 LYS HA 2 61 LEU QD 1.800 . 6.000 3.203 2.243 3.859 . 0 0 "[ . 1 . 2 ]" 1
1323 1 30 LYS H 1 68 GLU H 1.800 . 6.000 5.994 5.938 6.027 0.027 2 0 "[ . 1 . 2 ]" 1
1324 2 30 LYS H 2 68 GLU H 1.800 . 6.000 5.994 5.939 6.026 0.026 2 0 "[ . 1 . 2 ]" 1
1325 1 30 LYS H 1 68 GLU HA 1.800 . 5.000 4.388 4.179 4.593 . 0 0 "[ . 1 . 2 ]" 1
1326 2 30 LYS H 2 68 GLU HA 1.800 . 5.000 4.388 4.180 4.593 . 0 0 "[ . 1 . 2 ]" 1
1327 1 31 SER H 1 61 LEU QD 1.800 . 6.000 5.565 4.532 6.039 0.039 2 0 "[ . 1 . 2 ]" 1
1328 2 31 SER H 2 61 LEU QD 1.800 . 6.000 5.565 4.531 6.039 0.039 2 0 "[ . 1 . 2 ]" 1
1329 1 33 LEU QD 1 61 LEU HG 1.800 . 6.000 4.035 2.432 5.083 . 0 0 "[ . 1 . 2 ]" 1
1330 2 33 LEU QD 2 61 LEU HG 1.800 . 6.000 4.035 2.433 5.083 . 0 0 "[ . 1 . 2 ]" 1
1331 1 33 LEU H 1 61 LEU QD 1.800 . 6.000 4.918 4.125 5.492 . 0 0 "[ . 1 . 2 ]" 1
1332 2 33 LEU H 2 61 LEU QD 1.800 . 6.000 4.918 4.126 5.492 . 0 0 "[ . 1 . 2 ]" 1
1333 1 33 LEU QD 1 61 LEU QD 1.800 . 3.300 2.133 1.900 2.534 . 0 0 "[ . 1 . 2 ]" 1
1334 2 33 LEU QD 2 61 LEU QD 1.800 . 3.300 2.133 1.900 2.534 . 0 0 "[ . 1 . 2 ]" 1
1335 1 33 LEU QD 1 74 PHE HA 1.800 . 5.000 2.678 2.253 3.034 . 0 0 "[ . 1 . 2 ]" 1
1336 2 33 LEU QD 2 74 PHE HA 1.800 . 5.000 2.678 2.253 3.034 . 0 0 "[ . 1 . 2 ]" 1
1337 1 33 LEU QD 1 74 PHE QD 1.800 . 6.000 2.073 1.984 2.127 . 0 0 "[ . 1 . 2 ]" 1
1338 2 33 LEU QD 2 74 PHE QD 1.800 . 6.000 2.073 1.984 2.127 . 0 0 "[ . 1 . 2 ]" 1
1339 1 33 LEU QD 1 77 PHE QB 1.800 . 6.000 3.085 2.733 3.435 . 0 0 "[ . 1 . 2 ]" 1
1340 2 33 LEU QD 2 77 PHE QB 1.800 . 6.000 3.085 2.733 3.434 . 0 0 "[ . 1 . 2 ]" 1
1341 1 33 LEU QD 1 77 PHE QD 1.800 . 5.000 3.491 2.662 3.950 . 0 0 "[ . 1 . 2 ]" 1
1342 2 33 LEU QD 2 77 PHE QD 1.800 . 5.000 3.491 2.661 3.950 . 0 0 "[ . 1 . 2 ]" 1
1343 1 34 LYS H 1 61 LEU QD 1.800 . 4.200 3.678 2.749 4.177 . 0 0 "[ . 1 . 2 ]" 1
1344 2 34 LYS H 2 61 LEU QD 1.800 . 4.200 3.677 2.750 4.177 . 0 0 "[ . 1 . 2 ]" 1
1345 1 34 LYS HA 1 61 LEU QD 1.800 . 5.000 3.233 2.751 4.031 . 0 0 "[ . 1 . 2 ]" 1
1346 2 34 LYS HA 2 61 LEU QD 1.800 . 5.000 3.232 2.752 4.030 . 0 0 "[ . 1 . 2 ]" 1
1347 1 35 GLU H 1 61 LEU QD 1.800 . 6.000 5.645 4.829 6.062 0.062 1 0 "[ . 1 . 2 ]" 1
1348 2 35 GLU H 2 61 LEU QD 1.800 . 6.000 5.645 4.829 6.062 0.062 1 0 "[ . 1 . 2 ]" 1
1349 1 18 TYR QD 1 36 LEU H 1.800 . 6.000 5.918 5.670 6.018 0.018 9 0 "[ . 1 . 2 ]" 1
1350 2 18 TYR QD 2 36 LEU H 1.800 . 6.000 5.918 5.670 6.018 0.018 9 0 "[ . 1 . 2 ]" 1
1351 1 18 TYR QD 1 36 LEU QD 1.800 . 4.200 2.842 2.321 3.301 . 0 0 "[ . 1 . 2 ]" 1
1352 2 18 TYR QD 2 36 LEU QD 1.800 . 4.200 2.842 2.322 3.302 . 0 0 "[ . 1 . 2 ]" 1
1353 1 18 TYR QE 1 36 LEU H 1.800 . 6.000 5.683 5.386 5.941 . 0 0 "[ . 1 . 2 ]" 1
1354 2 18 TYR QE 2 36 LEU H 1.800 . 6.000 5.684 5.387 5.942 . 0 0 "[ . 1 . 2 ]" 1
1355 1 18 TYR QE 1 36 LEU QD 1.800 . 6.000 2.802 2.364 3.613 . 0 0 "[ . 1 . 2 ]" 1
1356 2 18 TYR QE 2 36 LEU QD 1.800 . 6.000 2.801 2.364 3.614 . 0 0 "[ . 1 . 2 ]" 1
1357 1 28 LEU QD 1 36 LEU QD 1.800 . 5.000 2.711 2.172 3.301 . 0 0 "[ . 1 . 2 ]" 1
1358 2 28 LEU QD 2 36 LEU QD 1.800 . 5.000 2.711 2.171 3.301 . 0 0 "[ . 1 . 2 ]" 1
1359 1 36 LEU QD 1 74 PHE QE 1.800 . 5.000 2.977 2.184 4.080 . 0 0 "[ . 1 . 2 ]" 1
1360 2 36 LEU QD 2 74 PHE QE 1.800 . 5.000 2.978 2.185 4.079 . 0 0 "[ . 1 . 2 ]" 1
1361 1 36 LEU QD 1 74 PHE HZ 1.800 . 6.000 3.587 2.767 4.729 . 0 0 "[ . 1 . 2 ]" 1
1362 2 36 LEU QD 2 74 PHE HZ 1.800 . 6.000 3.587 2.766 4.729 . 0 0 "[ . 1 . 2 ]" 1
1363 1 37 ILE MD 1 57 VAL MG1 1.800 . 3.300 3.111 2.893 3.268 . 0 0 "[ . 1 . 2 ]" 1
1364 2 37 ILE MD 2 57 VAL MG1 1.800 . 3.300 3.111 2.893 3.268 . 0 0 "[ . 1 . 2 ]" 1
1365 1 37 ILE MD 1 77 PHE QB 1.800 . 5.000 3.759 3.234 4.201 . 0 0 "[ . 1 . 2 ]" 1
1366 2 37 ILE MD 2 77 PHE QB 1.800 . 5.000 3.759 3.234 4.202 . 0 0 "[ . 1 . 2 ]" 1
1367 1 37 ILE MD 1 78 VAL HA 1.800 . 5.000 4.891 4.217 5.026 0.026 14 0 "[ . 1 . 2 ]" 1
1368 2 37 ILE MD 2 78 VAL HA 1.800 . 5.000 4.891 4.217 5.026 0.026 14 0 "[ . 1 . 2 ]" 1
1369 1 37 ILE MG 1 81 VAL MG1 1.800 . 3.300 3.262 3.044 3.360 0.060 3 0 "[ . 1 . 2 ]" 1
1370 2 37 ILE MG 2 81 VAL MG1 1.800 . 3.300 3.262 3.044 3.360 0.060 3 0 "[ . 1 . 2 ]" 1
1371 1 41 LEU QD 1 78 VAL HA 1.800 . 5.000 3.035 2.715 3.517 . 0 0 "[ . 1 . 2 ]" 1
1372 2 41 LEU QD 2 78 VAL HA 1.800 . 5.000 3.035 2.714 3.517 . 0 0 "[ . 1 . 2 ]" 1
1373 1 41 LEU QD 1 78 VAL HB 1.800 . 5.000 4.723 4.306 4.969 . 0 0 "[ . 1 . 2 ]" 1
1374 2 41 LEU QD 2 78 VAL HB 1.800 . 5.000 4.723 4.306 4.969 . 0 0 "[ . 1 . 2 ]" 1
1375 1 41 LEU QD 1 78 VAL MG1 1.800 . 3.300 2.595 2.195 2.814 . 0 0 "[ . 1 . 2 ]" 1
1376 2 41 LEU QD 2 78 VAL MG1 1.800 . 3.300 2.595 2.195 2.814 . 0 0 "[ . 1 . 2 ]" 1
1377 1 41 LEU QD 1 78 VAL MG2 1.800 . 5.000 2.900 2.560 3.266 . 0 0 "[ . 1 . 2 ]" 1
1378 2 41 LEU QD 2 78 VAL MG2 1.800 . 5.000 2.900 2.560 3.266 . 0 0 "[ . 1 . 2 ]" 1
1379 1 41 LEU QD 1 81 VAL MG1 1.800 . 3.300 2.116 1.958 2.299 . 0 0 "[ . 1 . 2 ]" 1
1380 2 41 LEU QD 2 81 VAL MG1 1.800 . 3.300 2.116 1.958 2.298 . 0 0 "[ . 1 . 2 ]" 1
1381 1 41 LEU QD 1 81 VAL HB 1.800 . 5.000 2.689 2.440 3.169 . 0 0 "[ . 1 . 2 ]" 1
1382 2 41 LEU QD 2 81 VAL HB 1.800 . 5.000 2.689 2.440 3.170 . 0 0 "[ . 1 . 2 ]" 1
1383 1 45 LEU QD 1 54 VAL MG1 1.800 . 4.200 3.270 2.718 4.217 0.017 10 0 "[ . 1 . 2 ]" 1
1384 2 45 LEU QD 2 54 VAL MG1 1.800 . 4.200 3.270 2.717 4.217 0.017 10 0 "[ . 1 . 2 ]" 1
1385 1 45 LEU QD 1 58 MET ME 1.800 . 5.000 3.846 3.039 4.555 . 0 0 "[ . 1 . 2 ]" 1
1386 2 45 LEU QD 2 58 MET ME 1.800 . 5.000 3.846 3.040 4.555 . 0 0 "[ . 1 . 2 ]" 1
1387 1 45 LEU QD 1 81 VAL MG1 1.800 . 5.000 4.015 3.046 5.011 0.011 15 0 "[ . 1 . 2 ]" 1
1388 2 45 LEU QD 2 81 VAL MG1 1.800 . 5.000 4.015 3.045 5.011 0.011 15 0 "[ . 1 . 2 ]" 1
1389 1 48 ILE MG 1 54 VAL HB 1.800 . 5.000 3.307 2.812 3.973 . 0 0 "[ . 1 . 2 ]" 1
1390 2 48 ILE MG 2 54 VAL HB 1.800 . 5.000 3.307 2.813 3.975 . 0 0 "[ . 1 . 2 ]" 1
1391 1 48 ILE MD 1 54 VAL HB 1.800 . 5.000 4.473 3.475 5.041 0.041 7 0 "[ . 1 . 2 ]" 1
1392 2 48 ILE MD 2 54 VAL HB 1.800 . 5.000 4.473 3.476 5.042 0.042 7 0 "[ . 1 . 2 ]" 1
1393 1 48 ILE MG 1 54 VAL MG1 1.800 . 4.200 3.592 3.224 4.097 . 0 0 "[ . 1 . 2 ]" 1
1394 2 48 ILE MG 2 54 VAL MG1 1.800 . 4.200 3.592 3.225 4.097 . 0 0 "[ . 1 . 2 ]" 1
1395 1 48 ILE MG 1 54 VAL MG2 1.800 . 2.900 2.103 1.932 2.336 . 0 0 "[ . 1 . 2 ]" 1
1396 2 48 ILE MG 2 54 VAL MG2 1.800 . 2.900 2.103 1.932 2.336 . 0 0 "[ . 1 . 2 ]" 1
1397 1 48 ILE MD 1 54 VAL MG2 1.800 . 4.200 2.441 2.081 2.805 . 0 0 "[ . 1 . 2 ]" 1
1398 2 48 ILE MD 2 54 VAL MG2 1.800 . 4.200 2.441 2.082 2.806 . 0 0 "[ . 1 . 2 ]" 1
1399 1 48 ILE MG 1 84 ALA MB 1.800 . 3.300 3.274 3.026 3.355 0.055 7 0 "[ . 1 . 2 ]" 1
1400 2 48 ILE MG 2 84 ALA MB 1.800 . 3.300 3.274 3.026 3.355 0.055 7 0 "[ . 1 . 2 ]" 1
1401 1 50 GLU H 1 84 ALA MB 1.800 . 5.000 4.370 3.730 4.987 . 0 0 "[ . 1 . 2 ]" 1
1402 2 50 GLU H 2 84 ALA MB 1.800 . 5.000 4.369 3.730 4.987 . 0 0 "[ . 1 . 2 ]" 1
1403 1 53 VAL MG2 1 81 VAL HA 1.800 . 6.000 5.912 4.773 6.091 0.091 4 0 "[ . 1 . 2 ]" 1
1404 2 53 VAL MG2 2 81 VAL HA 1.800 . 6.000 5.912 4.772 6.090 0.090 4 0 "[ . 1 . 2 ]" 1
1405 1 53 VAL MG2 1 84 ALA MB 1.800 . 6.000 3.044 1.973 3.327 . 0 0 "[ . 1 . 2 ]" 1
1406 2 53 VAL MG2 2 84 ALA MB 1.800 . 6.000 3.043 1.973 3.327 . 0 0 "[ . 1 . 2 ]" 1
1407 1 48 ILE QG 1 54 VAL MG2 1.800 . 6.000 3.041 2.413 3.693 . 0 0 "[ . 1 . 2 ]" 1
1408 2 48 ILE QG 2 54 VAL MG2 1.800 . 6.000 3.041 2.413 3.693 . 0 0 "[ . 1 . 2 ]" 1
1409 1 54 VAL H 1 84 ALA MB 1.800 . 6.000 3.550 3.268 3.870 . 0 0 "[ . 1 . 2 ]" 1
1410 2 54 VAL H 2 84 ALA MB 1.800 . 6.000 3.550 3.268 3.870 . 0 0 "[ . 1 . 2 ]" 1
1411 1 54 VAL MG2 1 84 ALA MB 1.800 . 2.900 2.533 2.207 2.798 . 0 0 "[ . 1 . 2 ]" 1
1412 2 54 VAL MG2 2 84 ALA MB 1.800 . 2.900 2.533 2.207 2.799 . 0 0 "[ . 1 . 2 ]" 1
1413 1 57 VAL MG2 1 77 PHE HA 1.800 . 6.000 4.324 3.851 4.727 . 0 0 "[ . 1 . 2 ]" 1
1414 2 57 VAL MG2 2 77 PHE HA 1.800 . 6.000 4.324 3.850 4.726 . 0 0 "[ . 1 . 2 ]" 1
1415 1 57 VAL MG2 1 77 PHE QE 1.800 . 4.300 4.185 3.451 4.343 0.043 17 0 "[ . 1 . 2 ]" 1
1416 2 57 VAL MG2 2 77 PHE QE 1.800 . 4.300 4.185 3.451 4.343 0.043 17 0 "[ . 1 . 2 ]" 1
1417 1 57 VAL MG2 1 80 MET HA 1.800 . 5.000 4.853 4.340 5.020 0.020 2 0 "[ . 1 . 2 ]" 1
1418 2 57 VAL MG2 2 80 MET HA 1.800 . 5.000 4.853 4.340 5.020 0.020 2 0 "[ . 1 . 2 ]" 1
1419 1 57 VAL MG2 1 80 MET QB 1.800 . 5.000 2.670 2.263 2.874 . 0 0 "[ . 1 . 2 ]" 1
1420 2 57 VAL MG2 2 80 MET QB 1.800 . 5.000 2.670 2.263 2.874 . 0 0 "[ . 1 . 2 ]" 1
1421 1 57 VAL H 1 81 VAL MG2 1.800 . 6.000 5.033 4.905 5.412 . 0 0 "[ . 1 . 2 ]" 1
1422 2 57 VAL H 2 81 VAL MG2 1.800 . 6.000 5.033 4.905 5.411 . 0 0 "[ . 1 . 2 ]" 1
1423 1 34 LYS HA 1 58 MET ME 1.800 . 5.000 4.492 4.036 4.870 . 0 0 "[ . 1 . 2 ]" 1
1424 2 34 LYS HA 2 58 MET ME 1.800 . 5.000 4.492 4.037 4.870 . 0 0 "[ . 1 . 2 ]" 1
1425 1 34 LYS QG 1 58 MET ME 1.800 . 5.000 3.349 2.848 4.065 . 0 0 "[ . 1 . 2 ]" 1
1426 2 34 LYS QG 2 58 MET ME 1.800 . 5.000 3.350 2.849 4.064 . 0 0 "[ . 1 . 2 ]" 1
1427 1 37 ILE HB 1 58 MET ME 1.800 . 5.000 3.589 2.998 4.078 . 0 0 "[ . 1 . 2 ]" 1
1428 2 37 ILE HB 2 58 MET ME 1.800 . 5.000 3.589 2.998 4.078 . 0 0 "[ . 1 . 2 ]" 1
1429 1 37 ILE MD 1 58 MET ME 1.800 . 4.200 3.031 2.358 3.646 . 0 0 "[ . 1 . 2 ]" 1
1430 2 37 ILE MD 2 58 MET ME 1.800 . 4.200 3.031 2.358 3.646 . 0 0 "[ . 1 . 2 ]" 1
1431 1 37 ILE MG 1 58 MET ME 1.800 . 3.300 2.588 2.090 3.296 . 0 0 "[ . 1 . 2 ]" 1
1432 2 37 ILE MG 2 58 MET ME 1.800 . 3.300 2.588 2.090 3.296 . 0 0 "[ . 1 . 2 ]" 1
1433 1 38 ASN HA 1 58 MET ME 1.800 . 5.000 4.966 4.733 5.044 0.044 19 0 "[ . 1 . 2 ]" 1
1434 2 38 ASN HA 2 58 MET ME 1.800 . 5.000 4.966 4.734 5.044 0.044 19 0 "[ . 1 . 2 ]" 1
1435 1 58 MET H 1 81 VAL MG2 1.800 . 6.000 5.050 4.841 5.349 . 0 0 "[ . 1 . 2 ]" 1
1436 2 58 MET H 2 81 VAL MG2 1.800 . 6.000 5.050 4.840 5.349 . 0 0 "[ . 1 . 2 ]" 1
1437 1 58 MET ME 1 81 VAL MG2 1.800 . 5.000 4.161 3.351 5.006 0.006 11 0 "[ . 1 . 2 ]" 1
1438 2 58 MET ME 2 81 VAL MG2 1.800 . 5.000 4.161 3.352 5.006 0.006 11 0 "[ . 1 . 2 ]" 1
1439 1 60 THR MG 1 77 PHE HZ 1.800 . 5.000 2.530 2.075 3.998 . 0 0 "[ . 1 . 2 ]" 1
1440 2 60 THR MG 2 77 PHE HZ 1.800 . 5.000 2.530 2.075 3.998 . 0 0 "[ . 1 . 2 ]" 1
1441 1 34 LYS QB 1 61 LEU QD 1.800 . 5.000 3.455 2.410 4.311 . 0 0 "[ . 1 . 2 ]" 1
1442 2 34 LYS QB 2 61 LEU QD 1.800 . 5.000 3.455 2.410 4.310 . 0 0 "[ . 1 . 2 ]" 1
1443 1 37 ILE MD 1 61 LEU QD 1.800 . 3.300 2.121 1.876 2.862 . 0 0 "[ . 1 . 2 ]" 1
1444 2 37 ILE MD 2 61 LEU QD 1.800 . 3.300 2.121 1.877 2.862 . 0 0 "[ . 1 . 2 ]" 1
1445 1 61 LEU H 1 77 PHE HZ 1.800 . 6.000 4.685 3.829 5.240 . 0 0 "[ . 1 . 2 ]" 1
1446 2 61 LEU H 2 77 PHE HZ 1.800 . 6.000 4.686 3.831 5.241 . 0 0 "[ . 1 . 2 ]" 1
1447 1 30 LYS QB 1 64 ASP HA 1.800 . 5.000 4.023 3.669 4.344 . 0 0 "[ . 1 . 2 ]" 1
1448 2 30 LYS QB 2 64 ASP HA 1.800 . 5.000 4.044 3.697 4.358 . 0 0 "[ . 1 . 2 ]" 1
1449 1 30 LYS QB 1 67 GLY H 1.800 . 6.000 5.839 5.539 6.073 0.073 6 0 "[ . 1 . 2 ]" 1
1450 2 30 LYS QB 2 67 GLY H 1.800 . 6.000 5.840 5.540 6.073 0.073 6 0 "[ . 1 . 2 ]" 1
1451 1 30 LYS QE 1 67 GLY H 1.800 . 6.000 5.082 4.188 6.022 0.022 4 0 "[ . 1 . 2 ]" 1
1452 2 30 LYS QE 2 67 GLY H 1.800 . 6.000 5.083 4.192 6.023 0.023 4 0 "[ . 1 . 2 ]" 1
1453 1 29 LYS HA 1 68 GLU H 1.800 . 6.000 5.463 5.370 5.621 . 0 0 "[ . 1 . 2 ]" 1
1454 2 29 LYS HA 2 68 GLU H 1.800 . 6.000 5.463 5.371 5.621 . 0 0 "[ . 1 . 2 ]" 1
1455 1 29 LYS QG 1 68 GLU HA 1.800 . 3.500 3.043 2.619 3.468 . 0 0 "[ . 1 . 2 ]" 1
1456 2 29 LYS QG 2 68 GLU HA 1.800 . 3.500 3.043 2.620 3.468 . 0 0 "[ . 1 . 2 ]" 1
1457 1 27 LYS HA 1 69 CYS H 1.800 . 6.000 5.277 5.150 5.377 . 0 0 "[ . 1 . 2 ]" 1
1458 2 27 LYS HA 2 69 CYS H 1.800 . 6.000 5.277 5.149 5.377 . 0 0 "[ . 1 . 2 ]" 1
1459 1 27 LYS QB 1 69 CYS H 1.800 . 6.000 3.989 3.766 4.258 . 0 0 "[ . 1 . 2 ]" 1
1460 2 27 LYS QB 2 69 CYS H 1.800 . 6.000 3.990 3.767 4.258 . 0 0 "[ . 1 . 2 ]" 1
1461 1 28 LEU QB 1 69 CYS H 1.800 . 5.000 4.241 4.121 4.350 . 0 0 "[ . 1 . 2 ]" 1
1462 2 28 LEU QB 2 69 CYS H 1.800 . 5.000 4.241 4.121 4.350 . 0 0 "[ . 1 . 2 ]" 1
1463 1 28 LEU QD 1 69 CYS H 1.800 . 6.000 5.100 4.785 5.372 . 0 0 "[ . 1 . 2 ]" 1
1464 2 28 LEU QD 2 69 CYS H 1.800 . 6.000 5.100 4.785 5.372 . 0 0 "[ . 1 . 2 ]" 1
1465 1 29 LYS H 1 69 CYS H 1.800 . 6.000 4.483 4.315 4.641 . 0 0 "[ . 1 . 2 ]" 1
1466 2 29 LYS H 2 69 CYS H 1.800 . 6.000 4.483 4.315 4.642 . 0 0 "[ . 1 . 2 ]" 1
1467 1 29 LYS HA 1 69 CYS H 1.800 . 5.000 2.520 2.320 2.711 . 0 0 "[ . 1 . 2 ]" 1
1468 2 29 LYS HA 2 69 CYS H 1.800 . 5.000 2.520 2.320 2.712 . 0 0 "[ . 1 . 2 ]" 1
1469 1 29 LYS QB 1 69 CYS H 1.800 . 5.000 4.573 4.350 4.790 . 0 0 "[ . 1 . 2 ]" 1
1470 2 29 LYS QB 2 69 CYS H 1.800 . 5.000 4.573 4.350 4.790 . 0 0 "[ . 1 . 2 ]" 1
1471 1 30 LYS H 1 69 CYS H 1.800 . 6.000 3.982 3.882 4.159 . 0 0 "[ . 1 . 2 ]" 1
1472 2 30 LYS H 2 69 CYS H 1.800 . 6.000 3.982 3.882 4.159 . 0 0 "[ . 1 . 2 ]" 1
1473 1 27 LYS QB 1 70 ASP H 1.800 . 6.000 5.206 4.842 5.673 . 0 0 "[ . 1 . 2 ]" 1
1474 2 27 LYS QB 2 70 ASP H 1.800 . 6.000 5.206 4.843 5.674 . 0 0 "[ . 1 . 2 ]" 1
1475 1 15 PHE QE 1 71 PHE H 1.800 . 6.000 5.618 5.407 5.875 . 0 0 "[ . 1 . 2 ]" 1
1476 2 15 PHE QE 2 71 PHE H 1.800 . 6.000 5.618 5.406 5.875 . 0 0 "[ . 1 . 2 ]" 1
1477 1 15 PHE QE 1 71 PHE HA 1.800 . 4.200 3.776 3.455 4.201 0.001 13 0 "[ . 1 . 2 ]" 1
1478 2 15 PHE QE 2 71 PHE HA 1.800 . 4.200 3.776 3.455 4.201 0.001 13 0 "[ . 1 . 2 ]" 1
1479 1 15 PHE HZ 1 71 PHE H 1.800 . 6.000 5.271 5.066 5.531 . 0 0 "[ . 1 . 2 ]" 1
1480 2 15 PHE HZ 2 71 PHE H 1.800 . 6.000 5.271 5.066 5.530 . 0 0 "[ . 1 . 2 ]" 1
1481 1 15 PHE HZ 1 71 PHE HA 1.800 . 5.000 4.185 3.880 4.457 . 0 0 "[ . 1 . 2 ]" 1
1482 2 15 PHE HZ 2 71 PHE HA 1.800 . 5.000 4.184 3.880 4.456 . 0 0 "[ . 1 . 2 ]" 1
1483 1 8 MET ME 2 75 MET ME 1.800 . 3.300 3.309 3.188 3.351 0.051 12 0 "[ . 1 . 2 ]" 1
1484 1 75 MET ME 2 8 MET ME 1.800 . 3.300 3.311 3.194 3.359 0.059 12 0 "[ . 1 . 2 ]" 1
1485 1 11 LEU QD 1 75 MET ME 1.800 . 5.000 2.817 2.176 3.636 . 0 0 "[ . 1 . 2 ]" 1
1486 2 11 LEU QD 2 75 MET ME 1.800 . 5.000 2.817 2.176 3.636 . 0 0 "[ . 1 . 2 ]" 1
1487 1 33 LEU QD 1 78 VAL H 1.800 . 6.000 4.702 4.367 5.037 . 0 0 "[ . 1 . 2 ]" 1
1488 2 33 LEU QD 2 78 VAL H 1.800 . 6.000 4.702 4.368 5.036 . 0 0 "[ . 1 . 2 ]" 1
1489 1 37 ILE MD 1 78 VAL H 1.800 . 6.000 5.893 5.154 6.068 0.068 13 0 "[ . 1 . 2 ]" 1
1490 2 37 ILE MD 2 78 VAL H 1.800 . 6.000 5.893 5.153 6.067 0.067 13 0 "[ . 1 . 2 ]" 1
1491 1 37 ILE MD 1 78 VAL MG2 1.800 . 5.000 4.373 3.679 4.604 . 0 0 "[ . 1 . 2 ]" 1
1492 2 37 ILE MD 2 78 VAL MG2 1.800 . 5.000 4.373 3.679 4.604 . 0 0 "[ . 1 . 2 ]" 1
1493 1 53 VAL MG1 1 80 MET ME 1.800 . 6.000 4.338 3.055 5.912 . 0 0 "[ . 1 . 2 ]" 1
1494 2 53 VAL MG1 2 80 MET ME 1.800 . 6.000 4.338 3.055 5.912 . 0 0 "[ . 1 . 2 ]" 1
1495 1 57 VAL MG2 1 80 MET ME 1.800 . 4.300 3.426 2.493 4.300 . 0 0 "[ . 1 . 2 ]" 1
1496 2 57 VAL MG2 2 80 MET ME 1.800 . 4.300 3.426 2.494 4.299 . 0 0 "[ . 1 . 2 ]" 1
1497 1 57 VAL MG1 1 80 MET ME 1.800 . 5.000 4.736 3.843 5.000 . 0 0 "[ . 1 . 2 ]" 1
1498 2 57 VAL MG1 2 80 MET ME 1.800 . 5.000 4.736 3.843 5.000 . 0 0 "[ . 1 . 2 ]" 1
1499 1 37 ILE MG 1 81 VAL MG2 1.800 . 3.300 3.322 3.181 3.361 0.061 12 0 "[ . 1 . 2 ]" 1
1500 2 37 ILE MG 2 81 VAL MG2 1.800 . 3.300 3.322 3.180 3.361 0.061 12 0 "[ . 1 . 2 ]" 1
1501 1 37 ILE MD 1 81 VAL MG2 1.800 . 3.300 3.198 2.870 3.319 0.019 19 0 "[ . 1 . 2 ]" 1
1502 2 37 ILE MD 2 81 VAL MG2 1.800 . 3.300 3.199 2.871 3.320 0.020 19 0 "[ . 1 . 2 ]" 1
1503 1 41 LEU QD 1 81 VAL MG2 1.800 . 6.000 2.997 2.638 3.845 . 0 0 "[ . 1 . 2 ]" 1
1504 2 41 LEU QD 2 81 VAL MG2 1.800 . 6.000 2.997 2.639 3.845 . 0 0 "[ . 1 . 2 ]" 1
1505 1 57 VAL MG1 1 81 VAL MG2 1.800 . 5.000 2.062 1.986 2.211 . 0 0 "[ . 1 . 2 ]" 1
1506 2 57 VAL MG1 2 81 VAL MG2 1.800 . 5.000 2.062 1.986 2.212 . 0 0 "[ . 1 . 2 ]" 1
1507 1 44 PHE QE 1 82 THR MG 1.800 . 5.000 3.585 2.134 4.341 . 0 0 "[ . 1 . 2 ]" 1
1508 2 44 PHE QE 2 82 THR MG 1.800 . 5.000 3.585 2.135 4.340 . 0 0 "[ . 1 . 2 ]" 1
1509 1 50 GLU QB 1 84 ALA MB 1.800 . 4.200 3.292 2.645 4.104 . 0 0 "[ . 1 . 2 ]" 1
1510 2 50 GLU QB 2 84 ALA MB 1.800 . 4.200 3.292 2.645 4.104 . 0 0 "[ . 1 . 2 ]" 1
1511 1 50 GLU QG 1 84 ALA MB 1.800 . 5.000 4.497 3.685 5.058 0.058 8 0 "[ . 1 . 2 ]" 1
1512 2 50 GLU QG 2 84 ALA MB 1.800 . 5.000 4.497 3.685 5.058 0.058 8 0 "[ . 1 . 2 ]" 1
1513 1 53 VAL HA 1 84 ALA MB 1.800 . 6.000 4.701 4.574 4.885 . 0 0 "[ . 1 . 2 ]" 1
1514 2 53 VAL HA 2 84 ALA MB 1.800 . 6.000 4.701 4.575 4.885 . 0 0 "[ . 1 . 2 ]" 1
1515 1 53 VAL HB 1 84 ALA H 1.800 . 6.000 5.700 5.298 6.036 0.036 11 0 "[ . 1 . 2 ]" 1
1516 2 53 VAL HB 2 84 ALA H 1.800 . 6.000 5.700 5.299 6.036 0.036 11 0 "[ . 1 . 2 ]" 1
1517 1 53 VAL HB 1 84 ALA MB 1.800 . 5.000 2.464 2.259 2.905 . 0 0 "[ . 1 . 2 ]" 1
1518 2 53 VAL HB 2 84 ALA MB 1.800 . 5.000 2.464 2.259 2.906 . 0 0 "[ . 1 . 2 ]" 1
1519 1 53 VAL MG1 1 84 ALA H 1.800 . 6.000 4.204 3.661 6.014 0.014 7 0 "[ . 1 . 2 ]" 1
1520 2 53 VAL MG1 2 84 ALA H 1.800 . 6.000 4.204 3.662 6.014 0.014 7 0 "[ . 1 . 2 ]" 1
1521 1 53 VAL MG1 1 84 ALA MB 1.800 . 3.500 2.240 1.908 3.549 0.049 7 0 "[ . 1 . 2 ]" 1
1522 2 53 VAL MG1 2 84 ALA MB 1.800 . 3.500 2.240 1.908 3.550 0.050 7 0 "[ . 1 . 2 ]" 1
1523 1 54 VAL HA 1 84 ALA MB 1.800 . 5.000 3.971 3.548 4.550 . 0 0 "[ . 1 . 2 ]" 1
1524 2 54 VAL HA 2 84 ALA MB 1.800 . 5.000 3.970 3.548 4.550 . 0 0 "[ . 1 . 2 ]" 1
1525 1 54 VAL HB 1 84 ALA MB 1.800 . 5.000 4.759 4.455 5.022 0.022 9 0 "[ . 1 . 2 ]" 1
1526 2 54 VAL HB 2 84 ALA MB 1.800 . 5.000 4.759 4.455 5.021 0.021 9 0 "[ . 1 . 2 ]" 1
1527 1 83 THR MG 1 88 PHE QD 1.800 . 5.000 4.326 3.126 4.945 . 0 0 "[ . 1 . 2 ]" 1
1528 2 83 THR MG 2 88 PHE QD 1.800 . 5.000 4.326 3.126 4.945 . 0 0 "[ . 1 . 2 ]" 1
1529 1 14 VAL QG 2 3 GLU H 1.800 . 5.000 3.936 3.531 4.614 . 0 0 "[ . 1 . 2 ]" 1
1530 1 3 GLU H 2 14 VAL QG 1.800 . 5.000 3.930 3.521 4.613 . 0 0 "[ . 1 . 2 ]" 1
1531 1 11 LEU HA 2 4 LEU QD 1.800 . 5.000 3.309 2.314 3.673 . 0 0 "[ . 1 . 2 ]" 1
1532 1 4 LEU QD 2 11 LEU HA 1.800 . 5.000 3.307 2.316 3.687 . 0 0 "[ . 1 . 2 ]" 1
1533 1 11 LEU HG 2 4 LEU QD 1.800 . 5.000 3.293 2.124 4.160 . 0 0 "[ . 1 . 2 ]" 1
1534 1 4 LEU QD 2 11 LEU HG 1.800 . 5.000 3.291 2.111 4.173 . 0 0 "[ . 1 . 2 ]" 1
1535 1 14 VAL QG 2 4 LEU H 1.800 . 4.200 2.764 2.392 3.390 . 0 0 "[ . 1 . 2 ]" 1
1536 1 4 LEU H 2 14 VAL QG 1.800 . 4.200 2.758 2.361 3.368 . 0 0 "[ . 1 . 2 ]" 1
1537 1 14 VAL HB 2 4 LEU QD 1.800 . 5.000 2.956 2.330 3.463 . 0 0 "[ . 1 . 2 ]" 1
1538 1 4 LEU QD 2 14 VAL HB 1.800 . 5.000 2.955 2.289 3.390 . 0 0 "[ . 1 . 2 ]" 1
1539 1 40 GLU QB 2 4 LEU QD 1.800 . 5.000 2.827 2.076 3.851 . 0 0 "[ . 1 . 2 ]" 1
1540 1 4 LEU QD 2 40 GLU QB 1.800 . 5.000 2.827 2.067 3.846 . 0 0 "[ . 1 . 2 ]" 1
1541 1 74 PHE QE 2 4 LEU QD 1.800 . 6.000 3.750 3.267 4.275 . 0 0 "[ . 1 . 2 ]" 1
1542 1 4 LEU QD 2 74 PHE QE 1.800 . 6.000 3.745 3.267 4.285 . 0 0 "[ . 1 . 2 ]" 1
1543 1 74 PHE HZ 2 4 LEU QD 1.800 . 6.000 3.223 2.611 3.684 . 0 0 "[ . 1 . 2 ]" 1
1544 1 4 LEU QD 2 74 PHE HZ 1.800 . 6.000 3.217 2.590 3.675 . 0 0 "[ . 1 . 2 ]" 1
1545 1 7 ALA HA 2 7 ALA MB 1.800 . 5.000 2.611 2.220 3.039 . 0 0 "[ . 1 . 2 ]" 1
1546 1 7 ALA MB 2 7 ALA HA 1.800 . 5.000 2.611 2.224 3.039 . 0 0 "[ . 1 . 2 ]" 1
1547 1 11 LEU HA 2 7 ALA MB 1.800 . 5.000 4.511 4.168 4.760 . 0 0 "[ . 1 . 2 ]" 1
1548 1 7 ALA MB 2 11 LEU HA 1.800 . 5.000 4.507 4.167 4.754 . 0 0 "[ . 1 . 2 ]" 1
1549 1 11 LEU QB 2 7 ALA MB 1.800 . 5.000 4.736 4.191 5.013 0.013 2 0 "[ . 1 . 2 ]" 1
1550 1 7 ALA MB 2 11 LEU QB 1.800 . 5.000 4.733 4.192 5.046 0.046 13 0 "[ . 1 . 2 ]" 1
1551 1 11 LEU HG 2 7 ALA MB 1.800 . 5.000 3.573 2.763 4.813 . 0 0 "[ . 1 . 2 ]" 1
1552 1 7 ALA MB 2 11 LEU HG 1.800 . 5.000 3.569 2.753 4.807 . 0 0 "[ . 1 . 2 ]" 1
1553 1 11 LEU QD 2 8 MET ME 1.800 . 5.000 3.600 2.937 4.270 . 0 0 "[ . 1 . 2 ]" 1
1554 1 8 MET ME 2 11 LEU QD 1.800 . 5.000 3.600 2.945 4.261 . 0 0 "[ . 1 . 2 ]" 1
1555 1 78 VAL MG2 2 8 MET ME 1.800 . 5.000 4.536 3.695 5.014 0.014 7 0 "[ . 1 . 2 ]" 1
1556 1 8 MET ME 2 78 VAL MG2 1.800 . 5.000 4.531 3.682 5.018 0.018 7 0 "[ . 1 . 2 ]" 1
1557 1 79 SER HA 2 8 MET ME 1.800 . 6.000 4.274 3.739 4.916 . 0 0 "[ . 1 . 2 ]" 1
1558 1 8 MET ME 2 79 SER HA 1.800 . 6.000 4.270 3.698 4.902 . 0 0 "[ . 1 . 2 ]" 1
1559 1 82 THR HB 2 8 MET ME 1.800 . 5.000 3.770 3.330 4.229 . 0 0 "[ . 1 . 2 ]" 1
1560 1 8 MET ME 2 82 THR HB 1.800 . 5.000 3.770 3.308 4.196 . 0 0 "[ . 1 . 2 ]" 1
1561 1 44 PHE HZ 2 9 VAL MG2 1.800 . 5.000 2.635 2.196 4.319 . 0 0 "[ . 1 . 2 ]" 1
1562 1 9 VAL MG2 2 44 PHE HZ 1.800 . 5.000 2.629 2.186 4.280 . 0 0 "[ . 1 . 2 ]" 1
1563 1 44 PHE QE 2 9 VAL MG2 1.800 . 5.000 3.049 2.616 3.468 . 0 0 "[ . 1 . 2 ]" 1
1564 1 9 VAL MG2 2 44 PHE QE 1.800 . 5.000 3.043 2.584 3.467 . 0 0 "[ . 1 . 2 ]" 1
1565 1 44 PHE HZ 2 9 VAL H 1.800 . 6.000 3.850 3.224 5.989 . 0 0 "[ . 1 . 2 ]" 1
1566 1 9 VAL H 2 44 PHE HZ 1.800 . 6.000 3.845 3.273 5.954 . 0 0 "[ . 1 . 2 ]" 1
1567 1 4 LEU HA 2 11 LEU QD 1.800 . 5.000 3.674 2.948 4.105 . 0 0 "[ . 1 . 2 ]" 1
1568 1 11 LEU QD 2 4 LEU HA 1.800 . 5.000 3.678 2.958 4.115 . 0 0 "[ . 1 . 2 ]" 1
1569 1 7 ALA MB 2 11 LEU QD 1.800 . 3.300 2.809 1.927 3.361 0.061 2 0 "[ . 1 . 2 ]" 1
1570 1 11 LEU QD 2 7 ALA MB 1.800 . 3.300 2.812 1.924 3.367 0.067 2 0 "[ . 1 . 2 ]" 1
1571 1 11 LEU HG 2 11 LEU QD 1.800 . 5.000 4.360 3.799 4.849 . 0 0 "[ . 1 . 2 ]" 1
1572 1 11 LEU QD 2 11 LEU HG 1.800 . 5.000 4.360 3.804 4.846 . 0 0 "[ . 1 . 2 ]" 1
1573 1 3 GLU QB 2 14 VAL MG2 1.800 . 3.300 2.696 2.318 3.205 . 0 0 "[ . 1 . 2 ]" 1
1574 1 14 VAL MG2 2 3 GLU QB 1.800 . 3.300 2.701 2.319 3.232 . 0 0 "[ . 1 . 2 ]" 1
1575 1 3 GLU QB 2 14 VAL MG1 1.800 . 5.000 4.484 4.250 4.908 . 0 0 "[ . 1 . 2 ]" 1
1576 1 14 VAL MG1 2 3 GLU QB 1.800 . 5.000 4.488 4.261 4.908 . 0 0 "[ . 1 . 2 ]" 1
1577 1 3 GLU QG 2 14 VAL MG2 1.800 . 4.200 3.872 3.603 4.217 0.017 6 0 "[ . 1 . 2 ]" 1
1578 1 14 VAL MG2 2 3 GLU QG 1.800 . 4.200 3.876 3.603 4.215 0.015 6 0 "[ . 1 . 2 ]" 1
1579 1 3 GLU QG 2 14 VAL MG1 1.800 . 6.000 5.652 5.241 6.002 0.002 1 0 "[ . 1 . 2 ]" 1
1580 1 14 VAL MG1 2 3 GLU QG 1.800 . 6.000 5.656 5.249 6.015 0.015 1 0 "[ . 1 . 2 ]" 1
1581 1 4 LEU HA 2 14 VAL MG2 1.800 . 5.000 3.359 3.066 3.591 . 0 0 "[ . 1 . 2 ]" 1
1582 1 14 VAL MG2 2 4 LEU HA 1.800 . 5.000 3.360 3.061 3.626 . 0 0 "[ . 1 . 2 ]" 1
1583 1 4 LEU QB 2 14 VAL MG1 1.800 . 5.000 2.452 2.269 2.938 . 0 0 "[ . 1 . 2 ]" 1
1584 1 14 VAL MG1 2 4 LEU QB 1.800 . 5.000 2.457 2.276 2.970 . 0 0 "[ . 1 . 2 ]" 1
1585 1 4 LEU QB 2 14 VAL MG2 1.800 . 5.000 2.404 2.260 2.787 . 0 0 "[ . 1 . 2 ]" 1
1586 1 14 VAL MG2 2 4 LEU QB 1.800 . 5.000 2.405 2.266 2.861 . 0 0 "[ . 1 . 2 ]" 1
1587 1 4 LEU QD 2 14 VAL MG1 1.800 . 2.900 2.319 2.126 2.611 . 0 0 "[ . 1 . 2 ]" 1
1588 1 14 VAL MG1 2 4 LEU QD 1.800 . 2.900 2.318 2.105 2.633 . 0 0 "[ . 1 . 2 ]" 1
1589 1 7 ALA MB 2 14 VAL MG2 1.800 . 5.000 4.892 4.613 5.047 0.047 2 0 "[ . 1 . 2 ]" 1
1590 1 14 VAL MG2 2 7 ALA MB 1.800 . 5.000 4.892 4.610 5.049 0.049 2 0 "[ . 1 . 2 ]" 1
1591 1 4 LEU QD 2 15 PHE H 1.800 . 6.000 4.441 4.021 4.937 . 0 0 "[ . 1 . 2 ]" 1
1592 1 15 PHE H 2 4 LEU QD 1.800 . 6.000 4.444 4.059 4.986 . 0 0 "[ . 1 . 2 ]" 1
1593 1 88 PHE HZ 2 15 PHE QD 1.800 . 5.000 4.721 3.776 5.015 0.015 14 0 "[ . 1 . 2 ]" 1
1594 1 15 PHE QD 2 88 PHE HZ 1.800 . 5.000 4.710 3.778 5.024 0.024 19 0 "[ . 1 . 2 ]" 1
1595 1 9 VAL MG2 2 41 LEU QD 1.800 . 6.000 6.013 5.924 6.074 0.074 20 0 "[ . 1 . 2 ]" 1
1596 1 41 LEU QD 2 9 VAL MG2 1.800 . 6.000 6.019 5.921 6.067 0.067 4 0 "[ . 1 . 2 ]" 1
1597 1 9 VAL MG1 2 44 PHE QD 1.800 . 6.000 6.016 5.953 6.071 0.071 13 0 "[ . 1 . 2 ]" 1
1598 1 44 PHE QD 2 9 VAL MG1 1.800 . 6.000 6.023 5.970 6.063 0.063 7 0 "[ . 1 . 2 ]" 1
1599 1 83 THR MG 2 72 GLN H 1.800 . 5.000 4.002 3.487 4.538 . 0 0 "[ . 1 . 2 ]" 1
1600 1 72 GLN H 2 83 THR MG 1.800 . 5.000 4.000 3.503 4.478 . 0 0 "[ . 1 . 2 ]" 1
1601 1 11 LEU QD 2 75 MET ME 1.800 . 4.200 3.788 3.474 4.184 . 0 0 "[ . 1 . 2 ]" 1
1602 1 75 MET ME 2 11 LEU QD 1.800 . 4.200 3.790 3.482 4.175 . 0 0 "[ . 1 . 2 ]" 1
1603 1 79 SER QB 2 75 MET ME 1.800 . 5.000 4.675 3.662 5.017 0.017 8 0 "[ . 1 . 2 ]" 1
1604 1 75 MET ME 2 79 SER QB 1.800 . 5.000 4.670 3.666 5.020 0.020 8 0 "[ . 1 . 2 ]" 1
1605 1 4 LEU QD 2 78 VAL MG1 1.800 . 4.200 3.979 3.753 4.204 0.004 5 0 "[ . 1 . 2 ]" 1
1606 1 78 VAL MG1 2 4 LEU QD 1.800 . 4.200 3.981 3.756 4.214 0.014 5 0 "[ . 1 . 2 ]" 1
1607 1 4 LEU QD 2 78 VAL MG2 1.800 . 5.000 4.310 3.992 4.668 . 0 0 "[ . 1 . 2 ]" 1
1608 1 78 VAL MG2 2 4 LEU QD 1.800 . 5.000 4.313 4.006 4.619 . 0 0 "[ . 1 . 2 ]" 1
1609 1 8 MET ME 2 78 VAL MG1 1.800 . 3.300 2.520 1.960 2.989 . 0 0 "[ . 1 . 2 ]" 1
1610 1 78 VAL MG1 2 8 MET ME 1.800 . 3.300 2.525 1.985 2.971 . 0 0 "[ . 1 . 2 ]" 1
1611 1 72 GLN QE 2 80 MET H 1.800 . 6.000 4.578 2.569 5.478 . 0 0 "[ . 1 . 2 ]" 1
1612 1 80 MET H 2 72 GLN QE 1.800 . 6.000 4.581 2.592 5.452 . 0 0 "[ . 1 . 2 ]" 1
1613 1 8 MET ME 2 82 THR MG 1.800 . 3.300 2.580 2.139 3.322 0.022 11 0 "[ . 1 . 2 ]" 1
1614 1 82 THR MG 2 8 MET ME 1.800 . 3.300 2.581 2.134 3.327 0.027 11 0 "[ . 1 . 2 ]" 1
1615 1 12 ILE MD 2 82 THR MG 1.800 . 5.000 3.404 2.171 5.013 0.013 10 0 "[ . 1 . 2 ]" 1
1616 1 82 THR MG 2 12 ILE MD 1.800 . 5.000 3.409 2.178 5.016 0.016 10 0 "[ . 1 . 2 ]" 1
1617 1 71 PHE QD 2 83 THR MG 1.800 . 3.300 3.105 2.519 3.316 0.016 6 0 "[ . 1 . 2 ]" 1
1618 1 83 THR MG 2 71 PHE QD 1.800 . 3.300 3.111 2.503 3.337 0.037 6 0 "[ . 1 . 2 ]" 1
1619 1 15 PHE QD 2 88 PHE QE 1.800 . 5.000 3.752 3.150 4.439 . 0 0 "[ . 1 . 2 ]" 1
1620 1 88 PHE QE 2 15 PHE QD 1.800 . 5.000 3.762 3.080 4.405 . 0 0 "[ . 1 . 2 ]" 1
1621 1 71 PHE QB 2 88 PHE QE 1.800 . 5.000 3.904 3.037 5.014 0.014 20 0 "[ . 1 . 2 ]" 1
1622 1 88 PHE QE 2 71 PHE QB 1.800 . 5.000 3.909 3.105 4.966 . 0 0 "[ . 1 . 2 ]" 1
1623 1 71 PHE QD 2 88 PHE QD 1.800 . 6.000 5.617 4.396 5.977 . 0 0 "[ . 1 . 2 ]" 1
1624 1 88 PHE QD 2 71 PHE QD 1.800 . 6.000 5.619 4.377 5.985 . 0 0 "[ . 1 . 2 ]" 1
1625 1 71 PHE QD 2 88 PHE QE 1.800 . 4.200 3.898 2.877 4.258 0.058 14 0 "[ . 1 . 2 ]" 1
1626 1 88 PHE QE 2 71 PHE QD 1.800 . 4.200 3.900 2.885 4.265 0.065 14 0 "[ . 1 . 2 ]" 1
1627 1 71 PHE QE 2 88 PHE QD 1.800 . 6.000 5.598 4.421 6.016 0.016 4 0 "[ . 1 . 2 ]" 1
1628 1 88 PHE QD 2 71 PHE QE 1.800 . 6.000 5.599 4.458 6.031 0.031 4 0 "[ . 1 . 2 ]" 1
1629 1 12 ILE MG 2 89 PHE H 1.800 . 6.000 4.770 4.300 5.199 . 0 0 "[ . 1 . 2 ]" 1
1630 1 89 PHE H 2 12 ILE MG 1.800 . 6.000 4.774 4.299 5.214 . 0 0 "[ . 1 . 2 ]" 1
1631 1 15 PHE QD 2 89 PHE QE 1.800 . 3.300 2.463 2.327 2.995 . 0 0 "[ . 1 . 2 ]" 1
1632 1 89 PHE QE 2 15 PHE QD 1.800 . 3.300 2.473 2.320 2.972 . 0 0 "[ . 1 . 2 ]" 1
1633 1 71 PHE QE 2 89 PHE QE 1.800 . 4.300 4.329 4.307 4.391 0.091 19 0 "[ . 1 . 2 ]" 1
1634 1 89 PHE QE 2 71 PHE QE 1.800 . 4.300 4.331 4.290 4.378 0.078 19 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 176
_Distance_constraint_stats_list.Viol_count 218
_Distance_constraint_stats_list.Viol_total 1052.352
_Distance_constraint_stats_list.Viol_max 1.584
_Distance_constraint_stats_list.Viol_rms 0.1054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0136
_Distance_constraint_stats_list.Viol_average_violations_only 0.2299
_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 2 SER 19.332 1.584 1 10 "[+ **.* *** -. ** ]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 GLU 19.310 1.584 1 10 "[+ **.* *** -. ** ]"
1 6 LYS 0.061 0.033 18 0 "[ . 1 . 2 ]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 MET 1.789 0.166 13 0 "[ . 1 . 2 ]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 ALA 0.039 0.033 18 0 "[ . 1 . 2 ]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 ILE 1.789 0.166 13 0 "[ . 1 . 2 ]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 VAL 0.067 0.038 6 0 "[ . 1 . 2 ]"
1 15 PHE 0.481 0.066 3 0 "[ . 1 . 2 ]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 TYR 0.067 0.038 6 0 "[ . 1 . 2 ]"
1 19 SER 0.481 0.066 3 0 "[ . 1 . 2 ]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 SER 3.252 0.193 11 0 "[ . 1 . 2 ]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 GLU 3.259 0.193 11 0 "[ . 1 . 2 ]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 ASN 0.006 0.006 9 0 "[ . 1 . 2 ]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 SER 0.085 0.038 7 0 "[ . 1 . 2 ]"
1 80 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 THR 0.085 0.038 7 0 "[ . 1 . 2 ]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 2 SER 19.332 1.583 1 10 "[+ **.* *** -. ** ]"
2 3 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 5 GLU 19.310 1.583 1 10 "[+ **.* *** -. ** ]"
2 6 LYS 0.062 0.034 18 0 "[ . 1 . 2 ]"
2 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 8 MET 1.795 0.166 13 0 "[ . 1 . 2 ]"
2 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 10 ALA 0.039 0.034 18 0 "[ . 1 . 2 ]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 12 ILE 1.795 0.166 13 0 "[ . 1 . 2 ]"
2 13 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 14 VAL 0.068 0.038 6 0 "[ . 1 . 2 ]"
2 15 PHE 0.484 0.066 3 0 "[ . 1 . 2 ]"
2 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 18 TYR 0.068 0.038 6 0 "[ . 1 . 2 ]"
2 19 SER 0.484 0.066 3 0 "[ . 1 . 2 ]"
2 28 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 31 SER 3.248 0.192 11 0 "[ . 1 . 2 ]"
2 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 35 GLU 3.255 0.192 11 0 "[ . 1 . 2 ]"
2 36 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 37 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 38 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 39 ASN 0.007 0.007 9 0 "[ . 1 . 2 ]"
2 51 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 55 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 57 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 58 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 60 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 61 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 69 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 71 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 72 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 73 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 75 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 76 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 78 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 79 SER 0.085 0.037 7 0 "[ . 1 . 2 ]"
2 80 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 81 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 82 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 83 THR 0.085 0.037 7 0 "[ . 1 . 2 ]"
2 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER O 1 6 LYS H 1.500 . 2.800 2.342 2.049 2.581 . 0 0 "[ . 1 . 2 ]" 2
2 2 2 SER O 2 6 LYS H 1.500 . 2.800 2.342 2.050 2.581 . 0 0 "[ . 1 . 2 ]" 2
3 1 2 SER O 1 6 LYS N 2.400 2.400 3.500 3.310 3.030 3.522 0.022 10 0 "[ . 1 . 2 ]" 2
4 2 2 SER O 2 6 LYS N 2.400 2.400 3.500 3.310 3.030 3.523 0.023 10 0 "[ . 1 . 2 ]" 2
5 1 3 GLU O 1 7 ALA H 1.500 . 2.800 2.387 2.183 2.581 . 0 0 "[ . 1 . 2 ]" 2
6 2 3 GLU O 2 7 ALA H 1.500 . 2.800 2.387 2.183 2.581 . 0 0 "[ . 1 . 2 ]" 2
7 1 3 GLU O 1 7 ALA N 2.400 2.400 3.500 3.281 3.085 3.464 . 0 0 "[ . 1 . 2 ]" 2
8 2 3 GLU O 2 7 ALA N 2.400 2.400 3.500 3.281 3.086 3.464 . 0 0 "[ . 1 . 2 ]" 2
9 1 4 LEU O 1 8 MET H 1.500 . 2.800 1.966 1.758 2.127 . 0 0 "[ . 1 . 2 ]" 2
10 2 4 LEU O 2 8 MET H 1.500 . 2.800 1.966 1.760 2.127 . 0 0 "[ . 1 . 2 ]" 2
11 1 4 LEU O 1 8 MET N 2.400 2.400 3.500 2.832 2.695 2.983 . 0 0 "[ . 1 . 2 ]" 2
12 2 4 LEU O 2 8 MET N 2.400 2.400 3.500 2.832 2.697 2.983 . 0 0 "[ . 1 . 2 ]" 2
13 1 5 GLU O 1 9 VAL H 1.500 . 2.800 2.132 1.960 2.260 . 0 0 "[ . 1 . 2 ]" 2
14 2 5 GLU O 2 9 VAL H 1.500 . 2.800 2.132 1.959 2.259 . 0 0 "[ . 1 . 2 ]" 2
15 1 5 GLU O 1 9 VAL N 2.400 2.400 3.500 3.097 2.938 3.212 . 0 0 "[ . 1 . 2 ]" 2
16 2 5 GLU O 2 9 VAL N 2.400 2.400 3.500 3.097 2.938 3.212 . 0 0 "[ . 1 . 2 ]" 2
17 1 6 LYS O 1 10 ALA H 1.500 . 2.800 2.322 2.090 2.662 . 0 0 "[ . 1 . 2 ]" 2
18 2 6 LYS O 2 10 ALA H 1.500 . 2.800 2.322 2.091 2.662 . 0 0 "[ . 1 . 2 ]" 2
19 1 6 LYS O 1 10 ALA N 2.400 2.400 3.500 3.188 2.979 3.533 0.033 18 0 "[ . 1 . 2 ]" 2
20 2 6 LYS O 2 10 ALA N 2.400 2.400 3.500 3.188 2.979 3.534 0.034 18 0 "[ . 1 . 2 ]" 2
21 1 7 ALA O 1 11 LEU H 1.500 . 2.800 2.035 1.879 2.319 . 0 0 "[ . 1 . 2 ]" 2
22 2 7 ALA O 2 11 LEU H 1.500 . 2.800 2.035 1.878 2.319 . 0 0 "[ . 1 . 2 ]" 2
23 1 7 ALA O 1 11 LEU N 2.400 2.400 3.500 3.002 2.843 3.289 . 0 0 "[ . 1 . 2 ]" 2
24 2 7 ALA O 2 11 LEU N 2.400 2.400 3.500 3.003 2.842 3.290 . 0 0 "[ . 1 . 2 ]" 2
25 1 8 MET O 1 12 ILE H 1.500 . 2.800 2.647 2.508 2.761 . 0 0 "[ . 1 . 2 ]" 2
26 2 8 MET O 2 12 ILE H 1.500 . 2.800 2.647 2.508 2.760 . 0 0 "[ . 1 . 2 ]" 2
27 1 8 MET O 1 12 ILE N 2.400 2.400 3.500 3.584 3.488 3.666 0.166 13 0 "[ . 1 . 2 ]" 2
28 2 8 MET O 2 12 ILE N 2.400 2.400 3.500 3.585 3.488 3.666 0.166 13 0 "[ . 1 . 2 ]" 2
29 1 9 VAL O 1 13 ASP H 1.500 . 2.800 2.174 1.917 2.401 . 0 0 "[ . 1 . 2 ]" 2
30 2 9 VAL O 2 13 ASP H 1.500 . 2.800 2.174 1.916 2.401 . 0 0 "[ . 1 . 2 ]" 2
31 1 9 VAL O 1 13 ASP N 2.400 2.400 3.500 3.097 2.873 3.294 . 0 0 "[ . 1 . 2 ]" 2
32 2 9 VAL O 2 13 ASP N 2.400 2.400 3.500 3.097 2.871 3.294 . 0 0 "[ . 1 . 2 ]" 2
33 1 10 ALA O 1 14 VAL H 1.500 . 2.800 2.072 1.875 2.247 . 0 0 "[ . 1 . 2 ]" 2
34 2 10 ALA O 2 14 VAL H 1.500 . 2.800 2.072 1.876 2.246 . 0 0 "[ . 1 . 2 ]" 2
35 1 10 ALA O 1 14 VAL N 2.400 2.400 3.500 2.999 2.829 3.145 . 0 0 "[ . 1 . 2 ]" 2
36 2 10 ALA O 2 14 VAL N 2.400 2.400 3.500 2.999 2.829 3.144 . 0 0 "[ . 1 . 2 ]" 2
37 1 11 LEU O 1 15 PHE H 1.500 . 2.800 1.940 1.815 2.179 . 0 0 "[ . 1 . 2 ]" 2
38 2 11 LEU O 2 15 PHE H 1.500 . 2.800 1.940 1.815 2.179 . 0 0 "[ . 1 . 2 ]" 2
39 1 11 LEU O 1 15 PHE N 2.400 2.400 3.500 2.896 2.759 3.126 . 0 0 "[ . 1 . 2 ]" 2
40 2 11 LEU O 2 15 PHE N 2.400 2.400 3.500 2.896 2.760 3.125 . 0 0 "[ . 1 . 2 ]" 2
41 1 12 ILE O 1 16 HIS H 1.500 . 2.800 2.132 1.736 2.574 . 0 0 "[ . 1 . 2 ]" 2
42 2 12 ILE O 2 16 HIS H 1.500 . 2.800 2.132 1.735 2.574 . 0 0 "[ . 1 . 2 ]" 2
43 1 12 ILE O 1 16 HIS N 2.400 2.400 3.500 3.019 2.671 3.435 . 0 0 "[ . 1 . 2 ]" 2
44 2 12 ILE O 2 16 HIS N 2.400 2.400 3.500 3.019 2.671 3.434 . 0 0 "[ . 1 . 2 ]" 2
45 1 13 ASP O 1 17 GLN H 1.500 . 2.800 2.210 1.939 2.406 . 0 0 "[ . 1 . 2 ]" 2
46 2 13 ASP O 2 17 GLN H 1.500 . 2.800 2.210 1.939 2.406 . 0 0 "[ . 1 . 2 ]" 2
47 1 13 ASP O 1 17 GLN N 2.400 2.400 3.500 3.018 2.768 3.197 . 0 0 "[ . 1 . 2 ]" 2
48 2 13 ASP O 2 17 GLN N 2.400 2.400 3.500 3.018 2.769 3.197 . 0 0 "[ . 1 . 2 ]" 2
49 1 14 VAL O 1 18 TYR H 1.500 . 2.800 2.527 2.452 2.613 . 0 0 "[ . 1 . 2 ]" 2
50 2 14 VAL O 2 18 TYR H 1.500 . 2.800 2.527 2.452 2.613 . 0 0 "[ . 1 . 2 ]" 2
51 1 14 VAL O 1 18 TYR N 2.400 2.400 3.500 3.454 3.379 3.538 0.038 6 0 "[ . 1 . 2 ]" 2
52 2 14 VAL O 2 18 TYR N 2.400 2.400 3.500 3.454 3.379 3.538 0.038 6 0 "[ . 1 . 2 ]" 2
53 1 15 PHE O 1 19 SER H 1.500 . 2.800 2.559 2.422 2.617 . 0 0 "[ . 1 . 2 ]" 2
54 2 15 PHE O 2 19 SER H 1.500 . 2.800 2.559 2.422 2.616 . 0 0 "[ . 1 . 2 ]" 2
55 1 15 PHE O 1 19 SER N 2.400 2.400 3.500 3.515 3.379 3.566 0.066 3 0 "[ . 1 . 2 ]" 2
56 2 15 PHE O 2 19 SER N 2.400 2.400 3.500 3.515 3.380 3.566 0.066 3 0 "[ . 1 . 2 ]" 2
57 1 28 LEU O 1 69 CYS H 1.500 . 2.800 1.764 1.659 1.868 . 0 0 "[ . 1 . 2 ]" 2
58 2 28 LEU O 2 69 CYS H 1.500 . 2.800 1.764 1.660 1.868 . 0 0 "[ . 1 . 2 ]" 2
59 1 28 LEU O 1 69 CYS N 2.400 2.400 3.500 2.563 2.418 2.689 . 0 0 "[ . 1 . 2 ]" 2
60 2 28 LEU O 2 69 CYS N 2.400 2.400 3.500 2.564 2.418 2.688 . 0 0 "[ . 1 . 2 ]" 2
61 1 28 LEU H 1 69 CYS O 1.500 . 2.800 1.736 1.571 2.008 . 0 0 "[ . 1 . 2 ]" 2
62 2 28 LEU H 2 69 CYS O 1.500 . 2.800 1.736 1.570 2.008 . 0 0 "[ . 1 . 2 ]" 2
63 1 28 LEU N 1 69 CYS O 2.400 2.400 3.500 2.645 2.477 2.883 . 0 0 "[ . 1 . 2 ]" 2
64 2 28 LEU N 2 69 CYS O 2.400 2.400 3.500 2.645 2.477 2.883 . 0 0 "[ . 1 . 2 ]" 2
65 1 29 LYS O 1 33 LEU H 1.500 . 2.800 1.981 1.640 2.143 . 0 0 "[ . 1 . 2 ]" 2
66 2 29 LYS O 2 33 LEU H 1.500 . 2.800 1.982 1.640 2.142 . 0 0 "[ . 1 . 2 ]" 2
67 1 29 LYS O 1 33 LEU N 2.400 2.400 3.500 2.916 2.598 3.068 . 0 0 "[ . 1 . 2 ]" 2
68 2 29 LYS O 2 33 LEU N 2.400 2.400 3.500 2.916 2.596 3.068 . 0 0 "[ . 1 . 2 ]" 2
69 1 30 LYS O 1 34 LYS H 1.500 . 2.800 1.892 1.719 1.986 . 0 0 "[ . 1 . 2 ]" 2
70 2 30 LYS O 2 34 LYS H 1.500 . 2.800 1.892 1.721 1.985 . 0 0 "[ . 1 . 2 ]" 2
71 1 30 LYS O 1 34 LYS N 2.400 2.400 3.500 2.850 2.689 2.935 . 0 0 "[ . 1 . 2 ]" 2
72 2 30 LYS O 2 34 LYS N 2.400 2.400 3.500 2.850 2.690 2.934 . 0 0 "[ . 1 . 2 ]" 2
73 1 31 SER O 1 35 GLU H 1.500 . 2.800 2.674 2.625 2.715 . 0 0 "[ . 1 . 2 ]" 2
74 2 31 SER O 2 35 GLU H 1.500 . 2.800 2.674 2.625 2.715 . 0 0 "[ . 1 . 2 ]" 2
75 1 31 SER O 1 35 GLU N 2.400 2.400 3.500 3.655 3.604 3.693 0.193 11 0 "[ . 1 . 2 ]" 2
76 2 31 SER O 2 35 GLU N 2.400 2.400 3.500 3.655 3.604 3.692 0.192 11 0 "[ . 1 . 2 ]" 2
77 1 32 GLU O 1 36 LEU H 1.500 . 2.800 2.315 2.075 2.578 . 0 0 "[ . 1 . 2 ]" 2
78 2 32 GLU O 2 36 LEU H 1.500 . 2.800 2.315 2.075 2.578 . 0 0 "[ . 1 . 2 ]" 2
79 1 32 GLU O 1 36 LEU N 2.400 2.400 3.500 3.191 2.981 3.422 . 0 0 "[ . 1 . 2 ]" 2
80 2 32 GLU O 2 36 LEU N 2.400 2.400 3.500 3.191 2.983 3.422 . 0 0 "[ . 1 . 2 ]" 2
81 1 33 LEU O 1 37 ILE H 1.500 . 2.800 2.048 1.759 2.250 . 0 0 "[ . 1 . 2 ]" 2
82 2 33 LEU O 2 37 ILE H 1.500 . 2.800 2.048 1.760 2.249 . 0 0 "[ . 1 . 2 ]" 2
83 1 33 LEU O 1 37 ILE N 2.400 2.400 3.500 2.951 2.658 3.160 . 0 0 "[ . 1 . 2 ]" 2
84 2 33 LEU O 2 37 ILE N 2.400 2.400 3.500 2.951 2.659 3.161 . 0 0 "[ . 1 . 2 ]" 2
85 1 34 LYS O 1 38 ASN H 1.500 . 2.800 2.210 2.076 2.352 . 0 0 "[ . 1 . 2 ]" 2
86 2 34 LYS O 2 38 ASN H 1.500 . 2.800 2.210 2.076 2.352 . 0 0 "[ . 1 . 2 ]" 2
87 1 34 LYS O 1 38 ASN N 2.400 2.400 3.500 3.125 2.995 3.250 . 0 0 "[ . 1 . 2 ]" 2
88 2 34 LYS O 2 38 ASN N 2.400 2.400 3.500 3.125 2.995 3.251 . 0 0 "[ . 1 . 2 ]" 2
89 1 35 GLU O 1 39 ASN H 1.500 . 2.800 2.581 2.408 2.738 . 0 0 "[ . 1 . 2 ]" 2
90 2 35 GLU O 2 39 ASN H 1.500 . 2.800 2.581 2.409 2.738 . 0 0 "[ . 1 . 2 ]" 2
91 1 35 GLU O 1 39 ASN N 2.400 2.400 3.500 3.441 3.336 3.506 0.006 9 0 "[ . 1 . 2 ]" 2
92 2 35 GLU O 2 39 ASN N 2.400 2.400 3.500 3.441 3.336 3.507 0.007 9 0 "[ . 1 . 2 ]" 2
93 1 51 GLN O 1 55 ASP H 1.500 . 2.800 2.151 2.014 2.343 . 0 0 "[ . 1 . 2 ]" 2
94 2 51 GLN O 2 55 ASP H 1.500 . 2.800 2.151 2.014 2.343 . 0 0 "[ . 1 . 2 ]" 2
95 1 51 GLN O 1 55 ASP N 2.400 2.400 3.500 3.020 2.857 3.217 . 0 0 "[ . 1 . 2 ]" 2
96 2 51 GLN O 2 55 ASP N 2.400 2.400 3.500 3.020 2.857 3.219 . 0 0 "[ . 1 . 2 ]" 2
97 1 52 GLU O 1 56 LYS H 1.500 . 2.800 2.358 2.198 2.532 . 0 0 "[ . 1 . 2 ]" 2
98 2 52 GLU O 2 56 LYS H 1.500 . 2.800 2.358 2.198 2.531 . 0 0 "[ . 1 . 2 ]" 2
99 1 52 GLU O 1 56 LYS N 2.400 2.400 3.500 3.279 3.152 3.416 . 0 0 "[ . 1 . 2 ]" 2
100 2 52 GLU O 2 56 LYS N 2.400 2.400 3.500 3.279 3.152 3.416 . 0 0 "[ . 1 . 2 ]" 2
101 1 53 VAL O 1 57 VAL H 1.500 . 2.800 2.399 2.307 2.568 . 0 0 "[ . 1 . 2 ]" 2
102 2 53 VAL O 2 57 VAL H 1.500 . 2.800 2.399 2.307 2.568 . 0 0 "[ . 1 . 2 ]" 2
103 1 53 VAL O 1 57 VAL N 2.400 2.400 3.500 3.235 3.150 3.403 . 0 0 "[ . 1 . 2 ]" 2
104 2 53 VAL O 2 57 VAL N 2.400 2.400 3.500 3.235 3.150 3.403 . 0 0 "[ . 1 . 2 ]" 2
105 1 54 VAL O 1 58 MET H 1.500 . 2.800 2.201 2.101 2.327 . 0 0 "[ . 1 . 2 ]" 2
106 2 54 VAL O 2 58 MET H 1.500 . 2.800 2.201 2.101 2.327 . 0 0 "[ . 1 . 2 ]" 2
107 1 54 VAL O 1 58 MET N 2.400 2.400 3.500 3.166 3.068 3.282 . 0 0 "[ . 1 . 2 ]" 2
108 2 54 VAL O 2 58 MET N 2.400 2.400 3.500 3.166 3.068 3.282 . 0 0 "[ . 1 . 2 ]" 2
109 1 55 ASP O 1 59 GLU H 1.500 . 2.800 2.508 2.381 2.682 . 0 0 "[ . 1 . 2 ]" 2
110 2 55 ASP O 2 59 GLU H 1.500 . 2.800 2.508 2.381 2.682 . 0 0 "[ . 1 . 2 ]" 2
111 1 55 ASP O 1 59 GLU N 2.400 2.400 3.500 3.293 3.196 3.445 . 0 0 "[ . 1 . 2 ]" 2
112 2 55 ASP O 2 59 GLU N 2.400 2.400 3.500 3.293 3.196 3.445 . 0 0 "[ . 1 . 2 ]" 2
113 1 56 LYS O 1 60 THR H 1.500 . 2.800 1.757 1.516 1.928 . 0 0 "[ . 1 . 2 ]" 2
114 2 56 LYS O 2 60 THR H 1.500 . 2.800 1.757 1.516 1.928 . 0 0 "[ . 1 . 2 ]" 2
115 1 56 LYS O 1 60 THR N 2.400 2.400 3.500 2.638 2.437 2.795 . 0 0 "[ . 1 . 2 ]" 2
116 2 56 LYS O 2 60 THR N 2.400 2.400 3.500 2.638 2.437 2.795 . 0 0 "[ . 1 . 2 ]" 2
117 1 57 VAL O 1 61 LEU H 1.500 . 2.800 1.809 1.591 1.973 . 0 0 "[ . 1 . 2 ]" 2
118 2 57 VAL O 2 61 LEU H 1.500 . 2.800 1.809 1.591 1.973 . 0 0 "[ . 1 . 2 ]" 2
119 1 57 VAL O 1 61 LEU N 2.400 2.400 3.500 2.782 2.570 2.940 . 0 0 "[ . 1 . 2 ]" 2
120 2 57 VAL O 2 61 LEU N 2.400 2.400 3.500 2.782 2.570 2.941 . 0 0 "[ . 1 . 2 ]" 2
121 1 58 MET O 1 62 ASP H 1.500 . 2.800 2.297 2.188 2.407 . 0 0 "[ . 1 . 2 ]" 2
122 2 58 MET O 2 62 ASP H 1.500 . 2.800 2.297 2.188 2.408 . 0 0 "[ . 1 . 2 ]" 2
123 1 58 MET O 1 62 ASP N 2.400 2.400 3.500 3.204 3.070 3.310 . 0 0 "[ . 1 . 2 ]" 2
124 2 58 MET O 2 62 ASP N 2.400 2.400 3.500 3.204 3.069 3.311 . 0 0 "[ . 1 . 2 ]" 2
125 1 59 GLU O 1 63 GLU H 1.500 . 2.800 2.285 2.142 2.444 . 0 0 "[ . 1 . 2 ]" 2
126 2 59 GLU O 2 63 GLU H 1.500 . 2.800 2.286 2.142 2.444 . 0 0 "[ . 1 . 2 ]" 2
127 1 59 GLU O 1 63 GLU N 2.400 2.400 3.500 2.915 2.808 3.040 . 0 0 "[ . 1 . 2 ]" 2
128 2 59 GLU O 2 63 GLU N 2.400 2.400 3.500 2.918 2.811 3.040 . 0 0 "[ . 1 . 2 ]" 2
129 1 71 PHE O 1 75 MET H 1.500 . 2.800 2.104 1.969 2.399 . 0 0 "[ . 1 . 2 ]" 2
130 2 71 PHE O 2 75 MET H 1.500 . 2.800 2.104 1.968 2.399 . 0 0 "[ . 1 . 2 ]" 2
131 1 71 PHE O 1 75 MET N 2.400 2.400 3.500 3.025 2.890 3.305 . 0 0 "[ . 1 . 2 ]" 2
132 2 71 PHE O 2 75 MET N 2.400 2.400 3.500 3.025 2.891 3.305 . 0 0 "[ . 1 . 2 ]" 2
133 1 72 GLN O 1 76 ALA H 1.500 . 2.800 2.314 2.149 2.551 . 0 0 "[ . 1 . 2 ]" 2
134 2 72 GLN O 2 76 ALA H 1.500 . 2.800 2.314 2.149 2.551 . 0 0 "[ . 1 . 2 ]" 2
135 1 72 GLN O 1 76 ALA N 2.400 2.400 3.500 3.252 3.072 3.391 . 0 0 "[ . 1 . 2 ]" 2
136 2 72 GLN O 2 76 ALA N 2.400 2.400 3.500 3.252 3.072 3.392 . 0 0 "[ . 1 . 2 ]" 2
137 1 73 GLU O 1 77 PHE H 1.500 . 2.800 2.151 2.011 2.351 . 0 0 "[ . 1 . 2 ]" 2
138 2 73 GLU O 2 77 PHE H 1.500 . 2.800 2.151 2.011 2.351 . 0 0 "[ . 1 . 2 ]" 2
139 1 73 GLU O 1 77 PHE N 2.400 2.400 3.500 3.084 2.957 3.272 . 0 0 "[ . 1 . 2 ]" 2
140 2 73 GLU O 2 77 PHE N 2.400 2.400 3.500 3.084 2.957 3.274 . 0 0 "[ . 1 . 2 ]" 2
141 1 74 PHE O 1 78 VAL H 1.500 . 2.800 2.073 1.868 2.244 . 0 0 "[ . 1 . 2 ]" 2
142 2 74 PHE O 2 78 VAL H 1.500 . 2.800 2.074 1.867 2.245 . 0 0 "[ . 1 . 2 ]" 2
143 1 74 PHE O 1 78 VAL N 2.400 2.400 3.500 2.943 2.773 3.106 . 0 0 "[ . 1 . 2 ]" 2
144 2 74 PHE O 2 78 VAL N 2.400 2.400 3.500 2.943 2.772 3.106 . 0 0 "[ . 1 . 2 ]" 2
145 1 75 MET O 1 79 SER H 1.500 . 2.800 2.186 1.784 2.644 . 0 0 "[ . 1 . 2 ]" 2
146 2 75 MET O 2 79 SER H 1.500 . 2.800 2.186 1.783 2.644 . 0 0 "[ . 1 . 2 ]" 2
147 1 75 MET O 1 79 SER N 2.400 2.400 3.500 3.037 2.654 3.439 . 0 0 "[ . 1 . 2 ]" 2
148 2 75 MET O 2 79 SER N 2.400 2.400 3.500 3.037 2.653 3.438 . 0 0 "[ . 1 . 2 ]" 2
149 1 76 ALA O 1 80 MET H 1.500 . 2.800 2.188 1.965 2.314 . 0 0 "[ . 1 . 2 ]" 2
150 2 76 ALA O 2 80 MET H 1.500 . 2.800 2.187 1.965 2.313 . 0 0 "[ . 1 . 2 ]" 2
151 1 76 ALA O 1 80 MET N 2.400 2.400 3.500 3.154 2.939 3.288 . 0 0 "[ . 1 . 2 ]" 2
152 2 76 ALA O 2 80 MET N 2.400 2.400 3.500 3.154 2.939 3.288 . 0 0 "[ . 1 . 2 ]" 2
153 1 77 PHE O 1 81 VAL H 1.500 . 2.800 2.386 2.227 2.523 . 0 0 "[ . 1 . 2 ]" 2
154 2 77 PHE O 2 81 VAL H 1.500 . 2.800 2.386 2.228 2.523 . 0 0 "[ . 1 . 2 ]" 2
155 1 77 PHE O 1 81 VAL N 2.400 2.400 3.500 3.328 3.179 3.464 . 0 0 "[ . 1 . 2 ]" 2
156 2 77 PHE O 2 81 VAL N 2.400 2.400 3.500 3.328 3.179 3.464 . 0 0 "[ . 1 . 2 ]" 2
157 1 78 VAL O 1 82 THR H 1.500 . 2.800 2.184 1.970 2.324 . 0 0 "[ . 1 . 2 ]" 2
158 2 78 VAL O 2 82 THR H 1.500 . 2.800 2.184 1.969 2.324 . 0 0 "[ . 1 . 2 ]" 2
159 1 78 VAL O 1 82 THR N 2.400 2.400 3.500 3.125 2.928 3.251 . 0 0 "[ . 1 . 2 ]" 2
160 2 78 VAL O 2 82 THR N 2.400 2.400 3.500 3.126 2.928 3.251 . 0 0 "[ . 1 . 2 ]" 2
161 1 79 SER O 1 83 THR H 1.500 . 2.800 1.616 1.462 1.781 0.038 7 0 "[ . 1 . 2 ]" 2
162 2 79 SER O 2 83 THR H 1.500 . 2.800 1.616 1.463 1.781 0.037 7 0 "[ . 1 . 2 ]" 2
163 1 79 SER O 1 83 THR N 2.400 2.400 3.500 2.577 2.410 2.760 . 0 0 "[ . 1 . 2 ]" 2
164 2 79 SER O 2 83 THR N 2.400 2.400 3.500 2.576 2.409 2.761 . 0 0 "[ . 1 . 2 ]" 2
165 1 80 MET O 1 84 ALA H 1.500 . 2.800 2.078 1.650 2.541 . 0 0 "[ . 1 . 2 ]" 2
166 2 80 MET O 2 84 ALA H 1.500 . 2.800 2.078 1.649 2.541 . 0 0 "[ . 1 . 2 ]" 2
167 1 80 MET O 1 84 ALA N 2.400 2.400 3.500 2.756 2.405 3.212 . 0 0 "[ . 1 . 2 ]" 2
168 2 80 MET O 2 84 ALA N 2.400 2.400 3.500 2.756 2.405 3.211 . 0 0 "[ . 1 . 2 ]" 2
169 1 2 SER OG 1 5 GLU H 1.500 . 2.800 2.499 2.193 2.616 . 0 0 "[ . 1 . 2 ]" 2
170 2 2 SER OG 2 5 GLU H 1.500 . 2.800 2.500 2.196 2.617 . 0 0 "[ . 1 . 2 ]" 2
171 1 2 SER OG 1 5 GLU N 2.400 2.400 3.500 3.461 3.173 3.555 0.055 13 0 "[ . 1 . 2 ]" 2
172 2 2 SER OG 2 5 GLU N 2.400 2.400 3.500 3.462 3.176 3.557 0.057 13 0 "[ . 1 . 2 ]" 2
173 1 2 SER H 1 5 GLU OE1 1.500 . 2.800 2.923 1.524 4.384 1.584 1 10 "[+ **.* *** -. ** ]" 2
174 2 2 SER H 2 5 GLU OE1 1.500 . 2.800 2.923 1.524 4.383 1.583 1 10 "[+ **.* *** -. ** ]" 2
175 1 2 SER N 1 5 GLU OE1 2.400 2.400 3.500 3.666 2.418 4.923 1.423 1 10 "[+ **.* *** -. ** ]" 2
176 2 2 SER N 2 5 GLU OE1 2.400 2.400 3.500 3.665 2.418 4.921 1.421 1 10 "[+ **.* *** -. ** ]" 2
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