NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571080 |
2mda   |
19482 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mda
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 10
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.166
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0083
_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 10 PHE 0.000 0.000 . 0 "[ . 1]"
1 11 GLU 0.000 0.000 . 0 "[ . 1]"
1 17 ALA 0.000 0.000 . 0 "[ . 1]"
1 23 PHE 0.009 0.009 6 0 "[ . 1]"
1 35 ARG 0.000 0.000 . 0 "[ . 1]"
1 37 VAL 0.000 0.000 . 0 "[ . 1]"
1 38 LYS 0.000 0.000 . 0 "[ . 1]"
1 39 VAL 0.000 0.000 . 0 "[ . 1]"
1 51 GLU 0.000 0.000 . 0 "[ . 1]"
1 68 PHE 0.009 0.009 6 0 "[ . 1]"
1 69 VAL 0.009 0.009 6 0 "[ . 1]"
1 86 ARG 0.000 0.000 . 0 "[ . 1]"
1 88 VAL 0.000 0.000 . 0 "[ . 1]"
2 10 PHE 0.000 0.000 . 0 "[ . 1]"
2 11 GLU 0.000 0.000 . 0 "[ . 1]"
2 17 ALA 0.000 0.000 . 0 "[ . 1]"
2 23 PHE 0.008 0.008 6 0 "[ . 1]"
2 35 ARG 0.000 0.000 . 0 "[ . 1]"
2 37 VAL 0.000 0.000 . 0 "[ . 1]"
2 38 LYS 0.000 0.000 . 0 "[ . 1]"
2 39 VAL 0.000 0.000 . 0 "[ . 1]"
2 51 GLU 0.000 0.000 . 0 "[ . 1]"
2 68 PHE 0.008 0.008 6 0 "[ . 1]"
2 69 VAL 0.008 0.008 6 0 "[ . 1]"
2 86 ARG 0.000 0.000 . 0 "[ . 1]"
2 88 VAL 0.000 0.000 . 0 "[ . 1]"
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 35 ARG HA 1 37 VAL QG 3.161 . 4.410 3.597 3.263 3.874 . 0 0 "[ . 1]" 1
2 2 35 ARG HA 2 37 VAL QG 3.161 . 4.410 3.598 3.264 3.877 . 0 0 "[ . 1]" 1
3 1 10 PHE HA 1 11 GLU HG2 4.735 . 7.537 4.219 3.928 5.051 . 0 0 "[ . 1]" 1
4 2 10 PHE HA 2 11 GLU HG2 4.735 . 7.537 4.219 3.927 5.051 . 0 0 "[ . 1]" 1
5 1 51 GLU H 1 68 PHE H 3.475 . 4.984 3.935 3.550 4.101 . 0 0 "[ . 1]" 1
6 2 51 GLU H 2 68 PHE H 3.475 . 4.984 3.934 3.546 4.100 . 0 0 "[ . 1]" 1
7 1 23 PHE H 1 68 PHE H 3.548 . 5.122 5.027 4.954 5.131 0.009 6 0 "[ . 1]" 1
8 2 23 PHE H 2 68 PHE H 3.548 . 5.122 5.026 4.953 5.130 0.008 6 0 "[ . 1]" 1
9 1 38 LYS H 1 39 VAL MG1 3.476 . 4.986 4.748 4.691 4.783 . 0 0 "[ . 1]" 1
10 2 38 LYS H 2 39 VAL MG1 3.476 . 4.986 4.748 4.692 4.784 . 0 0 "[ . 1]" 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 15
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 20.834
_Distance_constraint_stats_list.Viol_max 0.383
_Distance_constraint_stats_list.Viol_rms 0.0657
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0139
_Distance_constraint_stats_list.Viol_average_violations_only 0.2315
_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 33 LEU 0.000 0.000 . 0 "[ . 1]"
1 34 SER 0.000 0.000 . 0 "[ . 1]"
1 35 ARG 0.000 0.000 . 0 "[ . 1]"
1 37 VAL 0.000 0.000 . 0 "[ . 1]"
1 38 LYS 0.000 0.000 . 0 "[ . 1]"
1 50 LEU 1.026 0.373 10 0 "[ . 1]"
1 52 THR 1.057 0.383 10 0 "[ . 1]"
2 34 SER 0.000 0.000 . 0 "[ . 1]"
2 35 ARG 0.000 0.000 . 0 "[ . 1]"
2 37 VAL 0.000 0.000 . 0 "[ . 1]"
2 38 LYS 0.000 0.000 . 0 "[ . 1]"
2 50 LEU 1.057 0.383 10 0 "[ . 1]"
2 52 THR 1.026 0.373 10 0 "[ . 1]"
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 33 LEU H 2 37 VAL QG 4.000 . 5.000 4.072 3.070 4.605 . 0 0 "[ . 1]" 2
2 1 35 ARG H 2 37 VAL QG 4.000 . 5.000 4.607 4.468 4.716 . 0 0 "[ . 1]" 2
3 1 37 VAL QG 2 35 ARG H 4.000 . 5.000 4.618 4.494 4.732 . 0 0 "[ . 1]" 2
4 1 34 SER H 2 37 VAL QG 4.000 . 5.000 3.098 2.874 3.361 . 0 0 "[ . 1]" 2
5 1 37 VAL QG 2 34 SER H 4.000 . 5.000 3.115 2.854 3.399 . 0 0 "[ . 1]" 2
6 1 38 LYS H 2 34 SER HB3 4.000 . 5.000 3.991 3.715 4.287 . 0 0 "[ . 1]" 2
7 1 34 SER HB3 2 38 LYS H 4.000 . 5.000 3.987 3.728 4.286 . 0 0 "[ . 1]" 2
8 1 50 LEU H 2 52 THR MG 4.000 . 5.000 2.543 1.611 3.735 0.373 10 0 "[ . 1]" 2
9 1 52 THR MG 2 50 LEU H 4.000 . 5.000 2.532 1.601 3.721 0.383 10 0 "[ . 1]" 2
10 1 52 THR H 2 50 LEU HA 4.000 . 5.000 4.861 4.656 5.017 0.017 9 0 "[ . 1]" 2
11 1 50 LEU HA 2 52 THR H 4.000 . 5.000 4.867 4.670 5.013 0.013 9 0 "[ . 1]" 2
12 1 52 THR H 2 50 LEU MD1 4.000 . 5.000 2.679 2.186 3.191 . 0 0 "[ . 1]" 2
13 1 50 LEU MD1 2 52 THR H 4.000 . 5.000 2.676 2.190 3.166 . 0 0 "[ . 1]" 2
14 1 52 THR H 2 50 LEU HB3 4.000 . 5.000 3.325 2.921 3.547 . 0 0 "[ . 1]" 2
15 1 50 LEU HB3 2 52 THR H 4.000 . 5.000 3.328 2.969 3.548 . 0 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1632
_Distance_constraint_stats_list.Viol_count 1530
_Distance_constraint_stats_list.Viol_total 2076.621
_Distance_constraint_stats_list.Viol_max 2.077
_Distance_constraint_stats_list.Viol_rms 0.0662
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0127
_Distance_constraint_stats_list.Viol_average_violations_only 0.1357
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASN 1.240 0.186 9 0 "[ . 1]"
1 4 PRO 1.734 0.186 9 0 "[ . 1]"
1 5 LEU 2.554 0.371 9 0 "[ . 1]"
1 6 GLU 7.003 0.900 5 3 "[ * + - 1]"
1 7 ALA 1.776 0.486 9 0 "[ . 1]"
1 8 VAL 2.720 1.227 9 1 "[ . +1]"
1 9 VAL 3.467 1.140 9 1 "[ . +1]"
1 10 PHE 1.164 0.378 9 0 "[ . 1]"
1 11 GLU 5.845 1.076 2 4 "[ +* .* - 1]"
1 12 GLU 9.545 0.901 6 3 "[ .+*- 1]"
1 13 ARG 3.390 0.214 5 0 "[ . 1]"
1 14 ASP 0.044 0.024 8 0 "[ . 1]"
1 15 GLY 2.841 0.324 6 0 "[ . 1]"
1 16 ASN 6.502 0.324 6 0 "[ . 1]"
1 17 ALA 2.000 0.715 3 1 "[ + . 1]"
1 18 VAL 1.680 1.076 2 1 "[ + . 1]"
1 19 LEU 1.607 0.862 2 1 "[ + . 1]"
1 20 ASN 0.838 0.208 2 0 "[ . 1]"
1 21 LEU 0.947 0.133 5 0 "[ . 1]"
1 22 LEU 5.564 0.578 4 1 "[ +. 1]"
1 23 PHE 7.968 0.678 5 3 "[ *+ -1]"
1 24 SER 3.614 0.678 5 3 "[ *+ -1]"
1 25 LEU 2.696 0.409 10 0 "[ . 1]"
1 26 ARG 0.961 0.536 5 1 "[ + 1]"
1 27 GLY 0.000 0.000 . 0 "[ . 1]"
1 28 THR 0.000 0.000 . 0 "[ . 1]"
1 31 SER 0.160 0.059 8 0 "[ . 1]"
1 32 SER 0.000 0.000 . 0 "[ . 1]"
1 33 LEU 0.160 0.059 8 0 "[ . 1]"
1 34 SER 1.803 0.359 3 0 "[ . 1]"
1 35 ARG 0.405 0.147 3 0 "[ . 1]"
1 36 ALA 0.000 0.000 . 0 "[ . 1]"
1 37 VAL 4.418 0.354 3 0 "[ . 1]"
1 38 LYS 0.872 0.345 5 0 "[ . 1]"
1 39 VAL 2.068 0.235 7 0 "[ . 1]"
1 40 PHE 0.210 0.043 3 0 "[ . 1]"
1 41 GLU 0.682 0.345 5 0 "[ . 1]"
1 42 THR 1.325 0.250 10 0 "[ . 1]"
1 43 PHE 1.330 0.250 10 0 "[ . 1]"
1 44 GLU 2.934 0.355 1 0 "[ . 1]"
1 45 ALA 2.934 0.355 1 0 "[ . 1]"
1 46 LYS 0.000 0.000 . 0 "[ . 1]"
1 47 ILE 1.357 0.109 8 0 "[ . 1]"
1 48 HIS 1.177 0.127 2 0 "[ . 1]"
1 49 HIS 0.833 0.127 2 0 "[ . 1]"
1 50 LEU 0.000 0.000 . 0 "[ . 1]"
1 51 GLU 0.235 0.170 2 0 "[ . 1]"
1 52 THR 1.770 0.704 2 1 "[ + . 1]"
1 53 ARG 1.625 0.704 2 1 "[ + . 1]"
1 54 PRO 1.042 0.189 10 0 "[ . 1]"
1 55 ALA 3.560 0.887 10 2 "[- . +]"
1 56 GLN 7.189 0.854 2 2 "[ + . -1]"
1 57 ARG 9.046 1.375 10 4 "[** - +]"
1 58 PRO 0.848 0.190 10 0 "[ . 1]"
1 59 LEU 2.452 0.442 4 0 "[ . 1]"
1 60 ALA 2.529 1.375 10 1 "[ . +]"
1 61 GLY 1.467 0.436 7 0 "[ . 1]"
1 62 SER 1.660 0.436 7 0 "[ . 1]"
1 63 PRO 0.000 0.000 . 0 "[ . 1]"
1 64 HIS 0.457 0.311 10 0 "[ . 1]"
1 65 LEU 0.662 0.311 10 0 "[ . 1]"
1 66 GLU 5.201 0.841 2 3 "[-+* . 1]"
1 67 TYR 4.770 0.841 2 3 "[-+* . 1]"
1 68 PHE 1.660 0.148 9 0 "[ . 1]"
1 69 VAL 0.291 0.082 5 0 "[ . 1]"
1 70 ARG 0.000 0.000 . 0 "[ . 1]"
1 71 PHE 0.743 0.109 2 0 "[ . 1]"
1 72 GLU 0.459 0.115 6 0 "[ . 1]"
1 73 VAL 0.613 0.112 8 0 "[ . 1]"
1 74 PRO 0.000 0.000 . 0 "[ . 1]"
1 75 SER 0.472 0.136 8 0 "[ . 1]"
1 76 GLY 0.141 0.020 7 0 "[ . 1]"
1 77 ASP 1.849 0.219 2 0 "[ . 1]"
1 78 LEU 1.807 0.219 2 0 "[ . 1]"
1 79 ALA 0.071 0.022 7 0 "[ . 1]"
1 80 ALA 0.733 0.091 8 0 "[ . 1]"
1 81 LEU 0.976 0.091 8 0 "[ . 1]"
1 82 LEU 0.000 0.000 . 0 "[ . 1]"
1 83 SER 2.005 0.143 8 0 "[ . 1]"
1 84 SER 3.689 0.235 7 0 "[ . 1]"
1 85 VAL 0.695 0.136 7 0 "[ . 1]"
1 86 ARG 0.000 0.000 . 0 "[ . 1]"
1 87 ARG 0.636 0.078 4 0 "[ . 1]"
1 88 VAL 0.000 0.000 . 0 "[ . 1]"
1 89 SER 0.356 0.076 4 0 "[ . 1]"
1 90 ASP 1.488 0.225 5 0 "[ . 1]"
1 91 ASP 1.756 0.417 8 0 "[ . 1]"
1 92 VAL 6.208 0.583 9 1 "[ . +1]"
1 93 ARG 6.586 0.578 4 1 "[ +. 1]"
1 94 SER 4.413 1.227 9 1 "[ . +1]"
1 95 ALA 1.422 0.124 4 0 "[ . 1]"
2 3 ASN 1.247 0.189 9 0 "[ . 1]"
2 4 PRO 1.739 0.189 9 0 "[ . 1]"
2 5 LEU 2.551 0.371 9 0 "[ . 1]"
2 6 GLU 7.005 0.902 5 3 "[ * + - 1]"
2 7 ALA 1.773 0.486 9 0 "[ . 1]"
2 8 VAL 2.728 1.229 9 1 "[ . +1]"
2 9 VAL 3.470 1.140 9 1 "[ . +1]"
2 10 PHE 4.797 2.077 2 1 "[ + . 1]"
2 11 GLU 5.842 1.075 2 4 "[ +* .* - 1]"
2 12 GLU 9.540 0.900 6 3 "[ .+*- 1]"
2 13 ARG 3.394 0.215 5 0 "[ . 1]"
2 14 ASP 0.045 0.025 8 0 "[ . 1]"
2 15 GLY 2.842 0.323 6 0 "[ . 1]"
2 16 ASN 6.505 0.323 6 0 "[ . 1]"
2 17 ALA 1.990 0.714 3 1 "[ + . 1]"
2 18 VAL 1.675 1.075 2 1 "[ + . 1]"
2 19 LEU 1.605 0.861 2 1 "[ + . 1]"
2 20 ASN 4.477 2.077 2 1 "[ + . 1]"
2 21 LEU 0.939 0.130 5 0 "[ . 1]"
2 22 LEU 5.562 0.578 4 1 "[ +. 1]"
2 23 PHE 7.967 0.679 5 3 "[ *+ -1]"
2 24 SER 3.617 0.679 5 3 "[ *+ -1]"
2 25 LEU 2.693 0.408 10 0 "[ . 1]"
2 26 ARG 0.947 0.535 5 1 "[ + 1]"
2 27 GLY 0.000 0.000 . 0 "[ . 1]"
2 28 THR 0.000 0.000 . 0 "[ . 1]"
2 31 SER 0.111 0.061 8 0 "[ . 1]"
2 32 SER 0.000 0.000 . 0 "[ . 1]"
2 33 LEU 0.111 0.061 8 0 "[ . 1]"
2 34 SER 1.711 0.354 3 0 "[ . 1]"
2 35 ARG 0.398 0.148 3 0 "[ . 1]"
2 36 ALA 0.000 0.000 . 0 "[ . 1]"
2 37 VAL 4.483 0.359 3 0 "[ . 1]"
2 38 LYS 0.864 0.345 5 0 "[ . 1]"
2 39 VAL 2.067 0.236 7 0 "[ . 1]"
2 40 PHE 0.209 0.044 2 0 "[ . 1]"
2 41 GLU 0.677 0.345 5 0 "[ . 1]"
2 42 THR 1.326 0.249 10 0 "[ . 1]"
2 43 PHE 1.331 0.249 10 0 "[ . 1]"
2 44 GLU 2.938 0.354 1 0 "[ . 1]"
2 45 ALA 2.938 0.354 1 0 "[ . 1]"
2 46 LYS 0.000 0.000 . 0 "[ . 1]"
2 47 ILE 1.361 0.108 8 0 "[ . 1]"
2 48 HIS 1.183 0.129 2 0 "[ . 1]"
2 49 HIS 0.839 0.129 2 0 "[ . 1]"
2 50 LEU 0.000 0.000 . 0 "[ . 1]"
2 51 GLU 0.215 0.167 2 0 "[ . 1]"
2 52 THR 1.781 0.704 2 1 "[ + . 1]"
2 53 ARG 1.626 0.704 2 1 "[ + . 1]"
2 54 PRO 1.043 0.187 10 0 "[ . 1]"
2 55 ALA 3.543 0.887 10 2 "[- . +]"
2 56 GLN 7.178 0.853 2 2 "[ + . -1]"
2 57 ARG 9.040 1.375 10 4 "[** - +]"
2 58 PRO 0.848 0.191 10 0 "[ . 1]"
2 59 LEU 2.451 0.441 4 0 "[ . 1]"
2 60 ALA 2.525 1.375 10 1 "[ . +]"
2 61 GLY 1.465 0.437 7 0 "[ . 1]"
2 62 SER 1.659 0.437 7 0 "[ . 1]"
2 63 PRO 0.000 0.000 . 0 "[ . 1]"
2 64 HIS 0.455 0.311 10 0 "[ . 1]"
2 65 LEU 0.659 0.311 10 0 "[ . 1]"
2 66 GLU 5.200 0.840 2 3 "[-+* . 1]"
2 67 TYR 4.776 0.840 2 3 "[-+* . 1]"
2 68 PHE 1.655 0.142 9 0 "[ . 1]"
2 69 VAL 0.295 0.081 5 0 "[ . 1]"
2 70 ARG 0.000 0.000 . 0 "[ . 1]"
2 71 PHE 0.742 0.109 2 0 "[ . 1]"
2 72 GLU 0.460 0.114 6 0 "[ . 1]"
2 73 VAL 0.605 0.110 8 0 "[ . 1]"
2 74 PRO 0.000 0.000 . 0 "[ . 1]"
2 75 SER 0.475 0.136 8 0 "[ . 1]"
2 76 GLY 0.139 0.021 7 0 "[ . 1]"
2 77 ASP 1.850 0.221 2 0 "[ . 1]"
2 78 LEU 1.808 0.221 2 0 "[ . 1]"
2 79 ALA 0.072 0.023 7 0 "[ . 1]"
2 80 ALA 0.734 0.091 8 0 "[ . 1]"
2 81 LEU 0.970 0.091 8 0 "[ . 1]"
2 82 LEU 0.000 0.000 . 0 "[ . 1]"
2 83 SER 2.001 0.144 8 0 "[ . 1]"
2 84 SER 3.695 0.236 7 0 "[ . 1]"
2 85 VAL 0.688 0.136 7 0 "[ . 1]"
2 86 ARG 0.000 0.000 . 0 "[ . 1]"
2 87 ARG 0.635 0.078 4 0 "[ . 1]"
2 88 VAL 0.000 0.000 . 0 "[ . 1]"
2 89 SER 0.354 0.076 4 0 "[ . 1]"
2 90 ASP 1.484 0.224 5 0 "[ . 1]"
2 91 ASP 1.750 0.416 8 0 "[ . 1]"
2 92 VAL 6.211 0.583 9 1 "[ . +1]"
2 93 ARG 6.585 0.578 4 1 "[ +. 1]"
2 94 SER 4.414 1.229 9 1 "[ . +1]"
2 95 ALA 1.419 0.124 4 0 "[ . 1]"
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 51 GLU HA 1 51 GLU QG 3.729 . 5.467 3.282 2.704 3.489 . 0 0 "[ . 1]" 3
2 2 51 GLU HA 2 51 GLU QG 3.729 . 5.467 3.282 2.704 3.490 . 0 0 "[ . 1]" 3
3 1 11 GLU HG3 1 17 ALA HA 3.460 . 4.956 4.634 4.041 5.671 0.715 3 1 "[ + . 1]" 3
4 2 11 GLU HG3 2 17 ALA HA 3.460 . 4.956 4.634 4.040 5.670 0.714 3 1 "[ + . 1]" 3
5 1 51 GLU H 1 51 GLU QG 4.394 . 6.405 2.592 2.376 2.707 . 0 0 "[ . 1]" 3
6 2 51 GLU H 2 51 GLU QG 4.394 . 6.405 2.592 2.378 2.709 . 0 0 "[ . 1]" 3
7 1 52 THR HA 1 52 THR MG 2.514 . 3.304 2.982 2.772 3.136 . 0 0 "[ . 1]" 3
8 2 52 THR HA 2 52 THR MG 2.514 . 3.304 2.982 2.772 3.136 . 0 0 "[ . 1]" 3
9 1 55 ALA MB 1 64 HIS QB 3.319 . 4.696 2.642 1.877 3.786 0.117 7 0 "[ . 1]" 3
10 2 55 ALA MB 2 64 HIS QB 3.319 . 4.696 2.643 1.878 3.786 0.116 7 0 "[ . 1]" 3
11 1 56 GLN HA 1 56 GLN HB3 2.391 . 3.105 2.305 2.215 2.422 . 0 0 "[ . 1]" 3
12 2 56 GLN HA 2 56 GLN HB3 2.391 . 3.105 2.305 2.215 2.420 . 0 0 "[ . 1]" 3
13 1 55 ALA MB 1 56 GLN HB3 3.560 . 5.144 4.633 3.751 5.070 . 0 0 "[ . 1]" 3
14 2 55 ALA MB 2 56 GLN HB3 3.560 . 5.144 4.633 3.750 5.071 . 0 0 "[ . 1]" 3
15 1 55 ALA MB 1 56 GLN HB2 3.714 . 5.438 4.785 4.203 5.077 . 0 0 "[ . 1]" 3
16 2 55 ALA MB 2 56 GLN HB2 3.714 . 5.438 4.785 4.204 5.077 . 0 0 "[ . 1]" 3
17 1 55 ALA MB 1 56 GLN HG3 3.442 . 4.923 3.903 3.121 4.458 . 0 0 "[ . 1]" 3
18 2 55 ALA MB 2 56 GLN HG3 3.442 . 4.923 3.903 3.122 4.458 . 0 0 "[ . 1]" 3
19 1 56 GLN HB2 1 56 GLN HG3 2.607 . 3.457 2.419 2.189 2.634 . 0 0 "[ . 1]" 3
20 2 56 GLN HB2 2 56 GLN HG3 2.607 . 3.457 2.419 2.191 2.634 . 0 0 "[ . 1]" 3
21 1 56 GLN HG2 1 57 ARG HG2 3.406 . 4.856 4.497 3.822 5.003 0.147 2 0 "[ . 1]" 3
22 2 56 GLN HG2 2 57 ARG HG2 3.406 . 4.856 4.497 3.823 5.005 0.149 2 0 "[ . 1]" 3
23 1 56 GLN HG3 1 57 ARG HG2 3.131 . 4.357 3.436 2.581 4.543 0.186 5 0 "[ . 1]" 3
24 2 56 GLN HG3 2 57 ARG HG2 3.131 . 4.357 3.436 2.580 4.542 0.185 5 0 "[ . 1]" 3
25 1 10 PHE QD 1 11 GLU QB 4.065 . 6.131 4.835 4.435 5.070 . 0 0 "[ . 1]" 3
26 2 10 PHE QD 2 11 GLU QB 4.065 . 6.131 4.835 4.434 5.071 . 0 0 "[ . 1]" 3
27 1 4 PRO HG3 1 5 LEU MD2 2.562 . 3.383 3.016 2.906 3.086 . 0 0 "[ . 1]" 3
28 2 4 PRO HG3 2 5 LEU MD2 2.562 . 3.383 3.016 2.909 3.086 . 0 0 "[ . 1]" 3
29 1 4 PRO HA 1 4 PRO HG2 2.919 . 3.984 3.797 3.790 3.808 . 0 0 "[ . 1]" 3
30 2 4 PRO HA 2 4 PRO HG2 2.919 . 3.984 3.798 3.790 3.807 . 0 0 "[ . 1]" 3
31 1 3 ASN HA 1 4 PRO HG2 2.914 . 3.975 4.099 4.057 4.161 0.186 9 0 "[ . 1]" 3
32 2 3 ASN HA 2 4 PRO HG2 2.914 . 3.975 4.100 4.058 4.164 0.189 9 0 "[ . 1]" 3
33 1 54 PRO HD3 1 54 PRO HG3 2.097 . 2.647 2.293 2.279 2.308 . 0 0 "[ . 1]" 3
34 2 54 PRO HD3 2 54 PRO HG3 2.097 . 2.647 2.293 2.279 2.308 . 0 0 "[ . 1]" 3
35 1 4 PRO QD 1 4 PRO HG3 2.089 . 2.634 2.184 2.181 2.189 . 0 0 "[ . 1]" 3
36 2 4 PRO QD 2 4 PRO HG3 2.089 . 2.634 2.184 2.180 2.189 . 0 0 "[ . 1]" 3
37 1 54 PRO HD2 1 54 PRO HG2 1.978 . 2.467 2.291 2.277 2.310 . 0 0 "[ . 1]" 3
38 2 54 PRO HD2 2 54 PRO HG2 1.978 . 2.467 2.291 2.278 2.310 . 0 0 "[ . 1]" 3
39 1 60 ALA MB 1 61 GLY HA2 4.599 . 7.242 4.292 3.794 4.575 . 0 0 "[ . 1]" 3
40 2 60 ALA MB 2 61 GLY HA2 4.599 . 7.242 4.291 3.793 4.575 . 0 0 "[ . 1]" 3
41 1 62 SER HA 1 62 SER QB 2.222 . 2.839 2.358 2.200 2.453 . 0 0 "[ . 1]" 3
42 2 62 SER HA 2 62 SER QB 2.222 . 2.839 2.359 2.201 2.454 . 0 0 "[ . 1]" 3
43 1 61 GLY H 1 62 SER QB 4.321 . 6.655 4.573 3.683 4.991 . 0 0 "[ . 1]" 3
44 2 61 GLY H 2 62 SER QB 4.321 . 6.655 4.573 3.684 4.992 . 0 0 "[ . 1]" 3
45 1 62 SER HA 1 63 PRO HA 3.422 . 4.886 4.469 4.400 4.724 . 0 0 "[ . 1]" 3
46 2 62 SER HA 2 63 PRO HA 3.422 . 4.886 4.469 4.402 4.723 . 0 0 "[ . 1]" 3
47 1 64 HIS QB 1 65 LEU QB 4.109 . 5.671 4.148 3.081 4.497 . 0 0 "[ . 1]" 3
48 2 64 HIS QB 2 65 LEU QB 4.109 . 5.671 4.148 3.081 4.497 . 0 0 "[ . 1]" 3
49 1 64 HIS QB 1 65 LEU H 3.238 . 3.288 2.403 1.616 3.301 0.311 10 0 "[ . 1]" 3
50 2 64 HIS QB 2 65 LEU H 3.238 . 3.288 2.403 1.616 3.302 0.311 10 0 "[ . 1]" 3
51 1 65 LEU HA 1 65 LEU QB 3.910 . 5.821 2.468 2.127 2.540 . 0 0 "[ . 1]" 3
52 2 65 LEU HA 2 65 LEU QB 3.910 . 5.821 2.468 2.127 2.541 . 0 0 "[ . 1]" 3
53 1 65 LEU QB 1 65 LEU MD2 2.605 . 3.302 2.276 2.042 2.634 . 0 0 "[ . 1]" 3
54 2 65 LEU QB 2 65 LEU MD2 2.605 . 3.302 2.276 2.042 2.632 . 0 0 "[ . 1]" 3
55 1 91 ASP HA 1 91 ASP HB3 2.581 . 3.414 2.745 2.419 3.033 . 0 0 "[ . 1]" 3
56 2 91 ASP HA 2 91 ASP HB3 2.581 . 3.414 2.745 2.419 3.032 . 0 0 "[ . 1]" 3
57 1 68 PHE HA 1 68 PHE QD 4.103 . 6.208 2.070 2.007 2.154 . 0 0 "[ . 1]" 3
58 2 68 PHE HA 2 68 PHE QD 4.103 . 6.208 2.071 2.008 2.154 . 0 0 "[ . 1]" 3
59 1 22 LEU HA 1 68 PHE HA 3.876 . 5.754 3.317 3.144 3.538 . 0 0 "[ . 1]" 3
60 2 22 LEU HA 2 68 PHE HA 3.876 . 5.754 3.317 3.146 3.537 . 0 0 "[ . 1]" 3
61 1 68 PHE HA 1 69 VAL MG2 3.457 . 4.951 3.288 3.207 3.342 . 0 0 "[ . 1]" 3
62 2 68 PHE HA 2 69 VAL MG2 3.457 . 4.951 3.288 3.211 3.342 . 0 0 "[ . 1]" 3
63 1 69 VAL HB 1 71 PHE HD1 3.401 . 4.847 3.853 3.626 4.105 . 0 0 "[ . 1]" 3
64 2 69 VAL HB 2 71 PHE HD1 3.401 . 4.847 3.853 3.626 4.106 . 0 0 "[ . 1]" 3
65 1 69 VAL HB 1 70 ARG H 3.691 . 5.394 3.714 3.641 3.779 . 0 0 "[ . 1]" 3
66 2 69 VAL HB 2 70 ARG H 3.691 . 5.394 3.714 3.642 3.778 . 0 0 "[ . 1]" 3
67 1 18 VAL H 1 18 VAL MG2 2.242 . 2.870 2.464 2.330 2.569 . 0 0 "[ . 1]" 3
68 2 18 VAL H 2 18 VAL MG2 2.242 . 2.870 2.464 2.332 2.569 . 0 0 "[ . 1]" 3
69 1 50 LEU HA 1 69 VAL MG2 2.804 . 3.787 2.870 2.570 3.295 . 0 0 "[ . 1]" 3
70 2 50 LEU HA 2 69 VAL MG2 2.804 . 3.787 2.870 2.570 3.295 . 0 0 "[ . 1]" 3
71 1 17 ALA HA 1 18 VAL MG2 2.559 . 3.378 3.396 3.286 3.438 0.060 1 0 "[ . 1]" 3
72 2 17 ALA HA 2 18 VAL MG2 2.559 . 3.378 3.395 3.286 3.437 0.059 1 0 "[ . 1]" 3
73 1 34 SER HA 1 37 VAL QG 2.205 . 2.813 2.060 1.886 2.160 . 0 0 "[ . 1]" 3
74 2 34 SER HA 2 37 VAL QG 2.205 . 2.813 2.060 1.886 2.161 . 0 0 "[ . 1]" 3
75 1 69 VAL HA 1 69 VAL MG1 2.632 . 3.498 2.309 2.271 2.353 . 0 0 "[ . 1]" 3
76 2 69 VAL HA 2 69 VAL MG1 2.632 . 3.498 2.309 2.271 2.354 . 0 0 "[ . 1]" 3
77 1 18 VAL MG2 1 72 GLU HA 2.982 . 4.094 3.278 3.100 3.377 . 0 0 "[ . 1]" 3
78 2 18 VAL MG2 2 72 GLU HA 2.982 . 4.094 3.277 3.100 3.375 . 0 0 "[ . 1]" 3
79 1 21 LEU H 1 69 VAL MG1 3.302 . 4.665 4.211 4.083 4.277 . 0 0 "[ . 1]" 3
80 2 21 LEU H 2 69 VAL MG1 3.302 . 4.665 4.212 4.084 4.278 . 0 0 "[ . 1]" 3
81 1 47 ILE HA 1 71 PHE HA 3.680 . 5.373 2.134 2.036 2.254 . 0 0 "[ . 1]" 3
82 2 47 ILE HA 2 71 PHE HA 3.680 . 5.373 2.134 2.037 2.253 . 0 0 "[ . 1]" 3
83 1 71 PHE HB3 1 72 GLU H 3.371 . 4.792 3.844 3.774 3.905 . 0 0 "[ . 1]" 3
84 2 71 PHE HB3 2 72 GLU H 3.371 . 4.792 3.844 3.774 3.905 . 0 0 "[ . 1]" 3
85 1 71 PHE HB3 1 71 PHE HD1 3.252 . 4.574 2.686 2.642 2.835 . 0 0 "[ . 1]" 3
86 2 71 PHE HB3 2 71 PHE HD1 3.252 . 4.574 2.686 2.642 2.836 . 0 0 "[ . 1]" 3
87 1 18 VAL HB 1 72 GLU HA 3.689 . 5.390 5.095 4.886 5.250 . 0 0 "[ . 1]" 3
88 2 18 VAL HB 2 72 GLU HA 3.689 . 5.390 5.095 4.887 5.248 . 0 0 "[ . 1]" 3
89 1 72 GLU HB3 1 73 VAL H 3.309 . 4.677 4.298 4.239 4.364 . 0 0 "[ . 1]" 3
90 2 72 GLU HB3 2 73 VAL H 3.309 . 4.677 4.298 4.239 4.364 . 0 0 "[ . 1]" 3
91 1 72 GLU H 1 72 GLU HB2 3.994 . 5.988 3.822 3.759 3.876 . 0 0 "[ . 1]" 3
92 2 72 GLU H 2 72 GLU HB2 3.994 . 5.988 3.822 3.760 3.876 . 0 0 "[ . 1]" 3
93 1 18 VAL HA 1 72 GLU HB2 3.313 . 4.685 2.805 2.675 2.905 . 0 0 "[ . 1]" 3
94 2 18 VAL HA 2 72 GLU HB2 3.313 . 4.685 2.805 2.677 2.906 . 0 0 "[ . 1]" 3
95 1 18 VAL HA 1 72 GLU HB3 3.488 . 5.009 3.459 3.194 3.655 . 0 0 "[ . 1]" 3
96 2 18 VAL HA 2 72 GLU HB3 3.488 . 5.009 3.459 3.195 3.655 . 0 0 "[ . 1]" 3
97 1 16 ASN QB 1 72 GLU HB2 3.683 . 5.379 4.029 3.798 4.521 . 0 0 "[ . 1]" 3
98 2 16 ASN QB 2 72 GLU HB2 3.683 . 5.379 4.029 3.797 4.520 . 0 0 "[ . 1]" 3
99 1 72 GLU HA 1 72 GLU QG 3.387 . 4.821 3.243 3.164 3.389 . 0 0 "[ . 1]" 3
100 2 72 GLU HA 2 72 GLU QG 3.387 . 4.821 3.243 3.165 3.389 . 0 0 "[ . 1]" 3
101 1 72 GLU H 1 72 GLU QG 3.274 . 4.344 2.936 2.820 3.045 . 0 0 "[ . 1]" 3
102 2 72 GLU H 2 72 GLU QG 3.274 . 4.344 2.936 2.821 3.044 . 0 0 "[ . 1]" 3
103 1 73 VAL MG1 1 81 LEU MD2 2.258 . 2.895 1.606 1.563 1.625 0.058 6 0 "[ . 1]" 3
104 2 73 VAL MG1 2 81 LEU MD2 2.258 . 2.895 1.607 1.564 1.626 0.057 6 0 "[ . 1]" 3
105 1 73 VAL MG1 1 77 ASP HB3 2.795 . 3.771 2.654 1.783 2.824 0.036 7 0 "[ . 1]" 3
106 2 73 VAL MG1 2 77 ASP HB3 2.795 . 3.771 2.654 1.785 2.825 0.034 7 0 "[ . 1]" 3
107 1 43 PHE HB3 1 73 VAL MG1 3.444 . 4.927 2.893 2.809 3.053 . 0 0 "[ . 1]" 3
108 2 43 PHE HB3 2 73 VAL MG1 3.444 . 4.927 2.893 2.809 3.053 . 0 0 "[ . 1]" 3
109 1 40 PHE HA 1 73 VAL MG2 2.509 . 3.296 3.072 3.045 3.105 . 0 0 "[ . 1]" 3
110 2 40 PHE HA 2 73 VAL MG2 2.509 . 3.296 3.072 3.043 3.107 . 0 0 "[ . 1]" 3
111 1 74 PRO HB3 1 75 SER H 3.710 . 5.431 3.510 3.457 3.579 . 0 0 "[ . 1]" 3
112 2 74 PRO HB3 2 75 SER H 3.710 . 5.431 3.511 3.458 3.582 . 0 0 "[ . 1]" 3
113 1 54 PRO HB3 1 55 ALA MB 3.637 . 5.291 4.615 4.214 5.005 . 0 0 "[ . 1]" 3
114 2 54 PRO HB3 2 55 ALA MB 3.637 . 5.291 4.614 4.212 5.005 . 0 0 "[ . 1]" 3
115 1 75 SER HA 1 78 LEU H 3.324 . 4.705 3.988 3.875 4.197 . 0 0 "[ . 1]" 3
116 2 75 SER HA 2 78 LEU H 3.324 . 4.705 3.989 3.876 4.197 . 0 0 "[ . 1]" 3
117 1 16 ASN HA 1 75 SER HB2 3.600 . 5.220 4.240 3.113 4.930 . 0 0 "[ . 1]" 3
118 2 16 ASN HA 2 75 SER HB2 3.600 . 5.220 4.239 3.113 4.929 . 0 0 "[ . 1]" 3
119 1 78 LEU HA 1 78 LEU HB3 2.991 . 4.109 3.015 3.013 3.017 . 0 0 "[ . 1]" 3
120 2 78 LEU HA 2 78 LEU HB3 2.991 . 4.109 3.015 3.012 3.017 . 0 0 "[ . 1]" 3
121 1 78 LEU HA 1 80 ALA MB 3.435 . 4.910 4.379 4.331 4.412 . 0 0 "[ . 1]" 3
122 2 78 LEU HA 2 80 ALA MB 3.435 . 4.910 4.379 4.331 4.410 . 0 0 "[ . 1]" 3
123 1 78 LEU HA 1 80 ALA H 4.255 . 6.518 3.818 3.797 3.847 . 0 0 "[ . 1]" 3
124 2 78 LEU HA 2 80 ALA H 4.255 . 6.518 3.818 3.796 3.846 . 0 0 "[ . 1]" 3
125 1 78 LEU HA 1 79 ALA H 3.685 . 5.383 3.494 3.486 3.497 . 0 0 "[ . 1]" 3
126 2 78 LEU HA 2 79 ALA H 3.685 . 5.383 3.494 3.486 3.498 . 0 0 "[ . 1]" 3
127 1 75 SER HA 1 78 LEU HB3 3.908 . 5.817 3.600 3.452 3.805 . 0 0 "[ . 1]" 3
128 2 75 SER HA 2 78 LEU HB3 3.908 . 5.817 3.600 3.455 3.806 . 0 0 "[ . 1]" 3
129 1 78 LEU HB3 1 78 LEU MD1 3.293 . 4.648 3.160 3.148 3.165 . 0 0 "[ . 1]" 3
130 2 78 LEU HB3 2 78 LEU MD1 3.293 . 4.648 3.159 3.148 3.164 . 0 0 "[ . 1]" 3
131 1 17 ALA H 1 78 LEU MD2 4.440 . 6.904 4.073 3.970 4.246 . 0 0 "[ . 1]" 3
132 2 17 ALA H 2 78 LEU MD2 4.440 . 6.904 4.072 3.971 4.244 . 0 0 "[ . 1]" 3
133 1 18 VAL H 1 78 LEU MD2 3.691 . 5.394 4.794 4.651 4.898 . 0 0 "[ . 1]" 3
134 2 18 VAL H 2 78 LEU MD2 3.691 . 5.394 4.793 4.650 4.896 . 0 0 "[ . 1]" 3
135 1 76 GLY HA2 1 79 ALA MB 2.992 . 4.111 3.698 3.335 3.807 . 0 0 "[ . 1]" 3
136 2 76 GLY HA2 2 79 ALA MB 2.992 . 4.111 3.698 3.337 3.808 . 0 0 "[ . 1]" 3
137 1 43 PHE HE2 1 80 ALA HA 4.129 . 6.260 4.244 4.179 4.328 . 0 0 "[ . 1]" 3
138 2 43 PHE HE2 2 80 ALA HA 4.129 . 6.260 4.244 4.176 4.328 . 0 0 "[ . 1]" 3
139 1 81 LEU H 1 81 LEU HB2 3.663 . 5.340 3.553 3.527 3.563 . 0 0 "[ . 1]" 3
140 2 81 LEU H 2 81 LEU HB2 3.663 . 5.340 3.553 3.527 3.563 . 0 0 "[ . 1]" 3
141 1 81 LEU HB3 1 81 LEU MD2 3.230 . 4.534 2.233 2.200 2.253 . 0 0 "[ . 1]" 3
142 2 81 LEU HB3 2 81 LEU MD2 3.230 . 4.534 2.233 2.199 2.252 . 0 0 "[ . 1]" 3
143 1 39 VAL MG2 1 81 LEU HB3 3.668 . 5.350 4.335 4.292 4.369 . 0 0 "[ . 1]" 3
144 2 39 VAL MG2 2 81 LEU HB3 3.668 . 5.350 4.335 4.291 4.371 . 0 0 "[ . 1]" 3
145 1 39 VAL MG2 1 81 LEU HB2 3.477 . 4.988 3.377 3.339 3.432 . 0 0 "[ . 1]" 3
146 2 39 VAL MG2 2 81 LEU HB2 3.477 . 4.988 3.377 3.338 3.431 . 0 0 "[ . 1]" 3
147 1 81 LEU MD1 1 82 LEU MD1 2.163 . 2.748 1.824 1.815 1.831 . 0 0 "[ . 1]" 3
148 2 81 LEU MD1 2 82 LEU MD1 2.163 . 2.748 1.824 1.815 1.831 . 0 0 "[ . 1]" 3
149 1 82 LEU HB2 1 82 LEU MD1 2.441 . 3.186 2.518 2.505 2.533 . 0 0 "[ . 1]" 3
150 2 82 LEU HB2 2 82 LEU MD1 2.441 . 3.186 2.518 2.504 2.534 . 0 0 "[ . 1]" 3
151 1 82 LEU HA 1 82 LEU MD1 2.195 . 2.797 2.014 1.947 2.094 . 0 0 "[ . 1]" 3
152 2 82 LEU HA 2 82 LEU MD1 2.195 . 2.797 2.014 1.948 2.092 . 0 0 "[ . 1]" 3
153 1 59 LEU MD2 1 62 SER QB 3.474 . 4.377 2.649 1.880 3.536 0.086 8 0 "[ . 1]" 3
154 2 59 LEU MD2 2 62 SER QB 3.474 . 4.377 2.649 1.880 3.537 0.086 8 0 "[ . 1]" 3
155 1 84 SER HA 1 86 ARG H 3.304 . 4.669 3.984 3.788 4.287 . 0 0 "[ . 1]" 3
156 2 84 SER HA 2 86 ARG H 3.304 . 4.669 3.985 3.789 4.288 . 0 0 "[ . 1]" 3
157 1 84 SER HA 1 87 ARG HG2 3.432 . 4.904 3.070 3.017 3.118 . 0 0 "[ . 1]" 3
158 2 84 SER HA 2 87 ARG HG2 3.432 . 4.904 3.071 3.017 3.120 . 0 0 "[ . 1]" 3
159 1 84 SER HA 1 85 VAL MG2 3.937 . 5.875 5.336 5.266 5.479 . 0 0 "[ . 1]" 3
160 2 84 SER HA 2 85 VAL MG2 3.937 . 5.875 5.336 5.266 5.477 . 0 0 "[ . 1]" 3
161 1 84 SER QB 1 85 VAL MG2 3.477 . 4.656 3.419 3.291 3.774 . 0 0 "[ . 1]" 3
162 2 84 SER QB 2 85 VAL MG2 3.477 . 4.656 3.419 3.293 3.773 . 0 0 "[ . 1]" 3
163 1 39 VAL MG2 1 84 SER QB . . 2.710 1.654 1.622 1.756 0.235 7 0 "[ . 1]" 3
164 2 39 VAL MG2 2 84 SER QB . . 2.710 1.654 1.621 1.756 0.236 7 0 "[ . 1]" 3
165 1 81 LEU HA 1 84 SER QB 4.063 . 5.203 2.802 2.529 3.077 . 0 0 "[ . 1]" 3
166 2 81 LEU HA 2 84 SER QB 4.063 . 5.203 2.802 2.530 3.077 . 0 0 "[ . 1]" 3
167 1 85 VAL HA 1 88 VAL H 3.716 . 5.442 3.154 3.000 3.291 . 0 0 "[ . 1]" 3
168 2 85 VAL HA 2 88 VAL H 3.716 . 5.442 3.154 3.003 3.289 . 0 0 "[ . 1]" 3
169 1 84 SER QB 1 85 VAL HA 3.655 . 5.325 3.829 3.778 3.871 . 0 0 "[ . 1]" 3
170 2 84 SER QB 2 85 VAL HA 3.655 . 5.325 3.828 3.777 3.872 . 0 0 "[ . 1]" 3
171 1 39 VAL HB 1 85 VAL HA 3.489 . 5.011 4.534 4.207 4.670 . 0 0 "[ . 1]" 3
172 2 39 VAL HB 2 85 VAL HA 3.489 . 5.011 4.534 4.206 4.668 . 0 0 "[ . 1]" 3
173 1 85 VAL HB 1 87 ARG H 3.678 . 5.369 4.847 4.704 4.952 . 0 0 "[ . 1]" 3
174 2 85 VAL HB 2 87 ARG H 3.678 . 5.369 4.847 4.705 4.953 . 0 0 "[ . 1]" 3
175 1 40 PHE HE1 1 85 VAL MG2 3.182 . 4.448 2.178 2.017 2.421 . 0 0 "[ . 1]" 3
176 2 40 PHE HE1 2 85 VAL MG2 3.182 . 4.448 2.177 2.017 2.422 . 0 0 "[ . 1]" 3
177 1 40 PHE H 1 85 VAL MG2 3.202 . 4.484 4.003 3.933 4.053 . 0 0 "[ . 1]" 3
178 2 40 PHE H 2 85 VAL MG2 3.202 . 4.484 4.002 3.933 4.052 . 0 0 "[ . 1]" 3
179 1 39 VAL HB 1 85 VAL MG2 2.486 . 3.259 2.439 2.384 2.484 . 0 0 "[ . 1]" 3
180 2 39 VAL HB 2 85 VAL MG2 2.486 . 3.259 2.438 2.384 2.484 . 0 0 "[ . 1]" 3
181 1 85 VAL MG1 1 89 SER H 3.174 . 4.434 3.866 3.710 4.096 . 0 0 "[ . 1]" 3
182 2 85 VAL MG1 2 89 SER H 3.174 . 4.434 3.866 3.711 4.098 . 0 0 "[ . 1]" 3
183 1 10 PHE HA 1 19 LEU QD 3.227 . 3.946 3.034 2.210 3.742 . 0 0 "[ . 1]" 3
184 2 10 PHE HA 2 19 LEU QD 3.227 . 3.946 3.034 2.211 3.741 . 0 0 "[ . 1]" 3
185 1 66 GLU HA 1 67 TYR QD 3.701 . 5.413 4.456 3.820 5.336 . 0 0 "[ . 1]" 3
186 2 66 GLU HA 2 67 TYR QD 3.701 . 5.413 4.456 3.822 5.338 . 0 0 "[ . 1]" 3
187 1 93 ARG HG2 1 94 SER H 3.201 . 4.481 4.494 4.288 4.586 0.105 8 0 "[ . 1]" 3
188 2 93 ARG HG2 2 94 SER H 3.201 . 4.481 4.494 4.288 4.586 0.105 8 0 "[ . 1]" 3
189 1 22 LEU QD 1 93 ARG HD3 3.114 . 4.326 4.367 3.275 4.904 0.578 4 1 "[ +. 1]" 3
190 2 22 LEU QD 2 93 ARG HD3 3.114 . 4.326 4.367 3.275 4.904 0.578 4 1 "[ +. 1]" 3
191 1 22 LEU H 1 94 SER HA 2.771 . 3.731 2.950 2.506 3.736 0.005 8 0 "[ . 1]" 3
192 2 22 LEU H 2 94 SER HA 2.771 . 3.731 2.950 2.506 3.735 0.004 8 0 "[ . 1]" 3
193 1 22 LEU H 1 94 SER QB 4.304 . 6.619 4.864 4.479 5.413 . 0 0 "[ . 1]" 3
194 2 22 LEU H 2 94 SER QB 4.304 . 6.619 4.864 4.479 5.413 . 0 0 "[ . 1]" 3
195 1 47 ILE MD 1 71 PHE HA 3.462 . 4.960 3.693 3.581 3.789 . 0 0 "[ . 1]" 3
196 2 47 ILE MD 2 71 PHE HA 3.462 . 4.960 3.693 3.582 3.788 . 0 0 "[ . 1]" 3
197 1 47 ILE MG 1 48 HIS QB 3.109 . 4.317 3.959 3.920 3.972 . 0 0 "[ . 1]" 3
198 2 47 ILE MG 2 48 HIS QB 3.109 . 4.317 3.959 3.918 3.972 . 0 0 "[ . 1]" 3
199 1 47 ILE MG 1 71 PHE HD1 3.475 . 4.984 4.206 4.029 4.348 . 0 0 "[ . 1]" 3
200 2 47 ILE MG 2 71 PHE HD1 3.475 . 4.984 4.206 4.030 4.347 . 0 0 "[ . 1]" 3
201 1 79 ALA MB 1 80 ALA H 2.228 . 2.848 2.789 2.783 2.794 . 0 0 "[ . 1]" 3
202 2 79 ALA MB 2 80 ALA H 2.228 . 2.848 2.789 2.784 2.793 . 0 0 "[ . 1]" 3
203 1 77 ASP HA 1 79 ALA MB 3.347 . 4.747 4.557 4.545 4.571 . 0 0 "[ . 1]" 3
204 2 77 ASP HA 2 79 ALA MB 3.347 . 4.747 4.558 4.545 4.572 . 0 0 "[ . 1]" 3
205 1 77 ASP HB2 1 80 ALA MB 3.150 . 4.390 4.042 4.015 4.225 . 0 0 "[ . 1]" 3
206 2 77 ASP HB2 2 80 ALA MB 3.150 . 4.390 4.041 4.013 4.224 . 0 0 "[ . 1]" 3
207 1 55 ALA MB 1 56 GLN H 2.175 . 2.766 1.933 1.680 2.215 . 0 0 "[ . 1]" 3
208 2 55 ALA MB 2 56 GLN H 2.175 . 2.766 1.933 1.678 2.214 . 0 0 "[ . 1]" 3
209 1 18 VAL MG1 1 71 PHE H 2.938 . 4.017 3.872 3.782 3.924 . 0 0 "[ . 1]" 3
210 2 18 VAL MG1 2 71 PHE H 2.938 . 4.017 3.872 3.781 3.923 . 0 0 "[ . 1]" 3
211 1 28 THR HA 1 28 THR MG 2.580 . 3.412 2.532 2.244 3.179 . 0 0 "[ . 1]" 3
212 2 28 THR HA 2 28 THR MG 2.580 . 3.412 2.532 2.243 3.180 . 0 0 "[ . 1]" 3
213 1 28 THR HB 1 28 THR MG 2.487 . 3.260 2.128 2.109 2.134 . 0 0 "[ . 1]" 3
214 2 28 THR HB 2 28 THR MG 2.487 . 3.260 2.128 2.109 2.135 . 0 0 "[ . 1]" 3
215 1 45 ALA MB 1 73 VAL MG1 2.530 . 3.330 1.956 1.880 2.073 . 0 0 "[ . 1]" 3
216 2 45 ALA MB 2 73 VAL MG1 2.530 . 3.330 1.955 1.878 2.072 . 0 0 "[ . 1]" 3
217 1 73 VAL MG1 1 78 LEU MD1 2.636 . 3.505 3.105 3.074 3.146 . 0 0 "[ . 1]" 3
218 2 73 VAL MG1 2 78 LEU MD1 2.636 . 3.505 3.104 3.074 3.146 . 0 0 "[ . 1]" 3
219 1 69 VAL HB 1 69 VAL MG1 1.989 . 2.484 2.128 2.122 2.132 . 0 0 "[ . 1]" 3
220 2 69 VAL HB 2 69 VAL MG1 1.989 . 2.484 2.127 2.122 2.132 . 0 0 "[ . 1]" 3
221 1 55 ALA MB 1 57 ARG HG2 2.963 . 4.061 3.699 3.086 4.948 0.887 10 2 "[- . +]" 3
222 2 55 ALA MB 2 57 ARG HG2 2.963 . 4.061 3.699 3.088 4.948 0.887 10 2 "[- . +]" 3
223 1 73 VAL HB 1 73 VAL MG2 2.260 . 2.899 2.074 2.070 2.077 . 0 0 "[ . 1]" 3
224 2 73 VAL HB 2 73 VAL MG2 2.260 . 2.899 2.074 2.070 2.075 . 0 0 "[ . 1]" 3
225 1 5 LEU H 1 5 LEU MD2 2.428 . 3.165 2.088 1.940 2.247 . 0 0 "[ . 1]" 3
226 2 5 LEU H 2 5 LEU MD2 2.428 . 3.165 2.088 1.942 2.246 . 0 0 "[ . 1]" 3
227 1 81 LEU H 1 82 LEU MD1 3.001 . 4.127 3.747 3.720 3.782 . 0 0 "[ . 1]" 3
228 2 81 LEU H 2 82 LEU MD1 3.001 . 4.127 3.747 3.721 3.780 . 0 0 "[ . 1]" 3
229 1 85 VAL HB 1 85 VAL MG1 2.117 . 2.677 2.131 2.128 2.138 . 0 0 "[ . 1]" 3
230 2 85 VAL HB 2 85 VAL MG1 2.117 . 2.677 2.131 2.128 2.138 . 0 0 "[ . 1]" 3
231 1 85 VAL HB 1 85 VAL MG2 2.134 . 2.703 2.103 2.099 2.107 . 0 0 "[ . 1]" 3
232 2 85 VAL HB 2 85 VAL MG2 2.134 . 2.703 2.103 2.099 2.106 . 0 0 "[ . 1]" 3
233 1 20 ASN HA 1 95 ALA MB 2.925 . 3.994 3.793 3.750 3.861 . 0 0 "[ . 1]" 3
234 2 20 ASN HA 2 95 ALA MB 2.925 . 3.994 3.793 3.748 3.861 . 0 0 "[ . 1]" 3
235 1 38 LYS QG 1 39 VAL H 3.540 . 5.106 4.004 3.627 4.488 . 0 0 "[ . 1]" 3
236 2 38 LYS QG 2 39 VAL H 3.540 . 5.106 4.003 3.626 4.488 . 0 0 "[ . 1]" 3
237 1 52 THR HB 1 52 THR MG 2.364 . 3.062 2.129 2.119 2.133 . 0 0 "[ . 1]" 3
238 2 52 THR HB 2 52 THR MG 2.364 . 3.062 2.128 2.119 2.133 . 0 0 "[ . 1]" 3
239 1 4 PRO HG2 1 5 LEU MD2 2.390 . 3.104 1.880 1.710 2.096 . 0 0 "[ . 1]" 3
240 2 4 PRO HG2 2 5 LEU MD2 2.390 . 3.104 1.879 1.709 2.096 . 0 0 "[ . 1]" 3
241 1 82 LEU MD1 1 82 LEU HG 1.978 . 2.467 2.111 2.109 2.112 . 0 0 "[ . 1]" 3
242 2 82 LEU MD1 2 82 LEU HG 1.978 . 2.467 2.111 2.109 2.113 . 0 0 "[ . 1]" 3
243 1 39 VAL HA 1 39 VAL MG2 2.250 . 2.883 1.996 1.967 2.006 . 0 0 "[ . 1]" 3
244 2 39 VAL HA 2 39 VAL MG2 2.250 . 2.883 1.996 1.968 2.005 . 0 0 "[ . 1]" 3
245 1 17 ALA HA 1 17 ALA MB 2.370 . 3.072 2.076 2.028 2.093 . 0 0 "[ . 1]" 3
246 2 17 ALA HA 2 17 ALA MB 2.370 . 3.072 2.076 2.029 2.093 . 0 0 "[ . 1]" 3
247 1 21 LEU MD1 1 95 ALA H 2.776 . 3.739 3.522 3.371 3.643 . 0 0 "[ . 1]" 3
248 2 21 LEU MD1 2 95 ALA H 2.776 . 3.739 3.521 3.371 3.642 . 0 0 "[ . 1]" 3
249 1 21 LEU HA 1 21 LEU MD1 2.266 . 2.908 1.739 1.687 1.843 . 0 0 "[ . 1]" 3
250 2 21 LEU HA 2 21 LEU MD1 2.266 . 2.908 1.739 1.687 1.843 . 0 0 "[ . 1]" 3
251 1 88 VAL HB 1 88 VAL MG2 1.967 . 2.451 2.088 2.083 2.097 . 0 0 "[ . 1]" 3
252 2 88 VAL HB 2 88 VAL MG2 1.967 . 2.451 2.088 2.082 2.097 . 0 0 "[ . 1]" 3
253 1 88 VAL H 1 88 VAL MG2 2.294 . 2.952 2.310 2.111 2.455 . 0 0 "[ . 1]" 3
254 2 88 VAL H 2 88 VAL MG2 2.294 . 2.952 2.309 2.111 2.455 . 0 0 "[ . 1]" 3
255 1 91 ASP H 1 92 VAL MG2 2.695 . 3.603 3.058 2.227 3.341 . 0 0 "[ . 1]" 3
256 2 91 ASP H 2 92 VAL MG2 2.695 . 3.603 3.057 2.226 3.340 . 0 0 "[ . 1]" 3
257 1 68 PHE HB3 1 68 PHE QD 3.132 . 4.358 2.409 2.345 2.477 . 0 0 "[ . 1]" 3
258 2 68 PHE HB3 2 68 PHE QD 3.132 . 4.358 2.409 2.346 2.476 . 0 0 "[ . 1]" 3
259 1 20 ASN HA 1 70 ARG QB 3.103 . 4.307 3.987 3.620 4.144 . 0 0 "[ . 1]" 3
260 2 20 ASN HA 2 70 ARG QB 3.103 . 4.307 3.987 3.620 4.145 . 0 0 "[ . 1]" 3
261 1 20 ASN HB2 1 20 ASN HD21 3.035 . 4.186 2.808 2.272 2.962 . 0 0 "[ . 1]" 3
262 2 20 ASN HB2 2 20 ASN HD21 3.035 . 4.186 2.807 2.273 2.961 . 0 0 "[ . 1]" 3
263 1 64 HIS QB 1 64 HIS HD2 3.177 . 4.438 2.835 2.614 3.298 . 0 0 "[ . 1]" 3
264 2 64 HIS QB 2 64 HIS HD2 3.177 . 4.438 2.834 2.612 3.297 . 0 0 "[ . 1]" 3
265 1 56 GLN HE21 1 56 GLN HG3 2.814 . 3.804 2.997 2.241 3.476 . 0 0 "[ . 1]" 3
266 2 56 GLN HE21 2 56 GLN HG3 2.814 . 3.804 2.996 2.239 3.476 . 0 0 "[ . 1]" 3
267 1 43 PHE HD2 1 80 ALA MB 2.658 . 3.541 3.291 3.254 3.351 . 0 0 "[ . 1]" 3
268 2 43 PHE HD2 2 80 ALA MB 2.658 . 3.541 3.291 3.254 3.353 . 0 0 "[ . 1]" 3
269 1 28 THR H 1 28 THR MG 3.399 . 4.843 2.753 2.452 3.310 . 0 0 "[ . 1]" 3
270 2 28 THR H 2 28 THR MG 3.399 . 4.843 2.753 2.453 3.310 . 0 0 "[ . 1]" 3
271 1 40 PHE HE2 1 50 LEU MD2 2.614 . 3.468 2.523 2.358 2.883 . 0 0 "[ . 1]" 3
272 2 40 PHE HE2 2 50 LEU MD2 2.614 . 3.468 2.523 2.359 2.882 . 0 0 "[ . 1]" 3
273 1 50 LEU MD2 1 69 VAL HA 2.623 . 3.483 3.272 3.056 3.368 . 0 0 "[ . 1]" 3
274 2 50 LEU MD2 2 69 VAL HA 2.623 . 3.483 3.271 3.055 3.368 . 0 0 "[ . 1]" 3
275 1 33 LEU HB3 1 33 LEU QD 2.062 . 2.593 2.064 1.895 2.125 . 0 0 "[ . 1]" 3
276 2 33 LEU HB3 2 33 LEU QD 2.062 . 2.593 2.064 1.895 2.125 . 0 0 "[ . 1]" 3
277 1 81 LEU H 1 81 LEU MD1 2.627 . 3.490 2.158 2.123 2.202 . 0 0 "[ . 1]" 3
278 2 81 LEU H 2 81 LEU MD1 2.627 . 3.490 2.157 2.120 2.202 . 0 0 "[ . 1]" 3
279 1 87 ARG HA 1 87 ARG QD 2.489 . 3.263 2.586 2.003 2.971 . 0 0 "[ . 1]" 3
280 2 87 ARG HA 2 87 ARG QD 2.489 . 3.263 2.586 2.004 2.971 . 0 0 "[ . 1]" 3
281 1 41 GLU HA 1 41 GLU HB3 2.397 . 3.115 2.731 2.478 3.019 . 0 0 "[ . 1]" 3
282 2 41 GLU HA 2 41 GLU HB3 2.397 . 3.115 2.731 2.478 3.019 . 0 0 "[ . 1]" 3
283 1 38 LYS HA 1 41 GLU HB3 2.905 . 3.960 3.442 2.501 4.305 0.345 5 0 "[ . 1]" 3
284 2 38 LYS HA 2 41 GLU HB3 2.905 . 3.960 3.442 2.501 4.305 0.345 5 0 "[ . 1]" 3
285 1 3 ASN HA 1 4 PRO HA 3.692 . 5.395 4.526 4.451 4.658 . 0 0 "[ . 1]" 3
286 2 3 ASN HA 2 4 PRO HA 3.692 . 5.395 4.527 4.451 4.658 . 0 0 "[ . 1]" 3
287 1 4 PRO HA 1 4 PRO HB3 2.090 . 2.636 2.294 2.277 2.314 . 0 0 "[ . 1]" 3
288 2 4 PRO HA 2 4 PRO HB3 2.090 . 2.636 2.294 2.278 2.314 . 0 0 "[ . 1]" 3
289 1 63 PRO HA 1 63 PRO HB3 2.292 . 2.948 2.305 2.254 2.338 . 0 0 "[ . 1]" 3
290 2 63 PRO HA 2 63 PRO HB3 2.292 . 2.948 2.306 2.254 2.338 . 0 0 "[ . 1]" 3
291 1 37 VAL HA 1 37 VAL HB 2.443 . 3.189 2.686 2.594 2.730 . 0 0 "[ . 1]" 3
292 2 37 VAL HA 2 37 VAL HB 2.443 . 3.189 2.684 2.593 2.729 . 0 0 "[ . 1]" 3
293 1 38 LYS H 1 38 LYS HA 2.867 . 3.894 2.835 2.808 2.855 . 0 0 "[ . 1]" 3
294 2 38 LYS H 2 38 LYS HA 2.867 . 3.894 2.835 2.809 2.855 . 0 0 "[ . 1]" 3
295 1 50 LEU HA 1 69 VAL HB 3.410 . 4.863 4.333 4.219 4.565 . 0 0 "[ . 1]" 3
296 2 50 LEU HA 2 69 VAL HB 3.410 . 4.863 4.332 4.217 4.564 . 0 0 "[ . 1]" 3
297 1 69 VAL HA 1 70 ARG H 2.542 . 3.349 2.189 2.151 2.232 . 0 0 "[ . 1]" 3
298 2 69 VAL HA 2 70 ARG H 2.542 . 3.349 2.189 2.151 2.231 . 0 0 "[ . 1]" 3
299 1 21 LEU MD1 1 94 SER HA 2.419 . 3.151 1.751 1.656 1.980 0.031 7 0 "[ . 1]" 3
300 2 21 LEU MD1 2 94 SER HA 2.419 . 3.151 1.751 1.656 1.979 0.031 7 0 "[ . 1]" 3
301 1 71 PHE HD2 1 73 VAL MG2 2.430 . 3.168 2.110 2.045 2.256 . 0 0 "[ . 1]" 3
302 2 71 PHE HD2 2 73 VAL MG2 2.430 . 3.168 2.109 2.044 2.255 . 0 0 "[ . 1]" 3
303 1 9 VAL MG2 1 10 PHE HA 2.616 . 3.471 3.310 2.998 3.502 0.031 9 0 "[ . 1]" 3
304 2 9 VAL MG2 2 10 PHE HA 2.616 . 3.471 3.310 2.997 3.500 0.029 9 0 "[ . 1]" 3
305 1 10 PHE QB 1 10 PHE QE 3.098 . 4.297 3.888 3.873 3.895 . 0 0 "[ . 1]" 3
306 2 10 PHE QB 2 10 PHE QE 3.098 . 4.297 3.888 3.873 3.895 . 0 0 "[ . 1]" 3
307 1 40 PHE HA 1 40 PHE HB3 2.823 . 3.819 2.261 2.254 2.268 . 0 0 "[ . 1]" 3
308 2 40 PHE HA 2 40 PHE HB3 2.823 . 3.819 2.261 2.253 2.269 . 0 0 "[ . 1]" 3
309 1 45 ALA H 1 81 LEU MD2 2.772 . 3.732 3.389 3.349 3.445 . 0 0 "[ . 1]" 3
310 2 45 ALA H 2 81 LEU MD2 2.772 . 3.732 3.389 3.350 3.447 . 0 0 "[ . 1]" 3
311 1 43 PHE HD2 1 81 LEU MD2 2.569 . 3.394 2.407 2.366 2.479 . 0 0 "[ . 1]" 3
312 2 43 PHE HD2 2 81 LEU MD2 2.569 . 3.394 2.407 2.366 2.479 . 0 0 "[ . 1]" 3
313 1 43 PHE H 1 81 LEU MD2 2.646 . 3.521 2.164 2.123 2.239 . 0 0 "[ . 1]" 3
314 2 43 PHE H 2 81 LEU MD2 2.646 . 3.521 2.165 2.123 2.242 . 0 0 "[ . 1]" 3
315 1 71 PHE HE2 1 81 LEU MD1 2.722 . 3.648 2.162 2.072 2.223 . 0 0 "[ . 1]" 3
316 2 71 PHE HE2 2 81 LEU MD1 2.722 . 3.648 2.163 2.075 2.223 . 0 0 "[ . 1]" 3
317 1 43 PHE HB3 1 81 LEU MD2 2.709 . 3.626 3.039 3.016 3.061 . 0 0 "[ . 1]" 3
318 2 43 PHE HB3 2 81 LEU MD2 2.709 . 3.626 3.039 3.015 3.062 . 0 0 "[ . 1]" 3
319 1 40 PHE HA 1 81 LEU MD2 2.386 . 3.097 1.683 1.633 1.717 0.042 2 0 "[ . 1]" 3
320 2 40 PHE HA 2 81 LEU MD2 2.386 . 3.097 1.683 1.631 1.717 0.044 2 0 "[ . 1]" 3
321 1 43 PHE HB2 1 81 LEU MD2 2.509 . 3.296 1.749 1.716 1.771 0.006 2 0 "[ . 1]" 3
322 2 43 PHE HB2 2 81 LEU MD2 2.509 . 3.296 1.750 1.717 1.772 0.005 2 0 "[ . 1]" 3
323 1 73 VAL HB 1 81 LEU MD2 2.824 . 3.821 3.752 3.735 3.792 . 0 0 "[ . 1]" 3
324 2 73 VAL HB 2 81 LEU MD2 2.824 . 3.821 3.752 3.736 3.792 . 0 0 "[ . 1]" 3
325 1 73 VAL MG2 1 81 LEU MD2 2.042 . 2.563 2.035 1.986 2.126 . 0 0 "[ . 1]" 3
326 2 73 VAL MG2 2 81 LEU MD2 2.042 . 2.563 2.034 1.985 2.125 . 0 0 "[ . 1]" 3
327 1 46 LYS QG 1 72 GLU QG 2.946 . 3.559 2.849 2.730 2.978 . 0 0 "[ . 1]" 3
328 2 46 LYS QG 2 72 GLU QG 2.946 . 3.559 2.848 2.729 2.979 . 0 0 "[ . 1]" 3
329 1 38 LYS H 1 38 LYS QG 2.488 . 3.262 2.033 1.661 2.783 0.053 3 0 "[ . 1]" 3
330 2 38 LYS H 2 38 LYS QG 2.488 . 3.262 2.033 1.662 2.787 0.052 3 0 "[ . 1]" 3
331 1 84 SER H 1 86 ARG QG 3.172 . 4.430 4.282 3.997 4.417 . 0 0 "[ . 1]" 3
332 2 84 SER H 2 86 ARG QG 3.172 . 4.430 4.282 3.997 4.417 . 0 0 "[ . 1]" 3
333 1 37 VAL QG 1 38 LYS QE 2.454 . 3.207 2.712 2.089 3.016 . 0 0 "[ . 1]" 3
334 2 37 VAL QG 2 38 LYS QE 2.454 . 3.207 2.708 2.089 3.001 . 0 0 "[ . 1]" 3
335 1 47 ILE HA 1 71 PHE HD2 3.748 . 5.504 4.555 4.494 4.610 . 0 0 "[ . 1]" 3
336 2 47 ILE HA 2 71 PHE HD2 3.748 . 5.504 4.555 4.495 4.610 . 0 0 "[ . 1]" 3
337 1 47 ILE HA 1 47 ILE HG13 3.113 . 4.324 3.885 3.866 3.912 . 0 0 "[ . 1]" 3
338 2 47 ILE HA 2 47 ILE HG13 3.113 . 4.324 3.885 3.865 3.913 . 0 0 "[ . 1]" 3
339 1 40 PHE HD2 1 47 ILE MD 2.683 . 3.583 3.061 2.971 3.160 . 0 0 "[ . 1]" 3
340 2 40 PHE HD2 2 47 ILE MD 2.683 . 3.583 3.061 2.970 3.161 . 0 0 "[ . 1]" 3
341 1 47 ILE MG 1 48 HIS HD1 3.318 . 4.694 4.454 4.392 4.486 . 0 0 "[ . 1]" 3
342 2 47 ILE MG 2 48 HIS HD1 3.318 . 4.694 4.454 4.392 4.486 . 0 0 "[ . 1]" 3
343 1 47 ILE MG 1 72 GLU H 3.236 . 4.545 4.314 4.247 4.367 . 0 0 "[ . 1]" 3
344 2 47 ILE MG 2 72 GLU H 3.236 . 4.545 4.314 4.247 4.368 . 0 0 "[ . 1]" 3
345 1 71 PHE HA 1 71 PHE HD1 3.198 . 4.477 4.022 3.925 4.069 . 0 0 "[ . 1]" 3
346 2 71 PHE HA 2 71 PHE HD1 3.198 . 4.477 4.022 3.925 4.066 . 0 0 "[ . 1]" 3
347 1 51 GLU QG 1 68 PHE QD 3.201 . 4.482 3.004 2.686 3.265 . 0 0 "[ . 1]" 3
348 2 51 GLU QG 2 68 PHE QD 3.201 . 4.482 3.004 2.686 3.265 . 0 0 "[ . 1]" 3
349 1 52 THR H 1 52 THR HB 4.108 . 6.217 2.659 2.419 2.904 . 0 0 "[ . 1]" 3
350 2 52 THR H 2 52 THR HB 4.108 . 6.217 2.659 2.418 2.902 . 0 0 "[ . 1]" 3
351 1 52 THR H 1 52 THR MG 2.696 . 3.604 3.021 2.362 3.511 . 0 0 "[ . 1]" 3
352 2 52 THR H 2 52 THR MG 2.696 . 3.604 3.021 2.364 3.513 . 0 0 "[ . 1]" 3
353 1 52 THR MG 1 53 ARG HA 2.293 . 2.950 3.048 2.874 3.654 0.704 2 1 "[ + . 1]" 3
354 2 52 THR MG 2 53 ARG HA 2.293 . 2.950 3.048 2.875 3.654 0.704 2 1 "[ + . 1]" 3
355 1 23 PHE HB2 1 92 VAL MG2 2.252 . 2.886 2.073 1.333 2.328 0.583 9 1 "[ . +1]" 3
356 2 23 PHE HB2 2 92 VAL MG2 2.252 . 2.886 2.074 1.333 2.326 0.583 9 1 "[ . +1]" 3
357 1 25 LEU HA 1 25 LEU MD1 2.561 . 3.381 2.378 1.869 3.286 . 0 0 "[ . 1]" 3
358 2 25 LEU HA 2 25 LEU MD1 2.561 . 3.381 2.378 1.867 3.286 . 0 0 "[ . 1]" 3
359 1 53 ARG HA 1 53 ARG HB3 2.456 . 3.210 2.575 2.319 3.027 . 0 0 "[ . 1]" 3
360 2 53 ARG HA 2 53 ARG HB3 2.456 . 3.210 2.575 2.317 3.028 . 0 0 "[ . 1]" 3
361 1 25 LEU HA 1 25 LEU HB3 2.734 . 3.668 2.359 2.251 2.494 . 0 0 "[ . 1]" 3
362 2 25 LEU HA 2 25 LEU HB3 2.734 . 3.668 2.359 2.252 2.493 . 0 0 "[ . 1]" 3
363 1 54 PRO HB3 1 66 GLU H 4.105 . 6.212 5.422 4.228 6.401 0.189 10 0 "[ . 1]" 3
364 2 54 PRO HB3 2 66 GLU H 4.105 . 6.212 5.422 4.226 6.399 0.187 10 0 "[ . 1]" 3
365 1 54 PRO HB2 1 54 PRO HD2 2.393 . 3.109 3.081 2.969 3.135 0.026 2 0 "[ . 1]" 3
366 2 54 PRO HB2 2 54 PRO HD2 2.393 . 3.109 3.081 2.967 3.136 0.027 2 0 "[ . 1]" 3
367 1 73 VAL MG1 1 74 PRO HB3 4.007 . 6.014 4.547 4.517 4.612 . 0 0 "[ . 1]" 3
368 2 73 VAL MG1 2 74 PRO HB3 4.007 . 6.014 4.547 4.517 4.610 . 0 0 "[ . 1]" 3
369 1 55 ALA HA 1 66 GLU H 3.542 . 5.111 4.357 2.873 5.280 0.169 1 0 "[ . 1]" 3
370 2 55 ALA HA 2 66 GLU H 3.542 . 5.111 4.357 2.872 5.278 0.167 1 0 "[ . 1]" 3
371 1 55 ALA MB 1 64 HIS HD2 3.138 . 4.369 3.380 2.068 4.174 . 0 0 "[ . 1]" 3
372 2 55 ALA MB 2 64 HIS HD2 3.138 . 4.369 3.380 2.067 4.174 . 0 0 "[ . 1]" 3
373 1 47 ILE MG 1 71 PHE H 3.328 . 4.712 4.397 4.303 4.466 . 0 0 "[ . 1]" 3
374 2 47 ILE MG 2 71 PHE H 3.328 . 4.712 4.397 4.303 4.465 . 0 0 "[ . 1]" 3
375 1 56 GLN HB3 1 56 GLN HG3 2.335 . 3.016 2.949 2.728 3.001 . 0 0 "[ . 1]" 3
376 2 56 GLN HB3 2 56 GLN HG3 2.335 . 3.016 2.949 2.729 3.002 . 0 0 "[ . 1]" 3
377 1 56 GLN HG2 1 60 ALA MB 3.507 . 5.044 4.388 3.722 4.833 . 0 0 "[ . 1]" 3
378 2 56 GLN HG2 2 60 ALA MB 3.507 . 5.044 4.388 3.719 4.833 . 0 0 "[ . 1]" 3
379 1 56 GLN HB3 1 56 GLN HG2 2.257 . 2.894 2.464 2.264 2.893 . 0 0 "[ . 1]" 3
380 2 56 GLN HB3 2 56 GLN HG2 2.257 . 2.894 2.464 2.264 2.895 0.001 1 0 "[ . 1]" 3
381 1 56 GLN HG3 1 60 ALA MB 3.530 . 5.087 4.459 3.644 4.940 . 0 0 "[ . 1]" 3
382 2 56 GLN HG3 2 60 ALA MB 3.530 . 5.087 4.459 3.644 4.939 . 0 0 "[ . 1]" 3
383 1 57 ARG H 1 57 ARG HD3 3.156 . 4.401 3.717 2.320 5.052 0.651 5 1 "[ + 1]" 3
384 2 57 ARG H 2 57 ARG HD3 3.156 . 4.401 3.717 2.318 5.053 0.652 5 1 "[ + 1]" 3
385 1 13 ARG HB2 1 18 VAL MG2 2.693 . 3.599 2.931 2.248 3.327 . 0 0 "[ . 1]" 3
386 2 13 ARG HB2 2 18 VAL MG2 2.693 . 3.599 2.931 2.245 3.327 . 0 0 "[ . 1]" 3
387 1 58 PRO HG3 1 59 LEU H 3.105 . 4.310 3.632 3.277 4.384 0.074 5 0 "[ . 1]" 3
388 2 58 PRO HG3 2 59 LEU H 3.105 . 4.310 3.632 3.277 4.384 0.074 5 0 "[ . 1]" 3
389 1 54 PRO HD3 1 65 LEU MD1 3.412 . 4.868 3.319 2.525 4.235 . 0 0 "[ . 1]" 3
390 2 54 PRO HD3 2 65 LEU MD1 3.412 . 4.868 3.320 2.528 4.234 . 0 0 "[ . 1]" 3
391 1 54 PRO HD2 1 65 LEU MD1 3.564 . 5.152 4.240 3.688 4.816 . 0 0 "[ . 1]" 3
392 2 54 PRO HD2 2 65 LEU MD1 3.564 . 5.152 4.240 3.689 4.816 . 0 0 "[ . 1]" 3
393 1 59 LEU HB2 1 62 SER QB 3.506 . 5.043 3.668 2.432 4.819 . 0 0 "[ . 1]" 3
394 2 59 LEU HB2 2 62 SER QB 3.506 . 5.043 3.668 2.431 4.819 . 0 0 "[ . 1]" 3
395 1 59 LEU HB3 1 62 SER QB 3.275 . 4.616 3.336 1.952 4.723 0.107 4 0 "[ . 1]" 3
396 2 59 LEU HB3 2 62 SER QB 3.275 . 4.616 3.336 1.952 4.723 0.107 4 0 "[ . 1]" 3
397 1 22 LEU H 1 22 LEU QD 2.330 . 3.008 2.949 2.907 2.984 . 0 0 "[ . 1]" 3
398 2 22 LEU H 2 22 LEU QD 2.330 . 3.008 2.949 2.907 2.983 . 0 0 "[ . 1]" 3
399 1 50 LEU MD1 1 51 GLU H 2.872 . 3.903 3.089 3.036 3.141 . 0 0 "[ . 1]" 3
400 2 50 LEU MD1 2 51 GLU H 2.872 . 3.903 3.089 3.037 3.141 . 0 0 "[ . 1]" 3
401 1 16 ASN HD22 1 18 VAL MG2 2.175 . 2.766 2.376 2.169 2.540 . 0 0 "[ . 1]" 3
402 2 16 ASN HD22 2 18 VAL MG2 2.175 . 2.766 2.376 2.169 2.540 . 0 0 "[ . 1]" 3
403 1 46 LYS HA 1 47 ILE H 2.030 . 2.545 2.158 2.136 2.172 . 0 0 "[ . 1]" 3
404 2 46 LYS HA 2 47 ILE H 2.030 . 2.545 2.158 2.135 2.173 . 0 0 "[ . 1]" 3
405 1 11 GLU HA 1 11 GLU QB 2.181 . 2.776 2.155 2.099 2.180 . 0 0 "[ . 1]" 3
406 2 11 GLU HA 2 11 GLU QB 2.181 . 2.776 2.154 2.100 2.180 . 0 0 "[ . 1]" 3
407 1 66 GLU HB3 1 67 TYR QD 3.819 . 5.642 5.765 5.389 6.483 0.841 2 2 "[-+ . 1]" 3
408 2 66 GLU HB3 2 67 TYR QD 3.819 . 5.642 5.765 5.390 6.482 0.840 2 2 "[-+ . 1]" 3
409 1 13 ARG HB2 1 13 ARG HD2 2.534 . 3.337 2.595 2.397 2.707 . 0 0 "[ . 1]" 3
410 2 13 ARG HB2 2 13 ARG HD2 2.534 . 3.337 2.596 2.396 2.706 . 0 0 "[ . 1]" 3
411 1 12 GLU HA 1 12 GLU QG 2.490 . 3.265 2.566 2.330 3.115 . 0 0 "[ . 1]" 3
412 2 12 GLU HA 2 12 GLU QG 2.490 . 3.265 2.566 2.330 3.114 . 0 0 "[ . 1]" 3
413 1 67 TYR HA 1 67 TYR QD 3.202 . 4.484 3.157 2.595 3.638 . 0 0 "[ . 1]" 3
414 2 67 TYR HA 2 67 TYR QD 3.202 . 4.484 3.158 2.595 3.637 . 0 0 "[ . 1]" 3
415 1 67 TYR HA 1 67 TYR QB 3.134 . 4.362 2.211 2.134 2.539 . 0 0 "[ . 1]" 3
416 2 67 TYR HA 2 67 TYR QB 3.134 . 4.362 2.212 2.134 2.540 . 0 0 "[ . 1]" 3
417 1 22 LEU HB3 1 68 PHE HA 3.579 . 5.180 4.071 3.863 4.263 . 0 0 "[ . 1]" 3
418 2 22 LEU HB3 2 68 PHE HA 3.579 . 5.180 4.073 3.864 4.266 . 0 0 "[ . 1]" 3
419 1 22 LEU HG 1 68 PHE HA 3.302 . 4.665 3.048 2.890 3.270 . 0 0 "[ . 1]" 3
420 2 22 LEU HG 2 68 PHE HA 3.302 . 4.665 3.048 2.888 3.270 . 0 0 "[ . 1]" 3
421 1 68 PHE HA 1 69 VAL HB 3.613 . 5.244 4.815 4.718 4.899 . 0 0 "[ . 1]" 3
422 2 68 PHE HA 2 69 VAL HB 3.613 . 5.244 4.816 4.720 4.898 . 0 0 "[ . 1]" 3
423 1 51 GLU H 1 69 VAL HA 3.230 . 4.534 2.820 2.642 2.922 . 0 0 "[ . 1]" 3
424 2 51 GLU H 2 69 VAL HA 3.230 . 4.534 2.820 2.642 2.923 . 0 0 "[ . 1]" 3
425 1 68 PHE QD 1 69 VAL HA 3.479 . 4.992 4.077 3.973 4.315 . 0 0 "[ . 1]" 3
426 2 68 PHE QD 2 69 VAL HA 3.479 . 4.992 4.077 3.975 4.314 . 0 0 "[ . 1]" 3
427 1 45 ALA HA 1 73 VAL HA 3.367 . 4.784 3.105 3.023 3.246 . 0 0 "[ . 1]" 3
428 2 45 ALA HA 2 73 VAL HA 3.367 . 4.784 3.106 3.024 3.244 . 0 0 "[ . 1]" 3
429 1 40 PHE HE2 1 69 VAL HB 3.614 . 5.247 4.827 4.474 5.106 . 0 0 "[ . 1]" 3
430 2 40 PHE HE2 2 69 VAL HB 3.614 . 5.247 4.826 4.474 5.105 . 0 0 "[ . 1]" 3
431 1 49 HIS H 1 69 VAL MG1 3.097 . 4.296 3.996 3.887 4.060 . 0 0 "[ . 1]" 3
432 2 49 HIS H 2 69 VAL MG1 3.097 . 4.296 3.996 3.887 4.060 . 0 0 "[ . 1]" 3
433 1 69 VAL MG1 1 71 PHE HB3 2.419 . 3.151 3.001 2.786 3.063 . 0 0 "[ . 1]" 3
434 2 69 VAL MG1 2 71 PHE HB3 2.419 . 3.151 3.001 2.787 3.063 . 0 0 "[ . 1]" 3
435 1 21 LEU H 1 70 ARG HA 3.682 . 5.376 3.915 3.761 4.181 . 0 0 "[ . 1]" 3
436 2 21 LEU H 2 70 ARG HA 3.682 . 5.376 3.916 3.763 4.181 . 0 0 "[ . 1]" 3
437 1 47 ILE MD 1 71 PHE HB3 3.309 . 4.677 2.677 2.505 2.803 . 0 0 "[ . 1]" 3
438 2 47 ILE MD 2 71 PHE HB3 3.309 . 4.677 2.677 2.506 2.804 . 0 0 "[ . 1]" 3
439 1 36 ALA MB 1 40 PHE HE2 2.940 . 4.021 3.567 3.287 3.756 . 0 0 "[ . 1]" 3
440 2 36 ALA MB 2 40 PHE HE2 2.940 . 4.021 3.567 3.290 3.757 . 0 0 "[ . 1]" 3
441 1 68 PHE HE1 1 95 ALA MB 2.354 . 3.047 2.086 1.833 2.250 . 0 0 "[ . 1]" 3
442 2 68 PHE HE1 2 95 ALA MB 2.354 . 3.047 2.086 1.832 2.249 . 0 0 "[ . 1]" 3
443 1 10 PHE QD 1 19 LEU QD 2.332 . 3.012 2.637 2.207 2.803 . 0 0 "[ . 1]" 3
444 2 10 PHE QD 2 19 LEU QD 2.332 . 3.012 2.638 2.207 2.804 . 0 0 "[ . 1]" 3
445 1 10 PHE QE 1 12 GLU QG 2.613 . 3.467 2.619 1.951 2.962 . 0 0 "[ . 1]" 3
446 2 10 PHE QE 2 12 GLU QG 2.613 . 3.467 2.620 1.953 2.962 . 0 0 "[ . 1]" 3
447 1 23 PHE QD 1 92 VAL HB 3.480 . 4.994 4.450 3.979 4.925 . 0 0 "[ . 1]" 3
448 2 23 PHE QD 2 92 VAL HB 3.480 . 4.994 4.450 3.977 4.925 . 0 0 "[ . 1]" 3
449 1 63 PRO HB2 1 63 PRO HD2 2.610 . 3.461 3.047 2.942 3.285 . 0 0 "[ . 1]" 3
450 2 63 PRO HB2 2 63 PRO HD2 2.610 . 3.461 3.047 2.942 3.286 . 0 0 "[ . 1]" 3
451 1 23 PHE QD 1 92 VAL MG2 2.215 . 2.828 2.101 1.627 2.562 . 0 0 "[ . 1]" 3
452 2 23 PHE QD 2 92 VAL MG2 2.215 . 2.828 2.102 1.626 2.562 . 0 0 "[ . 1]" 3
453 1 23 PHE HA 1 92 VAL MG2 2.668 . 3.558 2.668 1.647 3.741 0.183 10 0 "[ . 1]" 3
454 2 23 PHE HA 2 92 VAL MG2 2.668 . 3.558 2.669 1.649 3.741 0.183 10 0 "[ . 1]" 3
455 1 23 PHE HB2 1 92 VAL MG1 2.689 . 3.593 2.612 1.751 3.272 0.034 10 0 "[ . 1]" 3
456 2 23 PHE HB2 2 92 VAL MG1 2.689 . 3.593 2.612 1.751 3.271 0.034 10 0 "[ . 1]" 3
457 1 23 PHE QD 1 89 SER QB 3.346 . 4.746 2.907 1.931 4.237 0.066 10 0 "[ . 1]" 3
458 2 23 PHE QD 2 89 SER QB 3.346 . 4.746 2.907 1.931 4.237 0.066 10 0 "[ . 1]" 3
459 1 27 GLY H 1 28 THR MG 3.372 . 4.794 4.043 3.050 4.645 . 0 0 "[ . 1]" 3
460 2 27 GLY H 2 28 THR MG 3.372 . 4.794 4.043 3.051 4.645 . 0 0 "[ . 1]" 3
461 1 45 ALA HA 1 73 VAL MG1 2.812 . 3.800 3.318 3.256 3.367 . 0 0 "[ . 1]" 3
462 2 45 ALA HA 2 73 VAL MG1 2.812 . 3.800 3.319 3.261 3.366 . 0 0 "[ . 1]" 3
463 1 21 LEU MD2 1 71 PHE HD1 2.467 . 3.228 3.249 3.200 3.337 0.109 2 0 "[ . 1]" 3
464 2 21 LEU MD2 2 71 PHE HD1 2.467 . 3.228 3.249 3.201 3.337 0.109 2 0 "[ . 1]" 3
465 1 23 PHE QD 1 25 LEU MD1 2.589 . 3.427 3.173 2.885 3.381 . 0 0 "[ . 1]" 3
466 2 23 PHE QD 2 25 LEU MD1 2.589 . 3.427 3.173 2.884 3.379 . 0 0 "[ . 1]" 3
467 1 23 PHE HE1 1 25 LEU MD1 2.503 . 3.286 2.705 1.795 3.573 0.287 10 0 "[ . 1]" 3
468 2 23 PHE HE1 2 25 LEU MD1 2.503 . 3.286 2.704 1.793 3.573 0.287 10 0 "[ . 1]" 3
469 1 24 SER HA 1 25 LEU MD2 3.122 . 4.340 2.774 2.438 3.524 . 0 0 "[ . 1]" 3
470 2 24 SER HA 2 25 LEU MD2 3.122 . 4.340 2.774 2.436 3.524 . 0 0 "[ . 1]" 3
471 1 23 PHE HA 1 92 VAL HA 3.059 . 4.229 4.122 2.823 4.588 0.359 5 0 "[ . 1]" 3
472 2 23 PHE HA 2 92 VAL HA 3.059 . 4.229 4.123 2.824 4.589 0.360 5 0 "[ . 1]" 3
473 1 23 PHE HA 1 23 PHE HB3 2.817 . 3.809 2.980 2.923 3.031 . 0 0 "[ . 1]" 3
474 2 23 PHE HA 2 23 PHE HB3 2.817 . 3.809 2.980 2.920 3.031 . 0 0 "[ . 1]" 3
475 1 51 GLU H 1 68 PHE HA 3.776 . 5.559 5.108 5.007 5.221 . 0 0 "[ . 1]" 3
476 2 51 GLU H 2 68 PHE HA 3.776 . 5.559 5.107 5.006 5.222 . 0 0 "[ . 1]" 3
477 1 46 LYS QD 1 47 ILE H 3.097 . 4.296 3.926 3.749 4.239 . 0 0 "[ . 1]" 3
478 2 46 LYS QD 2 47 ILE H 3.097 . 4.296 3.925 3.750 4.238 . 0 0 "[ . 1]" 3
479 1 50 LEU HB2 1 69 VAL HA 4.159 . 6.321 4.257 3.895 4.472 . 0 0 "[ . 1]" 3
480 2 50 LEU HB2 2 69 VAL HA 4.159 . 6.321 4.257 3.895 4.473 . 0 0 "[ . 1]" 3
481 1 50 LEU HB3 1 69 VAL HA 4.322 . 6.657 5.215 5.009 5.394 . 0 0 "[ . 1]" 3
482 2 50 LEU HB3 2 69 VAL HA 4.322 . 6.657 5.215 5.008 5.393 . 0 0 "[ . 1]" 3
483 1 51 GLU HA 1 68 PHE H 4.060 . 6.120 5.401 5.113 5.583 . 0 0 "[ . 1]" 3
484 2 51 GLU HA 2 68 PHE H 4.060 . 6.120 5.400 5.112 5.580 . 0 0 "[ . 1]" 3
485 1 49 HIS HB3 1 51 GLU QG 3.882 . 5.766 4.504 3.252 5.260 . 0 0 "[ . 1]" 3
486 2 49 HIS HB3 2 51 GLU QG 3.882 . 5.766 4.505 3.252 5.262 . 0 0 "[ . 1]" 3
487 1 53 ARG H 1 53 ARG HB2 3.331 . 4.718 3.705 2.301 4.103 . 0 0 "[ . 1]" 3
488 2 53 ARG H 2 53 ARG HB2 3.331 . 4.718 3.705 2.301 4.102 . 0 0 "[ . 1]" 3
489 1 54 PRO HA 1 66 GLU H 3.896 . 5.793 3.300 2.290 4.342 . 0 0 "[ . 1]" 3
490 2 54 PRO HA 2 66 GLU H 3.896 . 5.793 3.300 2.291 4.339 . 0 0 "[ . 1]" 3
491 1 54 PRO HB2 1 55 ALA H 2.707 . 3.623 3.374 2.889 3.761 0.138 2 0 "[ . 1]" 3
492 2 54 PRO HB2 2 55 ALA H 2.707 . 3.623 3.374 2.889 3.761 0.138 2 0 "[ . 1]" 3
493 1 53 ARG H 1 54 PRO HA 3.522 . 5.073 4.967 4.381 5.251 0.178 2 0 "[ . 1]" 3
494 2 53 ARG H 2 54 PRO HA 3.522 . 5.073 4.967 4.380 5.251 0.178 2 0 "[ . 1]" 3
495 1 37 VAL QG 2 33 LEU H 4.694 . 7.448 4.104 3.114 4.680 . 0 0 "[ . 1]" 3
496 1 51 GLU H 2 52 THR H 4.470 . 5.084 5.045 4.876 5.254 0.170 2 0 "[ . 1]" 3
497 1 52 THR H 2 51 GLU H 4.470 . 5.084 5.041 4.864 5.251 0.167 2 0 "[ . 1]" 3
498 1 34 SER HB3 2 37 VAL QG 3.434 . 4.908 1.783 1.601 1.994 0.359 3 0 "[ . 1]" 3
499 1 37 VAL QG 2 34 SER HB3 3.434 . 4.908 1.793 1.606 1.997 0.354 3 0 "[ . 1]" 3
500 1 34 SER HA 2 37 VAL QG 2.461 . 2.854 2.348 2.206 2.551 . 0 0 "[ . 1]" 3
501 1 37 VAL QG 2 34 SER HA 2.461 . 2.854 2.355 2.228 2.566 . 0 0 "[ . 1]" 3
502 1 50 LEU MD1 2 51 GLU HA 2.916 . 3.979 2.879 2.720 3.075 . 0 0 "[ . 1]" 3
503 1 51 GLU HA 2 50 LEU MD1 2.916 . 3.979 2.882 2.684 3.069 . 0 0 "[ . 1]" 3
504 1 13 ARG H 1 17 ALA H 3.635 . 5.287 4.449 4.368 4.622 . 0 0 "[ . 1]" 3
505 2 13 ARG H 2 17 ALA H 3.635 . 5.287 4.449 4.365 4.622 . 0 0 "[ . 1]" 3
506 1 21 LEU H 1 69 VAL H 2.926 . 3.996 2.932 2.702 3.092 . 0 0 "[ . 1]" 3
507 2 21 LEU H 2 69 VAL H 2.926 . 3.996 2.931 2.702 3.079 . 0 0 "[ . 1]" 3
508 1 14 ASP H 1 15 GLY H 3.030 . 4.177 2.876 2.748 2.940 . 0 0 "[ . 1]" 3
509 2 14 ASP H 2 15 GLY H 3.030 . 4.177 2.876 2.751 2.941 . 0 0 "[ . 1]" 3
510 1 51 GLU H 1 68 PHE H 3.225 . 4.525 4.225 3.663 4.552 0.027 5 0 "[ . 1]" 3
511 2 51 GLU H 2 68 PHE H 3.225 . 4.525 4.224 3.658 4.550 0.025 5 0 "[ . 1]" 3
512 1 17 ALA H 1 75 SER H 2.840 . 3.848 3.367 3.252 3.486 . 0 0 "[ . 1]" 3
513 2 17 ALA H 2 75 SER H 2.840 . 3.848 3.367 3.251 3.484 . 0 0 "[ . 1]" 3
514 1 48 HIS H 1 49 HIS H 2.757 . 3.707 2.455 2.329 2.594 . 0 0 "[ . 1]" 3
515 2 48 HIS H 2 49 HIS H 2.757 . 3.707 2.455 2.326 2.593 . 0 0 "[ . 1]" 3
516 1 78 LEU H 1 78 LEU HB3 2.815 . 3.806 2.664 2.636 2.692 . 0 0 "[ . 1]" 3
517 2 78 LEU H 2 78 LEU HB3 2.815 . 3.806 2.664 2.638 2.692 . 0 0 "[ . 1]" 3
518 1 20 ASN H 1 21 LEU H 3.688 . 5.389 4.472 4.400 4.512 . 0 0 "[ . 1]" 3
519 2 20 ASN H 2 21 LEU H 3.688 . 5.389 4.473 4.400 4.513 . 0 0 "[ . 1]" 3
520 1 21 LEU H 1 95 ALA H 3.581 . 5.184 3.769 3.548 4.157 . 0 0 "[ . 1]" 3
521 2 21 LEU H 2 95 ALA H 3.581 . 5.184 3.768 3.549 4.158 . 0 0 "[ . 1]" 3
522 1 75 SER H 1 76 GLY H 3.010 . 4.142 2.829 2.797 2.873 . 0 0 "[ . 1]" 3
523 2 75 SER H 2 76 GLY H 3.010 . 4.142 2.829 2.796 2.873 . 0 0 "[ . 1]" 3
524 1 13 ARG H 1 18 VAL H 2.925 . 3.995 3.653 3.389 4.175 0.180 8 0 "[ . 1]" 3
525 2 13 ARG H 2 18 VAL H 2.925 . 3.995 3.653 3.387 4.176 0.181 8 0 "[ . 1]" 3
526 1 18 VAL H 1 19 LEU H 3.209 . 4.496 4.349 4.300 4.444 . 0 0 "[ . 1]" 3
527 2 18 VAL H 2 19 LEU H 3.209 . 4.496 4.349 4.299 4.445 . 0 0 "[ . 1]" 3
528 1 19 LEU H 1 71 PHE H 3.234 . 4.541 3.066 2.918 3.195 . 0 0 "[ . 1]" 3
529 2 19 LEU H 2 71 PHE H 3.234 . 4.541 3.066 2.918 3.196 . 0 0 "[ . 1]" 3
530 1 17 ALA H 1 73 VAL H 2.457 . 3.212 2.625 2.535 2.782 . 0 0 "[ . 1]" 3
531 2 17 ALA H 2 73 VAL H 2.457 . 3.212 2.625 2.536 2.782 . 0 0 "[ . 1]" 3
532 1 95 ALA H 1 95 ALA MB 2.165 . 2.751 2.236 2.185 2.295 . 0 0 "[ . 1]" 3
533 2 95 ALA H 2 95 ALA MB 2.165 . 2.751 2.236 2.186 2.296 . 0 0 "[ . 1]" 3
534 1 22 LEU H 1 93 ARG H 2.920 . 3.986 3.790 2.913 4.051 0.065 5 0 "[ . 1]" 3
535 2 22 LEU H 2 93 ARG H 2.920 . 3.986 3.790 2.912 4.050 0.064 5 0 "[ . 1]" 3
536 1 11 GLU H 1 18 VAL H 2.827 . 3.826 3.735 3.272 4.902 1.076 2 1 "[ + . 1]" 3
537 2 11 GLU H 2 18 VAL H 2.827 . 3.826 3.735 3.270 4.901 1.075 2 1 "[ + . 1]" 3
538 1 76 GLY H 1 78 LEU H 3.217 . 4.511 3.567 3.401 3.697 . 0 0 "[ . 1]" 3
539 2 76 GLY H 2 78 LEU H 3.217 . 4.511 3.567 3.401 3.697 . 0 0 "[ . 1]" 3
540 1 53 ARG H 1 66 GLU H 3.631 . 5.279 4.229 3.298 5.292 0.013 2 0 "[ . 1]" 3
541 2 53 ARG H 2 66 GLU H 3.631 . 5.279 4.229 3.300 5.293 0.014 2 0 "[ . 1]" 3
542 1 76 GLY H 1 79 ALA H 4.021 . 6.042 5.388 5.131 5.485 . 0 0 "[ . 1]" 3
543 2 76 GLY H 2 79 ALA H 4.021 . 6.042 5.388 5.132 5.482 . 0 0 "[ . 1]" 3
544 1 13 ARG H 1 16 ASN H 2.513 . 3.302 2.593 2.155 2.778 . 0 0 "[ . 1]" 3
545 2 13 ARG H 2 16 ASN H 2.513 . 3.302 2.593 2.154 2.781 . 0 0 "[ . 1]" 3
546 1 16 ASN H 1 75 SER H 3.057 . 4.225 4.236 4.110 4.361 0.136 8 0 "[ . 1]" 3
547 2 16 ASN H 2 75 SER H 3.057 . 4.225 4.236 4.110 4.361 0.136 8 0 "[ . 1]" 3
548 1 76 GLY H 1 77 ASP H 2.587 . 3.424 2.380 2.164 2.487 . 0 0 "[ . 1]" 3
549 2 76 GLY H 2 77 ASP H 2.587 . 3.424 2.380 2.165 2.484 . 0 0 "[ . 1]" 3
550 1 49 HIS H 1 70 ARG H 2.962 . 4.059 2.914 2.663 3.152 . 0 0 "[ . 1]" 3
551 2 49 HIS H 2 70 ARG H 2.962 . 4.059 2.914 2.664 3.154 . 0 0 "[ . 1]" 3
552 1 93 ARG H 1 94 SER H 3.355 . 4.762 4.399 4.334 4.522 . 0 0 "[ . 1]" 3
553 2 93 ARG H 2 94 SER H 3.355 . 4.762 4.399 4.334 4.523 . 0 0 "[ . 1]" 3
554 1 22 LEU H 1 94 SER H 4.943 . 7.997 4.742 4.478 4.940 . 0 0 "[ . 1]" 3
555 2 22 LEU H 2 94 SER H 4.943 . 7.997 4.742 4.478 4.939 . 0 0 "[ . 1]" 3
556 1 22 LEU H 1 95 ALA H 3.041 . 4.197 3.912 3.581 4.135 . 0 0 "[ . 1]" 3
557 2 22 LEU H 2 95 ALA H 3.041 . 4.197 3.912 3.583 4.136 . 0 0 "[ . 1]" 3
558 1 55 ALA H 1 66 GLU H 3.050 . 4.213 3.706 3.006 4.544 0.331 10 0 "[ . 1]" 3
559 2 55 ALA H 2 66 GLU H 3.050 . 4.213 3.706 3.005 4.543 0.330 10 0 "[ . 1]" 3
560 1 12 GLU H 1 13 ARG H 3.056 . 4.224 4.324 4.223 4.427 0.203 2 0 "[ . 1]" 3
561 2 12 GLU H 2 13 ARG H 3.056 . 4.224 4.324 4.222 4.426 0.202 2 0 "[ . 1]" 3
562 1 81 LEU H 1 82 LEU H 2.794 . 3.770 2.300 2.278 2.323 . 0 0 "[ . 1]" 3
563 2 81 LEU H 2 82 LEU H 2.794 . 3.770 2.300 2.280 2.325 . 0 0 "[ . 1]" 3
564 1 46 LYS H 1 72 GLU H 2.922 . 3.989 3.277 3.085 3.489 . 0 0 "[ . 1]" 3
565 2 46 LYS H 2 72 GLU H 2.922 . 3.989 3.276 3.085 3.489 . 0 0 "[ . 1]" 3
566 1 72 GLU H 1 73 VAL H 3.719 . 5.447 4.401 4.369 4.446 . 0 0 "[ . 1]" 3
567 2 72 GLU H 2 73 VAL H 3.719 . 5.447 4.401 4.368 4.445 . 0 0 "[ . 1]" 3
568 1 79 ALA H 1 82 LEU H 4.006 . 6.012 4.718 4.674 4.763 . 0 0 "[ . 1]" 3
569 2 79 ALA H 2 82 LEU H 4.006 . 6.012 4.718 4.675 4.764 . 0 0 "[ . 1]" 3
570 1 85 VAL H 1 86 ARG H 2.683 . 3.583 2.550 2.474 2.652 . 0 0 "[ . 1]" 3
571 2 85 VAL H 2 86 ARG H 2.683 . 3.583 2.549 2.474 2.653 . 0 0 "[ . 1]" 3
572 1 15 GLY H 1 16 ASN H 2.298 . 2.958 2.190 1.966 2.288 . 0 0 "[ . 1]" 3
573 2 15 GLY H 2 16 ASN H 2.298 . 2.958 2.190 1.967 2.289 . 0 0 "[ . 1]" 3
574 1 23 PHE H 1 67 TYR H 3.354 . 4.760 2.546 1.679 3.450 0.269 10 0 "[ . 1]" 3
575 2 23 PHE H 2 67 TYR H 3.354 . 4.760 2.547 1.680 3.450 0.268 10 0 "[ . 1]" 3
576 1 77 ASP H 1 79 ALA H 3.602 . 5.224 4.741 4.638 4.819 . 0 0 "[ . 1]" 3
577 2 77 ASP H 2 79 ALA H 3.602 . 5.224 4.742 4.639 4.819 . 0 0 "[ . 1]" 3
578 1 84 SER H 1 85 VAL H 2.563 . 3.384 2.499 2.464 2.531 . 0 0 "[ . 1]" 3
579 2 84 SER H 2 85 VAL H 2.563 . 3.384 2.498 2.464 2.530 . 0 0 "[ . 1]" 3
580 1 42 THR H 1 43 PHE H 3.646 . 5.308 2.772 2.694 2.892 . 0 0 "[ . 1]" 3
581 2 42 THR H 2 43 PHE H 3.646 . 5.308 2.772 2.694 2.891 . 0 0 "[ . 1]" 3
582 1 89 SER H 1 90 ASP H 3.729 . 5.468 4.446 4.190 4.568 . 0 0 "[ . 1]" 3
583 2 89 SER H 2 90 ASP H 3.729 . 5.468 4.446 4.190 4.569 . 0 0 "[ . 1]" 3
584 1 82 LEU H 1 83 SER H 2.561 . 3.381 2.606 2.540 2.666 . 0 0 "[ . 1]" 3
585 2 82 LEU H 2 83 SER H 2.561 . 3.381 2.606 2.536 2.666 . 0 0 "[ . 1]" 3
586 1 94 SER H 1 95 ALA H 3.206 . 4.491 4.554 4.534 4.578 0.087 10 0 "[ . 1]" 3
587 2 94 SER H 2 95 ALA H 3.206 . 4.491 4.554 4.533 4.579 0.088 10 0 "[ . 1]" 3
588 1 11 GLU H 1 12 GLU H 3.430 . 4.901 4.265 3.916 4.444 . 0 0 "[ . 1]" 3
589 2 11 GLU H 2 12 GLU H 3.430 . 4.901 4.265 3.914 4.444 . 0 0 "[ . 1]" 3
590 1 45 ALA H 1 46 LYS H 3.408 . 4.859 4.616 4.584 4.648 . 0 0 "[ . 1]" 3
591 2 45 ALA H 2 46 LYS H 3.408 . 4.859 4.615 4.583 4.648 . 0 0 "[ . 1]" 3
592 1 19 LEU H 1 73 VAL H 3.793 . 5.592 5.201 5.051 5.396 . 0 0 "[ . 1]" 3
593 2 19 LEU H 2 73 VAL H 3.793 . 5.592 5.201 5.050 5.395 . 0 0 "[ . 1]" 3
594 1 90 ASP H 1 91 ASP H 3.002 . 4.128 2.467 1.714 3.398 0.162 8 0 "[ . 1]" 3
595 2 90 ASP H 2 91 ASP H 3.002 . 4.128 2.467 1.715 3.397 0.161 8 0 "[ . 1]" 3
596 1 91 ASP H 1 92 VAL H 2.671 . 3.563 2.643 1.635 3.330 0.144 9 0 "[ . 1]" 3
597 2 91 ASP H 2 92 VAL H 2.671 . 3.563 2.642 1.634 3.328 0.145 9 0 "[ . 1]" 3
598 1 7 ALA H 1 8 VAL H 2.351 . 3.042 2.205 1.647 2.826 0.013 6 0 "[ . 1]" 3
599 2 7 ALA H 2 8 VAL H 2.351 . 3.042 2.205 1.648 2.825 0.012 6 0 "[ . 1]" 3
600 1 8 VAL H 1 9 VAL H 3.055 . 4.222 3.918 3.145 4.469 0.247 9 0 "[ . 1]" 3
601 2 8 VAL H 2 9 VAL H 3.055 . 4.222 3.918 3.145 4.471 0.249 9 0 "[ . 1]" 3
602 1 92 VAL H 1 93 ARG H 3.827 . 5.658 4.420 4.328 4.500 . 0 0 "[ . 1]" 3
603 2 92 VAL H 2 93 ARG H 3.827 . 5.658 4.420 4.329 4.501 . 0 0 "[ . 1]" 3
604 1 16 ASN H 1 17 ALA H 3.490 . 5.013 4.339 4.294 4.382 . 0 0 "[ . 1]" 3
605 2 16 ASN H 2 17 ALA H 3.490 . 5.013 4.339 4.293 4.383 . 0 0 "[ . 1]" 3
606 1 10 PHE H 1 11 GLU H 3.642 . 5.300 4.334 4.194 4.398 . 0 0 "[ . 1]" 3
607 2 10 PHE H 2 11 GLU H 3.642 . 5.300 4.334 4.193 4.397 . 0 0 "[ . 1]" 3
608 1 79 ALA H 1 80 ALA H 2.432 . 3.171 2.733 2.721 2.754 . 0 0 "[ . 1]" 3
609 2 79 ALA H 2 80 ALA H 2.432 . 3.171 2.734 2.722 2.755 . 0 0 "[ . 1]" 3
610 1 44 GLU H 1 45 ALA H 2.542 . 3.350 2.839 2.798 2.923 . 0 0 "[ . 1]" 3
611 2 44 GLU H 2 45 ALA H 2.542 . 3.350 2.838 2.797 2.925 . 0 0 "[ . 1]" 3
612 1 86 ARG H 1 87 ARG H 2.889 . 3.932 2.180 2.106 2.240 . 0 0 "[ . 1]" 3
613 2 86 ARG H 2 87 ARG H 2.889 . 3.932 2.180 2.108 2.240 . 0 0 "[ . 1]" 3
614 1 6 GLU H 1 7 ALA H 3.200 . 4.480 4.265 2.819 4.563 0.083 2 0 "[ . 1]" 3
615 2 6 GLU H 2 7 ALA H 3.200 . 4.480 4.265 2.818 4.563 0.083 2 0 "[ . 1]" 3
616 1 80 ALA H 1 81 LEU H 2.406 . 3.130 2.729 2.718 2.743 . 0 0 "[ . 1]" 3
617 2 80 ALA H 2 81 LEU H 2.406 . 3.130 2.729 2.719 2.743 . 0 0 "[ . 1]" 3
618 1 79 ALA H 1 81 LEU H 3.409 . 4.862 4.719 4.702 4.740 . 0 0 "[ . 1]" 3
619 2 79 ALA H 2 81 LEU H 3.409 . 4.862 4.719 4.701 4.740 . 0 0 "[ . 1]" 3
620 1 84 SER H 1 86 ARG H 3.100 . 4.301 3.719 3.612 3.929 . 0 0 "[ . 1]" 3
621 2 84 SER H 2 86 ARG H 3.100 . 4.301 3.719 3.611 3.931 . 0 0 "[ . 1]" 3
622 1 16 ASN H 1 16 ASN HD21 2.653 . 3.533 3.430 3.060 3.593 0.060 6 0 "[ . 1]" 3
623 2 16 ASN H 2 16 ASN HD21 2.653 . 3.533 3.431 3.064 3.593 0.060 6 0 "[ . 1]" 3
624 1 5 LEU H 1 6 GLU H 2.164 . 2.749 2.501 2.036 2.812 0.063 9 0 "[ . 1]" 3
625 2 5 LEU H 2 6 GLU H 2.164 . 2.749 2.501 2.035 2.813 0.064 9 0 "[ . 1]" 3
626 1 87 ARG H 1 88 VAL H 2.771 . 3.731 2.304 2.226 2.362 . 0 0 "[ . 1]" 3
627 2 87 ARG H 2 88 VAL H 2.771 . 3.731 2.304 2.223 2.361 . 0 0 "[ . 1]" 3
628 1 20 ASN H 1 95 ALA H 4.183 . 6.370 3.554 3.266 3.875 . 0 0 "[ . 1]" 3
629 2 20 ASN H 2 95 ALA H 4.183 . 6.370 3.553 3.267 3.876 . 0 0 "[ . 1]" 3
630 1 20 ASN H 1 20 ASN HD21 3.880 . 5.762 3.548 1.898 5.034 0.100 10 0 "[ . 1]" 3
631 2 20 ASN H 2 20 ASN HD21 3.880 . 5.762 3.547 1.899 5.033 0.099 10 0 "[ . 1]" 3
632 1 87 ARG H 1 89 SER H 2.836 . 3.841 3.807 3.615 3.917 0.076 4 0 "[ . 1]" 3
633 2 87 ARG H 2 89 SER H 2.836 . 3.841 3.807 3.614 3.917 0.076 4 0 "[ . 1]" 3
634 1 85 VAL H 1 87 ARG H 3.619 . 5.256 3.684 3.622 3.735 . 0 0 "[ . 1]" 3
635 2 85 VAL H 2 87 ARG H 3.619 . 5.256 3.684 3.623 3.734 . 0 0 "[ . 1]" 3
636 1 43 PHE HD2 1 81 LEU H 3.300 . 4.662 3.478 3.445 3.553 . 0 0 "[ . 1]" 3
637 2 43 PHE HD2 2 81 LEU H 3.300 . 4.662 3.478 3.447 3.551 . 0 0 "[ . 1]" 3
638 1 78 LEU H 1 80 ALA H 3.418 . 4.879 3.569 3.531 3.598 . 0 0 "[ . 1]" 3
639 2 78 LEU H 2 80 ALA H 3.418 . 4.879 3.569 3.533 3.597 . 0 0 "[ . 1]" 3
640 1 43 PHE H 1 45 ALA H 3.626 . 5.269 3.578 3.551 3.608 . 0 0 "[ . 1]" 3
641 2 43 PHE H 2 45 ALA H 3.626 . 5.269 3.578 3.551 3.606 . 0 0 "[ . 1]" 3
642 1 34 SER H 1 35 ARG H 4.824 . 7.733 2.766 2.495 2.842 . 0 0 "[ . 1]" 3
643 2 34 SER H 2 35 ARG H 4.824 . 7.733 2.767 2.495 2.845 . 0 0 "[ . 1]" 3
644 1 88 VAL H 1 89 SER H 2.382 . 3.091 2.095 1.830 2.307 . 0 0 "[ . 1]" 3
645 2 88 VAL H 2 89 SER H 2.382 . 3.091 2.096 1.834 2.306 . 0 0 "[ . 1]" 3
646 1 43 PHE H 1 44 GLU H 2.635 . 3.503 2.664 2.585 2.753 . 0 0 "[ . 1]" 3
647 2 43 PHE H 2 44 GLU H 2.635 . 3.503 2.664 2.588 2.751 . 0 0 "[ . 1]" 3
648 1 16 ASN H 1 16 ASN HD22 3.306 . 4.672 4.004 3.832 4.351 . 0 0 "[ . 1]" 3
649 2 16 ASN H 2 16 ASN HD22 3.306 . 4.672 4.004 3.836 4.347 . 0 0 "[ . 1]" 3
650 1 68 PHE QD 1 69 VAL H 3.071 . 4.250 1.967 1.861 2.179 0.031 7 0 "[ . 1]" 3
651 2 68 PHE QD 2 69 VAL H 3.071 . 4.250 1.967 1.861 2.178 0.031 6 0 "[ . 1]" 3
652 1 19 LEU H 1 71 PHE HD1 4.056 . 6.112 4.645 3.884 4.893 . 0 0 "[ . 1]" 3
653 2 19 LEU H 2 71 PHE HD1 4.056 . 6.112 4.645 3.883 4.892 . 0 0 "[ . 1]" 3
654 1 71 PHE H 1 71 PHE HD1 2.663 . 3.549 2.370 2.099 2.533 . 0 0 "[ . 1]" 3
655 2 71 PHE H 2 71 PHE HD1 2.663 . 3.549 2.370 2.097 2.532 . 0 0 "[ . 1]" 3
656 1 21 LEU H 1 68 PHE QD 3.577 . 5.176 3.994 3.691 4.336 . 0 0 "[ . 1]" 3
657 2 21 LEU H 2 68 PHE QD 3.577 . 5.176 3.992 3.692 4.338 . 0 0 "[ . 1]" 3
658 1 22 LEU H 1 68 PHE QD 3.897 . 5.795 5.482 5.307 5.650 . 0 0 "[ . 1]" 3
659 2 22 LEU H 2 68 PHE QD 3.897 . 5.795 5.482 5.307 5.655 . 0 0 "[ . 1]" 3
660 1 68 PHE H 1 68 PHE QD 3.685 . 5.383 4.222 4.189 4.331 . 0 0 "[ . 1]" 3
661 2 68 PHE H 2 68 PHE QD 3.685 . 5.383 4.223 4.189 4.332 . 0 0 "[ . 1]" 3
662 1 10 PHE QD 1 18 VAL H 3.136 . 4.365 4.264 3.922 4.396 0.031 7 0 "[ . 1]" 3
663 2 10 PHE QD 2 18 VAL H 3.136 . 4.365 4.263 3.921 4.395 0.030 7 0 "[ . 1]" 3
664 1 10 PHE QD 1 11 GLU H 2.729 . 3.660 3.001 2.603 3.249 . 0 0 "[ . 1]" 3
665 2 10 PHE QD 2 11 GLU H 2.729 . 3.660 3.001 2.605 3.249 . 0 0 "[ . 1]" 3
666 1 78 LEU H 1 79 ALA H 2.580 . 3.412 2.864 2.836 2.889 . 0 0 "[ . 1]" 3
667 2 78 LEU H 2 79 ALA H 2.580 . 3.412 2.865 2.838 2.890 . 0 0 "[ . 1]" 3
668 1 39 VAL H 1 40 PHE H 2.996 . 4.118 2.782 2.753 2.807 . 0 0 "[ . 1]" 3
669 2 39 VAL H 2 40 PHE H 2.996 . 4.118 2.782 2.754 2.807 . 0 0 "[ . 1]" 3
670 1 77 ASP H 1 78 LEU H 2.412 . 3.139 2.360 2.299 2.402 . 0 0 "[ . 1]" 3
671 2 77 ASP H 2 78 LEU H 2.412 . 3.139 2.360 2.300 2.402 . 0 0 "[ . 1]" 3
672 1 23 PHE QD 1 24 SER H 3.464 . 4.964 2.387 1.286 3.879 0.678 5 2 "[ -+ 1]" 3
673 2 23 PHE QD 2 24 SER H 3.464 . 4.964 2.387 1.285 3.878 0.679 5 2 "[ -+ 1]" 3
674 1 23 PHE H 1 23 PHE QD 3.896 . 5.794 4.372 4.083 4.498 . 0 0 "[ . 1]" 3
675 2 23 PHE H 2 23 PHE QD 3.896 . 5.794 4.372 4.084 4.498 . 0 0 "[ . 1]" 3
676 1 67 TYR QD 1 68 PHE H 3.524 . 5.076 4.460 4.196 4.785 . 0 0 "[ . 1]" 3
677 2 67 TYR QD 2 68 PHE H 3.524 . 5.076 4.460 4.197 4.784 . 0 0 "[ . 1]" 3
678 1 67 TYR H 1 67 TYR QD 2.535 . 3.338 3.170 2.448 3.610 0.272 6 0 "[ . 1]" 3
679 2 67 TYR H 2 67 TYR QD 2.535 . 3.338 3.170 2.447 3.612 0.274 6 0 "[ . 1]" 3
680 1 40 PHE H 1 40 PHE HD2 2.619 . 3.476 3.462 3.316 3.519 0.043 3 0 "[ . 1]" 3
681 2 40 PHE H 2 40 PHE HD2 2.619 . 3.476 3.462 3.315 3.518 0.042 3 0 "[ . 1]" 3
682 1 19 LEU H 1 72 GLU HA 3.033 . 4.183 3.465 3.290 3.602 . 0 0 "[ . 1]" 3
683 2 19 LEU H 2 72 GLU HA 3.033 . 4.183 3.465 3.291 3.603 . 0 0 "[ . 1]" 3
684 1 72 GLU HA 1 73 VAL H 2.370 . 3.072 2.217 2.189 2.247 . 0 0 "[ . 1]" 3
685 2 72 GLU HA 2 73 VAL H 2.370 . 3.072 2.217 2.189 2.247 . 0 0 "[ . 1]" 3
686 1 22 LEU HA 1 23 PHE H 2.402 . 3.123 2.300 2.163 2.394 . 0 0 "[ . 1]" 3
687 2 22 LEU HA 2 23 PHE H 2.402 . 3.123 2.300 2.164 2.394 . 0 0 "[ . 1]" 3
688 1 50 LEU HA 1 70 ARG H 3.379 . 4.806 3.038 2.875 3.238 . 0 0 "[ . 1]" 3
689 2 50 LEU HA 2 70 ARG H 3.379 . 4.806 3.038 2.876 3.239 . 0 0 "[ . 1]" 3
690 1 19 LEU H 1 71 PHE HA 3.776 . 5.558 4.856 4.734 5.069 . 0 0 "[ . 1]" 3
691 2 19 LEU H 2 71 PHE HA 3.776 . 5.558 4.856 4.734 5.069 . 0 0 "[ . 1]" 3
692 1 20 ASN HA 1 71 PHE H 2.639 . 3.509 3.392 3.149 3.515 0.006 8 0 "[ . 1]" 3
693 2 20 ASN HA 2 71 PHE H 2.639 . 3.509 3.392 3.150 3.515 0.006 8 0 "[ . 1]" 3
694 1 20 ASN HA 1 21 LEU H 2.488 . 3.262 2.369 2.251 2.445 . 0 0 "[ . 1]" 3
695 2 20 ASN HA 2 21 LEU H 2.488 . 3.262 2.370 2.248 2.445 . 0 0 "[ . 1]" 3
696 1 50 LEU HA 1 51 GLU H 2.420 . 3.152 2.189 2.114 2.214 . 0 0 "[ . 1]" 3
697 2 50 LEU HA 2 51 GLU H 2.420 . 3.152 2.189 2.113 2.214 . 0 0 "[ . 1]" 3
698 1 49 HIS H 1 71 PHE HA 3.158 . 4.405 3.928 3.741 4.014 . 0 0 "[ . 1]" 3
699 2 49 HIS H 2 71 PHE HA 3.158 . 4.405 3.928 3.742 4.016 . 0 0 "[ . 1]" 3
700 1 71 PHE HA 1 72 GLU H 2.579 . 3.410 2.384 2.340 2.420 . 0 0 "[ . 1]" 3
701 2 71 PHE HA 2 72 GLU H 2.579 . 3.410 2.384 2.339 2.419 . 0 0 "[ . 1]" 3
702 1 20 ASN H 1 20 ASN HA 2.842 . 3.852 2.945 2.932 2.959 . 0 0 "[ . 1]" 3
703 2 20 ASN H 2 20 ASN HA 2.842 . 3.852 2.945 2.931 2.959 . 0 0 "[ . 1]" 3
704 1 23 PHE H 1 68 PHE HA 3.440 . 4.920 4.921 4.720 5.059 0.139 8 0 "[ . 1]" 3
705 2 23 PHE H 2 68 PHE HA 3.440 . 4.920 4.921 4.720 5.058 0.138 8 0 "[ . 1]" 3
706 1 51 GLU HA 1 52 THR H 2.480 . 3.249 2.241 2.132 2.314 . 0 0 "[ . 1]" 3
707 2 51 GLU HA 2 52 THR H 2.480 . 3.249 2.241 2.132 2.312 . 0 0 "[ . 1]" 3
708 1 23 PHE HA 1 93 ARG H 3.656 . 5.327 4.306 4.023 4.716 . 0 0 "[ . 1]" 3
709 2 23 PHE HA 2 93 ARG H 3.656 . 5.327 4.306 4.023 4.716 . 0 0 "[ . 1]" 3
710 1 12 GLU HA 1 13 ARG H 2.069 . 2.604 2.157 2.042 2.625 0.021 8 0 "[ . 1]" 3
711 2 12 GLU HA 2 13 ARG H 2.069 . 2.604 2.157 2.043 2.626 0.022 8 0 "[ . 1]" 3
712 1 68 PHE HA 1 69 VAL H 2.319 . 2.991 2.167 2.139 2.185 . 0 0 "[ . 1]" 3
713 2 68 PHE HA 2 69 VAL H 2.319 . 2.991 2.167 2.140 2.185 . 0 0 "[ . 1]" 3
714 1 16 ASN HA 1 17 ALA H 2.475 . 3.240 2.534 2.366 2.666 . 0 0 "[ . 1]" 3
715 2 16 ASN HA 2 17 ALA H 2.475 . 3.240 2.534 2.367 2.665 . 0 0 "[ . 1]" 3
716 1 12 GLU H 1 12 GLU HA 2.576 . 3.406 2.835 2.602 2.924 . 0 0 "[ . 1]" 3
717 2 12 GLU H 2 12 GLU HA 2.576 . 3.406 2.835 2.600 2.925 . 0 0 "[ . 1]" 3
718 1 21 LEU HA 1 22 LEU H 2.522 . 3.317 2.155 2.107 2.198 . 0 0 "[ . 1]" 3
719 2 21 LEU HA 2 22 LEU H 2.522 . 3.317 2.154 2.106 2.197 . 0 0 "[ . 1]" 3
720 1 16 ASN HA 1 73 VAL H 3.422 . 4.886 4.856 4.561 4.998 0.112 8 0 "[ . 1]" 3
721 2 16 ASN HA 2 73 VAL H 3.422 . 4.886 4.857 4.561 4.996 0.110 8 0 "[ . 1]" 3
722 1 12 GLU HA 1 18 VAL H 3.016 . 4.153 2.644 1.939 3.051 . 0 0 "[ . 1]" 3
723 2 12 GLU HA 2 18 VAL H 3.016 . 4.153 2.644 1.938 3.051 . 0 0 "[ . 1]" 3
724 1 74 PRO HA 1 75 SER H 2.332 . 3.012 2.167 2.145 2.193 . 0 0 "[ . 1]" 3
725 2 74 PRO HA 2 75 SER H 2.332 . 3.012 2.167 2.145 2.192 . 0 0 "[ . 1]" 3
726 1 16 ASN H 1 16 ASN HA 2.416 . 3.145 2.913 2.896 2.929 . 0 0 "[ . 1]" 3
727 2 16 ASN H 2 16 ASN HA 2.416 . 3.145 2.913 2.896 2.930 . 0 0 "[ . 1]" 3
728 1 24 SER HA 1 67 TYR H 3.778 . 5.562 4.514 3.626 5.662 0.100 6 0 "[ . 1]" 3
729 2 24 SER HA 2 67 TYR H 3.778 . 5.562 4.514 3.627 5.662 0.100 6 0 "[ . 1]" 3
730 1 23 PHE HA 1 24 SER H 2.654 . 3.534 2.214 2.096 2.325 . 0 0 "[ . 1]" 3
731 2 23 PHE HA 2 24 SER H 2.654 . 3.534 2.214 2.095 2.326 . 0 0 "[ . 1]" 3
732 1 13 ARG H 1 17 ALA HA 2.746 . 3.689 2.938 2.781 3.382 . 0 0 "[ . 1]" 3
733 2 13 ARG H 2 17 ALA HA 2.746 . 3.689 2.938 2.783 3.380 . 0 0 "[ . 1]" 3
734 1 18 VAL HA 1 19 LEU H 3.054 . 4.220 2.164 2.140 2.251 . 0 0 "[ . 1]" 3
735 2 18 VAL HA 2 19 LEU H 3.054 . 4.220 2.164 2.140 2.249 . 0 0 "[ . 1]" 3
736 1 17 ALA H 1 74 PRO HA 2.823 . 3.819 3.481 3.418 3.529 . 0 0 "[ . 1]" 3
737 2 17 ALA H 2 74 PRO HA 2.823 . 3.819 3.481 3.419 3.530 . 0 0 "[ . 1]" 3
738 1 12 GLU H 1 17 ALA HA 3.232 . 4.538 4.093 3.459 4.354 . 0 0 "[ . 1]" 3
739 2 12 GLU H 2 17 ALA HA 3.232 . 4.538 4.093 3.459 4.356 . 0 0 "[ . 1]" 3
740 1 77 ASP HA 1 81 LEU H 3.634 . 5.285 4.267 4.188 4.343 . 0 0 "[ . 1]" 3
741 2 77 ASP HA 2 81 LEU H 3.634 . 5.285 4.266 4.188 4.342 . 0 0 "[ . 1]" 3
742 1 52 THR HA 1 68 PHE H 3.364 . 4.779 3.286 2.678 4.904 0.125 2 0 "[ . 1]" 3
743 2 52 THR HA 2 68 PHE H 3.364 . 4.779 3.287 2.678 4.907 0.128 2 0 "[ . 1]" 3
744 1 46 LYS H 1 73 VAL HA 3.643 . 5.302 3.576 3.484 3.694 . 0 0 "[ . 1]" 3
745 2 46 LYS H 2 73 VAL HA 3.643 . 5.302 3.576 3.484 3.694 . 0 0 "[ . 1]" 3
746 1 45 ALA HA 1 46 LYS H 2.687 . 3.589 2.546 2.481 2.621 . 0 0 "[ . 1]" 3
747 2 45 ALA HA 2 46 LYS H 2.687 . 3.589 2.546 2.483 2.620 . 0 0 "[ . 1]" 3
748 1 77 ASP HA 1 80 ALA H 2.916 . 3.979 3.018 2.983 3.073 . 0 0 "[ . 1]" 3
749 2 77 ASP HA 2 80 ALA H 2.916 . 3.979 3.019 2.983 3.074 . 0 0 "[ . 1]" 3
750 1 17 ALA HA 1 18 VAL H 2.314 . 2.983 2.018 1.930 2.122 . 0 0 "[ . 1]" 3
751 2 17 ALA HA 2 18 VAL H 2.314 . 2.983 2.018 1.932 2.122 . 0 0 "[ . 1]" 3
752 1 90 ASP H 1 90 ASP HA 2.835 . 3.840 2.873 2.803 2.932 . 0 0 "[ . 1]" 3
753 2 90 ASP H 2 90 ASP HA 2.835 . 3.840 2.873 2.802 2.932 . 0 0 "[ . 1]" 3
754 1 89 SER HA 1 90 ASP H 2.803 . 3.785 2.431 2.253 2.969 . 0 0 "[ . 1]" 3
755 2 89 SER HA 2 90 ASP H 2.803 . 3.785 2.431 2.253 2.969 . 0 0 "[ . 1]" 3
756 1 10 PHE HA 1 11 GLU H 2.249 . 2.881 2.401 2.259 2.535 . 0 0 "[ . 1]" 3
757 2 10 PHE HA 2 11 GLU H 2.249 . 2.881 2.401 2.261 2.536 . 0 0 "[ . 1]" 3
758 1 64 HIS HA 1 65 LEU H 2.640 . 3.511 2.495 2.150 2.956 . 0 0 "[ . 1]" 3
759 2 64 HIS HA 2 65 LEU H 2.640 . 3.511 2.495 2.150 2.955 . 0 0 "[ . 1]" 3
760 1 10 PHE H 1 10 PHE HA 2.647 . 3.523 2.876 2.791 2.927 . 0 0 "[ . 1]" 3
761 2 10 PHE H 2 10 PHE HA 2.647 . 3.523 2.876 2.794 2.927 . 0 0 "[ . 1]" 3
762 1 77 ASP HA 1 78 LEU H 2.721 . 3.646 3.363 3.324 3.399 . 0 0 "[ . 1]" 3
763 2 77 ASP HA 2 78 LEU H 2.721 . 3.646 3.363 3.323 3.400 . 0 0 "[ . 1]" 3
764 1 52 THR HA 1 53 ARG H 2.225 . 2.844 2.252 2.119 2.737 . 0 0 "[ . 1]" 3
765 2 52 THR HA 2 53 ARG H 2.225 . 2.844 2.251 2.119 2.737 . 0 0 "[ . 1]" 3
766 1 77 ASP HA 1 79 ALA H 3.294 . 4.650 4.621 4.598 4.672 0.022 7 0 "[ . 1]" 3
767 2 77 ASP HA 2 79 ALA H 3.294 . 4.650 4.622 4.599 4.673 0.023 7 0 "[ . 1]" 3
768 1 16 ASN H 1 74 PRO HA 3.480 . 4.994 4.773 4.600 4.971 . 0 0 "[ . 1]" 3
769 2 16 ASN H 2 74 PRO HA 3.480 . 4.994 4.772 4.600 4.970 . 0 0 "[ . 1]" 3
770 1 45 ALA H 1 45 ALA HA 2.998 . 4.122 2.841 2.827 2.855 . 0 0 "[ . 1]" 3
771 2 45 ALA H 2 45 ALA HA 2.998 . 4.122 2.841 2.827 2.855 . 0 0 "[ . 1]" 3
772 1 90 ASP HA 1 91 ASP H 2.727 . 3.656 3.531 3.443 3.595 . 0 0 "[ . 1]" 3
773 2 90 ASP HA 2 91 ASP H 2.727 . 3.656 3.530 3.442 3.595 . 0 0 "[ . 1]" 3
774 1 77 ASP H 1 77 ASP HA 2.361 . 3.058 2.875 2.838 2.893 . 0 0 "[ . 1]" 3
775 2 77 ASP H 2 77 ASP HA 2.361 . 3.058 2.875 2.837 2.893 . 0 0 "[ . 1]" 3
776 1 74 PRO HA 1 77 ASP H 3.823 . 5.650 4.348 4.312 4.392 . 0 0 "[ . 1]" 3
777 2 74 PRO HA 2 77 ASP H 3.823 . 5.650 4.348 4.312 4.394 . 0 0 "[ . 1]" 3
778 1 62 SER H 1 62 SER HA 2.838 . 3.845 2.888 2.714 2.944 . 0 0 "[ . 1]" 3
779 2 62 SER H 2 62 SER HA 2.838 . 3.845 2.888 2.715 2.944 . 0 0 "[ . 1]" 3
780 1 94 SER H 1 94 SER HA 2.893 . 3.939 2.879 2.840 2.905 . 0 0 "[ . 1]" 3
781 2 94 SER H 2 94 SER HA 2.893 . 3.939 2.879 2.840 2.904 . 0 0 "[ . 1]" 3
782 1 93 ARG HA 1 94 SER H 2.627 . 3.489 2.538 2.420 2.702 . 0 0 "[ . 1]" 3
783 2 93 ARG HA 2 94 SER H 2.627 . 3.489 2.538 2.420 2.705 . 0 0 "[ . 1]" 3
784 2 10 PHE HA 2 20 ASN H 3.147 . 4.385 4.749 4.477 6.462 2.077 2 1 "[ + . 1]" 3
785 1 94 SER HA 1 95 ALA H 2.245 . 2.875 2.422 2.160 2.576 . 0 0 "[ . 1]" 3
786 2 94 SER HA 2 95 ALA H 2.245 . 2.875 2.422 2.162 2.574 . 0 0 "[ . 1]" 3
787 1 13 ARG HA 1 14 ASP H 2.929 . 4.001 2.182 2.135 2.218 . 0 0 "[ . 1]" 3
788 2 13 ARG HA 2 14 ASP H 2.929 . 4.001 2.181 2.137 2.217 . 0 0 "[ . 1]" 3
789 1 13 ARG H 1 13 ARG HA 2.581 . 3.414 2.896 2.765 2.915 . 0 0 "[ . 1]" 3
790 2 13 ARG H 2 13 ARG HA 2.581 . 3.414 2.896 2.764 2.916 . 0 0 "[ . 1]" 3
791 1 19 LEU H 1 19 LEU HA 2.901 . 3.953 2.859 2.826 2.881 . 0 0 "[ . 1]" 3
792 2 19 LEU H 2 19 LEU HA 2.901 . 3.953 2.858 2.827 2.880 . 0 0 "[ . 1]" 3
793 1 55 ALA H 1 65 LEU HA 3.000 . 4.125 2.559 1.856 4.020 0.019 1 0 "[ . 1]" 3
794 2 55 ALA H 2 65 LEU HA 3.000 . 4.125 2.558 1.856 4.020 0.019 1 0 "[ . 1]" 3
795 1 54 PRO HA 1 55 ALA H 2.113 . 2.671 2.216 2.036 2.654 . 0 0 "[ . 1]" 3
796 2 54 PRO HA 2 55 ALA H 2.113 . 2.671 2.216 2.036 2.653 . 0 0 "[ . 1]" 3
797 1 31 SER HA 1 33 LEU H 2.994 . 4.114 3.866 3.312 4.173 0.059 8 0 "[ . 1]" 3
798 2 31 SER HA 2 33 LEU H 2.994 . 4.114 3.849 3.307 4.175 0.061 8 0 "[ . 1]" 3
799 1 11 GLU HA 1 12 GLU H 1.983 . 2.474 2.465 2.058 3.069 0.595 8 1 "[ . + 1]" 3
800 2 11 GLU HA 2 12 GLU H 1.983 . 2.474 2.464 2.059 3.069 0.595 8 1 "[ . + 1]" 3
801 1 67 TYR HA 1 68 PHE H 2.545 . 3.355 2.170 2.058 2.476 . 0 0 "[ . 1]" 3
802 2 67 TYR HA 2 68 PHE H 2.545 . 3.355 2.170 2.058 2.478 . 0 0 "[ . 1]" 3
803 1 46 LYS H 1 46 LYS HA 2.754 . 3.702 2.939 2.922 2.946 . 0 0 "[ . 1]" 3
804 2 46 LYS H 2 46 LYS HA 2.754 . 3.702 2.939 2.922 2.945 . 0 0 "[ . 1]" 3
805 1 10 PHE H 1 11 GLU HA 3.490 . 5.013 4.724 4.592 4.966 . 0 0 "[ . 1]" 3
806 2 10 PHE H 2 11 GLU HA 3.490 . 5.013 4.725 4.594 4.968 . 0 0 "[ . 1]" 3
807 1 65 LEU HA 1 66 GLU H 2.803 . 3.785 2.308 2.101 2.587 . 0 0 "[ . 1]" 3
808 2 65 LEU HA 2 66 GLU H 2.803 . 3.785 2.308 2.099 2.587 . 0 0 "[ . 1]" 3
809 1 66 GLU H 1 66 GLU HA 2.812 . 3.800 2.867 2.728 2.939 . 0 0 "[ . 1]" 3
810 2 66 GLU H 2 66 GLU HA 2.812 . 3.800 2.867 2.727 2.940 . 0 0 "[ . 1]" 3
811 1 91 ASP HA 1 92 VAL H 2.342 . 3.028 2.930 2.655 3.445 0.417 8 0 "[ . 1]" 3
812 2 91 ASP HA 2 92 VAL H 2.342 . 3.028 2.929 2.654 3.444 0.416 8 0 "[ . 1]" 3
813 1 13 ARG HA 1 16 ASN H 3.354 . 4.760 4.289 4.188 4.407 . 0 0 "[ . 1]" 3
814 2 13 ARG HA 2 16 ASN H 3.354 . 4.760 4.289 4.188 4.409 . 0 0 "[ . 1]" 3
815 1 91 ASP H 1 91 ASP HA 2.431 . 3.170 2.908 2.849 2.931 . 0 0 "[ . 1]" 3
816 2 91 ASP H 2 91 ASP HA 2.431 . 3.170 2.908 2.849 2.931 . 0 0 "[ . 1]" 3
817 1 31 SER HA 1 32 SER H 2.753 . 3.701 3.056 2.771 3.561 . 0 0 "[ . 1]" 3
818 2 31 SER HA 2 32 SER H 2.753 . 3.701 3.055 2.770 3.560 . 0 0 "[ . 1]" 3
819 1 19 LEU HA 1 20 ASN H 2.499 . 3.280 2.585 2.474 2.635 . 0 0 "[ . 1]" 3
820 2 19 LEU HA 2 20 ASN H 2.499 . 3.280 2.585 2.473 2.634 . 0 0 "[ . 1]" 3
821 1 14 ASP H 1 14 ASP HA 2.888 . 3.930 2.285 2.279 2.293 . 0 0 "[ . 1]" 3
822 2 14 ASP H 2 14 ASP HA 2.888 . 3.930 2.285 2.279 2.294 . 0 0 "[ . 1]" 3
823 1 55 ALA H 1 55 ALA HA 2.462 . 3.220 2.848 2.757 2.921 . 0 0 "[ . 1]" 3
824 2 55 ALA H 2 55 ALA HA 2.462 . 3.220 2.848 2.757 2.920 . 0 0 "[ . 1]" 3
825 1 8 VAL HA 1 9 VAL H 2.021 . 2.531 2.377 2.105 2.736 0.205 5 0 "[ . 1]" 3
826 2 8 VAL HA 2 9 VAL H 2.021 . 2.531 2.377 2.106 2.736 0.205 5 0 "[ . 1]" 3
827 1 9 VAL H 1 94 SER QB 2.520 . 3.314 2.745 2.043 4.454 1.140 9 1 "[ . +1]" 3
828 2 9 VAL H 2 94 SER QB 2.520 . 3.314 2.745 2.043 4.454 1.140 9 1 "[ . +1]" 3
829 1 15 GLY H 1 15 GLY HA3 2.366 . 3.066 2.933 2.927 2.944 . 0 0 "[ . 1]" 3
830 2 15 GLY H 2 15 GLY HA3 2.366 . 3.066 2.933 2.926 2.943 . 0 0 "[ . 1]" 3
831 1 59 LEU HA 1 60 ALA H 2.555 . 3.371 3.138 2.208 3.528 0.157 6 0 "[ . 1]" 3
832 2 59 LEU HA 2 60 ALA H 2.555 . 3.371 3.138 2.208 3.527 0.156 6 0 "[ . 1]" 3
833 1 6 GLU HA 1 7 ALA H 2.055 . 2.583 2.450 2.114 3.069 0.486 9 0 "[ . 1]" 3
834 2 6 GLU HA 2 7 ALA H 2.055 . 2.583 2.449 2.114 3.069 0.486 9 0 "[ . 1]" 3
835 1 84 SER HA 1 85 VAL H 2.976 . 4.083 3.533 3.523 3.555 . 0 0 "[ . 1]" 3
836 2 84 SER HA 2 85 VAL H 2.976 . 4.083 3.532 3.521 3.555 . 0 0 "[ . 1]" 3
837 1 24 SER QB 1 25 LEU H 3.244 . 4.560 3.078 2.087 3.636 . 0 0 "[ . 1]" 3
838 2 24 SER QB 2 25 LEU H 3.244 . 4.560 3.077 2.084 3.635 . 0 0 "[ . 1]" 3
839 1 56 GLN HA 1 57 ARG H 2.467 . 3.228 3.185 2.101 3.431 0.203 4 0 "[ . 1]" 3
840 2 56 GLN HA 2 57 ARG H 2.467 . 3.228 3.185 2.100 3.431 0.203 4 0 "[ . 1]" 3
841 1 5 LEU HA 1 6 GLU H 2.492 . 3.268 3.209 2.824 3.484 0.216 2 0 "[ . 1]" 3
842 2 5 LEU HA 2 6 GLU H 2.492 . 3.268 3.209 2.824 3.485 0.217 2 0 "[ . 1]" 3
843 1 6 GLU H 1 6 GLU HA 2.374 . 3.078 2.635 2.204 2.882 . 0 0 "[ . 1]" 3
844 2 6 GLU H 2 6 GLU HA 2.374 . 3.078 2.635 2.205 2.880 . 0 0 "[ . 1]" 3
845 1 55 ALA HA 1 56 GLN H 2.057 . 2.586 2.664 2.467 2.855 0.269 10 0 "[ . 1]" 3
846 2 55 ALA HA 2 56 GLN H 2.057 . 2.586 2.664 2.468 2.855 0.269 10 0 "[ . 1]" 3
847 1 9 VAL HA 1 10 PHE H 2.109 . 2.665 2.694 2.289 3.043 0.378 9 0 "[ . 1]" 3
848 2 9 VAL HA 2 10 PHE H 2.109 . 2.665 2.694 2.288 3.045 0.380 9 0 "[ . 1]" 3
849 1 41 GLU HA 1 42 THR H 2.789 . 3.762 3.497 3.453 3.542 . 0 0 "[ . 1]" 3
850 2 41 GLU HA 2 42 THR H 2.789 . 3.762 3.497 3.453 3.543 . 0 0 "[ . 1]" 3
851 1 15 GLY HA3 1 16 ASN H 2.433 . 3.173 3.457 3.400 3.497 0.324 6 0 "[ . 1]" 3
852 2 15 GLY HA3 2 16 ASN H 2.433 . 3.173 3.457 3.402 3.496 0.323 6 0 "[ . 1]" 3
853 1 41 GLU HA 1 45 ALA H 3.406 . 4.856 3.447 3.370 3.604 . 0 0 "[ . 1]" 3
854 2 41 GLU HA 2 45 ALA H 3.406 . 4.856 3.447 3.369 3.605 . 0 0 "[ . 1]" 3
855 1 5 LEU H 1 5 LEU HA 2.429 . 3.167 2.873 2.837 2.918 . 0 0 "[ . 1]" 3
856 2 5 LEU H 2 5 LEU HA 2.429 . 3.167 2.873 2.836 2.919 . 0 0 "[ . 1]" 3
857 1 41 GLU H 1 41 GLU HA 2.395 . 3.112 2.895 2.892 2.898 . 0 0 "[ . 1]" 3
858 2 41 GLU H 2 41 GLU HA 2.395 . 3.112 2.895 2.892 2.898 . 0 0 "[ . 1]" 3
859 1 43 PHE H 1 43 PHE HA 2.685 . 3.586 2.915 2.905 2.923 . 0 0 "[ . 1]" 3
860 2 43 PHE H 2 43 PHE HA 2.685 . 3.586 2.915 2.905 2.923 . 0 0 "[ . 1]" 3
861 1 42 THR HB 1 43 PHE H 2.810 . 3.797 3.828 3.758 3.914 0.117 7 0 "[ . 1]" 3
862 2 42 THR HB 2 43 PHE H 2.810 . 3.797 3.829 3.758 3.912 0.115 7 0 "[ . 1]" 3
863 1 60 ALA HA 1 62 SER H 3.668 . 5.349 3.578 3.121 4.412 . 0 0 "[ . 1]" 3
864 2 60 ALA HA 2 62 SER H 3.668 . 5.349 3.578 3.122 4.411 . 0 0 "[ . 1]" 3
865 1 61 GLY HA3 1 62 SER H 2.737 . 3.673 3.184 2.665 3.549 . 0 0 "[ . 1]" 3
866 2 61 GLY HA3 2 62 SER H 2.737 . 3.673 3.184 2.665 3.549 . 0 0 "[ . 1]" 3
867 1 8 VAL HA 1 94 SER H 2.796 . 3.773 2.904 1.894 5.000 1.227 9 1 "[ . +1]" 3
868 2 8 VAL HA 2 94 SER H 2.796 . 3.773 2.904 1.892 5.002 1.229 9 1 "[ . +1]" 3
869 1 94 SER H 1 94 SER QB 2.269 . 2.912 2.248 2.028 2.492 . 0 0 "[ . 1]" 3
870 2 94 SER H 2 94 SER QB 2.269 . 2.912 2.248 2.028 2.492 . 0 0 "[ . 1]" 3
871 1 86 ARG HA 1 89 SER H 2.913 . 3.974 3.161 2.842 3.486 . 0 0 "[ . 1]" 3
872 2 86 ARG HA 2 89 SER H 2.913 . 3.974 3.161 2.841 3.485 . 0 0 "[ . 1]" 3
873 1 40 PHE H 1 41 GLU HA 4.277 . 6.563 5.323 5.275 5.356 . 0 0 "[ . 1]" 3
874 2 40 PHE H 2 41 GLU HA 4.277 . 6.563 5.322 5.274 5.354 . 0 0 "[ . 1]" 3
875 1 43 PHE HA 1 44 GLU H 2.608 . 3.458 3.007 2.954 3.046 . 0 0 "[ . 1]" 3
876 2 43 PHE HA 2 44 GLU H 2.608 . 3.458 3.008 2.955 3.047 . 0 0 "[ . 1]" 3
877 1 41 GLU HA 1 44 GLU H 2.771 . 3.731 3.532 3.415 3.632 . 0 0 "[ . 1]" 3
878 2 41 GLU HA 2 44 GLU H 2.771 . 3.731 3.532 3.414 3.633 . 0 0 "[ . 1]" 3
879 1 87 ARG HA 1 88 VAL H 3.190 . 4.462 3.416 3.354 3.467 . 0 0 "[ . 1]" 3
880 2 87 ARG HA 2 88 VAL H 3.190 . 4.462 3.415 3.355 3.466 . 0 0 "[ . 1]" 3
881 1 95 ALA H 1 95 ALA HA 2.547 . 3.358 2.918 2.888 2.940 . 0 0 "[ . 1]" 3
882 2 95 ALA H 2 95 ALA HA 2.547 . 3.358 2.918 2.890 2.940 . 0 0 "[ . 1]" 3
883 1 26 ARG HA 1 27 GLY H 3.496 . 5.024 3.000 2.151 3.550 . 0 0 "[ . 1]" 3
884 2 26 ARG HA 2 27 GLY H 3.496 . 5.024 3.000 2.151 3.549 . 0 0 "[ . 1]" 3
885 1 27 GLY H 1 27 GLY HA2 2.932 . 4.007 2.521 2.291 2.867 . 0 0 "[ . 1]" 3
886 2 27 GLY H 2 27 GLY HA2 2.932 . 4.007 2.521 2.292 2.869 . 0 0 "[ . 1]" 3
887 1 13 ARG H 1 15 GLY HA2 4.026 . 6.052 5.215 4.448 5.564 . 0 0 "[ . 1]" 3
888 2 13 ARG H 2 15 GLY HA2 4.026 . 6.052 5.215 4.448 5.564 . 0 0 "[ . 1]" 3
889 1 32 SER QB 1 33 LEU H 3.278 . 4.621 3.933 3.862 4.050 . 0 0 "[ . 1]" 3
890 2 32 SER QB 2 33 LEU H 3.278 . 4.621 3.927 3.862 4.039 . 0 0 "[ . 1]" 3
891 1 17 ALA H 1 75 SER HA 2.705 . 3.620 3.450 3.243 3.583 . 0 0 "[ . 1]" 3
892 2 17 ALA H 2 75 SER HA 2.705 . 3.620 3.450 3.244 3.586 . 0 0 "[ . 1]" 3
893 1 15 GLY H 1 15 GLY HA2 2.356 . 3.050 2.388 2.378 2.416 . 0 0 "[ . 1]" 3
894 2 15 GLY H 2 15 GLY HA2 2.356 . 3.050 2.387 2.378 2.416 . 0 0 "[ . 1]" 3
895 1 83 SER HA 1 85 VAL H 3.093 . 4.289 4.359 4.316 4.425 0.136 7 0 "[ . 1]" 3
896 2 83 SER HA 2 85 VAL H 3.093 . 4.289 4.358 4.316 4.425 0.136 7 0 "[ . 1]" 3
897 1 84 SER QB 1 85 VAL H 2.722 . 3.648 2.393 2.356 2.468 . 0 0 "[ . 1]" 3
898 2 84 SER QB 2 85 VAL H 2.722 . 3.648 2.393 2.357 2.468 . 0 0 "[ . 1]" 3
899 1 80 ALA HA 1 81 LEU H 3.006 . 4.136 3.592 3.587 3.595 . 0 0 "[ . 1]" 3
900 2 80 ALA HA 2 81 LEU H 3.006 . 4.136 3.592 3.586 3.595 . 0 0 "[ . 1]" 3
901 1 80 ALA H 1 80 ALA HA 2.218 . 2.833 2.830 2.824 2.833 . 2 0 "[ . 1]" 3
902 2 80 ALA H 2 80 ALA HA 2.218 . 2.833 2.830 2.824 2.833 0.000 4 0 "[ . 1]" 3
903 1 79 ALA HA 1 80 ALA H 2.928 . 4.000 3.456 3.449 3.459 . 0 0 "[ . 1]" 3
904 2 79 ALA HA 2 80 ALA H 2.928 . 4.000 3.457 3.450 3.462 . 0 0 "[ . 1]" 3
905 1 75 SER H 1 75 SER HA 2.190 . 2.790 2.742 2.725 2.755 . 0 0 "[ . 1]" 3
906 2 75 SER H 2 75 SER HA 2.190 . 2.790 2.743 2.724 2.755 . 0 0 "[ . 1]" 3
907 1 89 SER QB 1 90 ASP H 3.121 . 4.338 2.600 2.041 3.467 . 0 0 "[ . 1]" 3
908 2 89 SER QB 2 90 ASP H 3.121 . 4.338 2.600 2.044 3.467 . 0 0 "[ . 1]" 3
909 1 76 GLY HA2 1 78 LEU H 3.422 . 4.886 3.983 3.855 4.096 . 0 0 "[ . 1]" 3
910 2 76 GLY HA2 2 78 LEU H 3.422 . 4.886 3.983 3.857 4.097 . 0 0 "[ . 1]" 3
911 1 52 THR HB 1 53 ARG H 3.265 . 4.598 4.281 3.499 4.497 . 0 0 "[ . 1]" 3
912 2 52 THR HB 2 53 ARG H 3.265 . 4.598 4.280 3.499 4.496 . 0 0 "[ . 1]" 3
913 1 53 ARG H 1 54 PRO HD3 3.324 . 4.705 4.377 2.810 4.819 0.114 9 0 "[ . 1]" 3
914 2 53 ARG H 2 54 PRO HD3 3.324 . 4.705 4.377 2.810 4.819 0.114 9 0 "[ . 1]" 3
915 1 76 GLY HA2 1 79 ALA H 3.083 . 4.271 4.157 3.853 4.287 0.016 9 0 "[ . 1]" 3
916 2 76 GLY HA2 2 79 ALA H 3.083 . 4.271 4.157 3.855 4.287 0.016 4 0 "[ . 1]" 3
917 1 79 ALA H 1 79 ALA HA 2.327 . 3.004 2.736 2.726 2.742 . 0 0 "[ . 1]" 3
918 2 79 ALA H 2 79 ALA HA 2.327 . 3.004 2.736 2.727 2.741 . 0 0 "[ . 1]" 3
919 1 79 ALA HA 1 82 LEU H 3.052 . 4.216 3.674 3.630 3.729 . 0 0 "[ . 1]" 3
920 2 79 ALA HA 2 82 LEU H 3.052 . 4.216 3.674 3.632 3.730 . 0 0 "[ . 1]" 3
921 1 35 ARG HA 1 38 LYS H 2.835 . 3.839 3.424 3.206 3.942 0.103 8 0 "[ . 1]" 3
922 2 35 ARG HA 2 38 LYS H 2.835 . 3.839 3.424 3.204 3.941 0.102 8 0 "[ . 1]" 3
923 1 42 THR H 1 42 THR HA 2.987 . 4.102 2.810 2.773 2.833 . 0 0 "[ . 1]" 3
924 2 42 THR H 2 42 THR HA 2.987 . 4.102 2.810 2.773 2.833 . 0 0 "[ . 1]" 3
925 1 15 GLY HA2 1 16 ASN H 2.664 . 3.551 3.081 2.978 3.166 . 0 0 "[ . 1]" 3
926 2 15 GLY HA2 2 16 ASN H 2.664 . 3.551 3.081 2.978 3.167 . 0 0 "[ . 1]" 3
927 1 36 ALA HA 1 39 VAL H 3.288 . 4.640 3.668 3.459 3.852 . 0 0 "[ . 1]" 3
928 2 36 ALA HA 2 39 VAL H 3.288 . 4.640 3.668 3.458 3.853 . 0 0 "[ . 1]" 3
929 1 44 GLU HA 1 45 ALA H 2.425 . 3.160 2.852 2.831 2.886 . 0 0 "[ . 1]" 3
930 2 44 GLU HA 2 45 ALA H 2.425 . 3.160 2.852 2.831 2.886 . 0 0 "[ . 1]" 3
931 1 4 PRO QD 1 5 LEU H 2.875 . 3.908 2.758 2.642 2.895 . 0 0 "[ . 1]" 3
932 2 4 PRO QD 2 5 LEU H 2.875 . 3.908 2.758 2.642 2.893 . 0 0 "[ . 1]" 3
933 1 76 GLY HA2 1 77 ASP H 2.683 . 3.583 3.555 3.506 3.572 . 0 0 "[ . 1]" 3
934 2 76 GLY HA2 2 77 ASP H 2.683 . 3.583 3.555 3.507 3.573 . 0 0 "[ . 1]" 3
935 1 76 GLY HA3 1 77 ASP H 2.624 . 3.484 2.880 2.816 2.932 . 0 0 "[ . 1]" 3
936 2 76 GLY HA3 2 77 ASP H 2.624 . 3.484 2.879 2.815 2.934 . 0 0 "[ . 1]" 3
937 1 47 ILE HA 1 49 HIS H 3.505 . 5.041 4.152 4.016 4.243 . 0 0 "[ . 1]" 3
938 2 47 ILE HA 2 49 HIS H 3.505 . 5.041 4.153 4.017 4.245 . 0 0 "[ . 1]" 3
939 1 32 SER H 1 32 SER QB 3.085 . 4.275 2.491 2.249 2.879 . 0 0 "[ . 1]" 3
940 2 32 SER H 2 32 SER QB 3.085 . 4.275 2.491 2.247 2.879 . 0 0 "[ . 1]" 3
941 1 83 SER HA 1 84 SER H 2.511 . 3.299 3.425 3.411 3.442 0.143 8 0 "[ . 1]" 3
942 2 83 SER HA 2 84 SER H 2.511 . 3.299 3.425 3.411 3.443 0.144 8 0 "[ . 1]" 3
943 1 83 SER HB3 1 84 SER H 2.151 . 2.730 2.684 2.623 2.766 0.036 9 0 "[ . 1]" 3
944 2 83 SER HB3 2 84 SER H 2.151 . 2.730 2.683 2.624 2.765 0.035 9 0 "[ . 1]" 3
945 1 47 ILE HA 1 72 GLU H 3.224 . 4.523 2.982 2.871 3.046 . 0 0 "[ . 1]" 3
946 2 47 ILE HA 2 72 GLU H 3.224 . 4.523 2.982 2.871 3.046 . 0 0 "[ . 1]" 3
947 1 62 SER H 1 62 SER QB 2.906 . 3.962 2.693 2.327 2.919 . 0 0 "[ . 1]" 3
948 2 62 SER H 2 62 SER QB 2.906 . 3.962 2.694 2.327 2.917 . 0 0 "[ . 1]" 3
949 1 61 GLY HA2 1 62 SER H 2.408 . 3.133 3.185 2.734 3.569 0.436 7 0 "[ . 1]" 3
950 2 61 GLY HA2 2 62 SER H 2.408 . 3.133 3.185 2.734 3.570 0.437 7 0 "[ . 1]" 3
951 1 89 SER H 1 89 SER QB 3.086 . 4.123 2.708 2.327 3.166 . 0 0 "[ . 1]" 3
952 2 89 SER H 2 89 SER QB 3.086 . 4.123 2.708 2.327 3.166 . 0 0 "[ . 1]" 3
953 1 44 GLU H 1 44 GLU HA 2.194 . 2.796 2.258 2.249 2.263 . 0 0 "[ . 1]" 3
954 2 44 GLU H 2 44 GLU HA 2.194 . 2.796 2.257 2.250 2.261 . 0 0 "[ . 1]" 3
955 1 83 SER H 1 83 SER HA 2.312 . 2.980 2.794 2.785 2.809 . 0 0 "[ . 1]" 3
956 2 83 SER H 2 83 SER HA 2.312 . 2.980 2.794 2.786 2.810 . 0 0 "[ . 1]" 3
957 1 83 SER H 1 83 SER HB2 2.363 . 3.061 2.296 2.255 2.320 . 0 0 "[ . 1]" 3
958 2 83 SER H 2 83 SER HB2 2.363 . 3.061 2.296 2.254 2.321 . 0 0 "[ . 1]" 3
959 1 27 GLY HA3 1 28 THR H 2.989 . 4.106 3.049 2.284 3.563 . 0 0 "[ . 1]" 3
960 2 27 GLY HA3 2 28 THR H 2.989 . 4.106 3.050 2.286 3.562 . 0 0 "[ . 1]" 3
961 1 76 GLY H 1 76 GLY HA2 2.271 . 2.916 2.920 2.904 2.936 0.020 7 0 "[ . 1]" 3
962 2 76 GLY H 2 76 GLY HA2 2.271 . 2.916 2.920 2.904 2.937 0.021 7 0 "[ . 1]" 3
963 1 27 GLY H 1 27 GLY HA3 2.942 . 4.024 2.803 2.299 2.952 . 0 0 "[ . 1]" 3
964 2 27 GLY H 2 27 GLY HA3 2.942 . 4.024 2.802 2.298 2.952 . 0 0 "[ . 1]" 3
965 1 82 LEU HA 1 85 VAL H 3.183 . 4.449 2.916 2.845 2.974 . 0 0 "[ . 1]" 3
966 2 82 LEU HA 2 85 VAL H 3.183 . 4.449 2.917 2.845 2.973 . 0 0 "[ . 1]" 3
967 1 85 VAL H 1 85 VAL HA 2.739 . 3.677 2.774 2.761 2.786 . 0 0 "[ . 1]" 3
968 2 85 VAL H 2 85 VAL HA 2.739 . 3.677 2.774 2.762 2.786 . 0 0 "[ . 1]" 3
969 1 78 LEU HA 1 81 LEU H 2.963 . 4.061 3.557 3.524 3.608 . 0 0 "[ . 1]" 3
970 2 78 LEU HA 2 81 LEU H 2.963 . 4.061 3.558 3.525 3.610 . 0 0 "[ . 1]" 3
971 1 57 ARG H 1 58 PRO HD2 2.633 . 3.499 3.019 1.715 3.611 0.112 3 0 "[ . 1]" 3
972 2 57 ARG H 2 58 PRO HD2 2.633 . 3.499 3.018 1.715 3.611 0.112 3 0 "[ . 1]" 3
973 1 53 ARG H 1 53 ARG HD2 4.401 . 6.822 5.445 4.996 6.580 . 0 0 "[ . 1]" 3
974 2 53 ARG H 2 53 ARG HD2 4.401 . 6.822 5.445 4.997 6.581 . 0 0 "[ . 1]" 3
975 1 82 LEU H 1 82 LEU HA 2.721 . 3.647 2.804 2.788 2.818 . 0 0 "[ . 1]" 3
976 2 82 LEU H 2 82 LEU HA 2.721 . 3.647 2.804 2.789 2.819 . 0 0 "[ . 1]" 3
977 1 85 VAL HA 1 86 ARG H 3.256 . 4.581 3.447 3.403 3.506 . 0 0 "[ . 1]" 3
978 2 85 VAL HA 2 86 ARG H 3.256 . 4.581 3.447 3.406 3.506 . 0 0 "[ . 1]" 3
979 1 34 SER H 1 34 SER HB3 3.017 . 4.155 2.473 2.260 3.455 . 0 0 "[ . 1]" 3
980 2 34 SER H 2 34 SER HB3 3.017 . 4.155 2.473 2.258 3.454 . 0 0 "[ . 1]" 3
981 1 39 VAL HA 1 41 GLU H 3.243 . 4.558 4.116 4.031 4.257 . 0 0 "[ . 1]" 3
982 2 39 VAL HA 2 41 GLU H 3.243 . 4.558 4.116 4.028 4.258 . 0 0 "[ . 1]" 3
983 1 84 SER H 1 85 VAL HA 3.734 . 5.477 5.103 5.071 5.128 . 0 0 "[ . 1]" 3
984 2 84 SER H 2 85 VAL HA 3.734 . 5.477 5.103 5.071 5.126 . 0 0 "[ . 1]" 3
985 1 40 PHE H 1 40 PHE HA 2.563 . 3.384 2.782 2.764 2.804 . 0 0 "[ . 1]" 3
986 2 40 PHE H 2 40 PHE HA 2.563 . 3.384 2.782 2.765 2.805 . 0 0 "[ . 1]" 3
987 1 39 VAL HA 1 40 PHE H 3.568 . 5.160 3.534 3.516 3.549 . 0 0 "[ . 1]" 3
988 2 39 VAL HA 2 40 PHE H 3.568 . 5.160 3.534 3.515 3.548 . 0 0 "[ . 1]" 3
989 1 23 PHE H 1 23 PHE HB3 4.027 . 6.054 3.025 2.863 3.429 . 0 0 "[ . 1]" 3
990 2 23 PHE H 2 23 PHE HB3 4.027 . 6.054 3.026 2.863 3.433 . 0 0 "[ . 1]" 3
991 1 93 ARG H 1 93 ARG HD2 3.339 . 4.733 4.850 4.727 4.955 0.222 3 0 "[ . 1]" 3
992 2 93 ARG H 2 93 ARG HD2 3.339 . 4.733 4.850 4.727 4.953 0.220 3 0 "[ . 1]" 3
993 1 13 ARG H 1 13 ARG HD2 3.469 . 4.973 4.551 4.370 5.155 0.182 8 0 "[ . 1]" 3
994 2 13 ARG H 2 13 ARG HD2 3.469 . 4.973 4.551 4.371 5.155 0.182 8 0 "[ . 1]" 3
995 1 22 LEU H 1 23 PHE HB2 3.528 . 5.084 5.127 4.708 5.407 0.323 9 0 "[ . 1]" 3
996 2 22 LEU H 2 23 PHE HB2 3.528 . 5.084 5.126 4.707 5.406 0.322 9 0 "[ . 1]" 3
997 1 35 ARG H 1 35 ARG QD 4.007 . 6.014 4.326 3.669 4.814 . 0 0 "[ . 1]" 3
998 2 35 ARG H 2 35 ARG QD 4.007 . 6.014 4.328 3.674 4.815 . 0 0 "[ . 1]" 3
999 1 86 ARG H 1 87 ARG QD 2.889 . 3.933 3.885 3.860 3.903 . 0 0 "[ . 1]" 3
1000 2 86 ARG H 2 87 ARG QD 2.889 . 3.933 3.885 3.860 3.903 . 0 0 "[ . 1]" 3
1001 1 43 PHE HB3 1 45 ALA H 3.353 . 4.759 4.264 4.159 4.362 . 0 0 "[ . 1]" 3
1002 2 43 PHE HB3 2 45 ALA H 3.353 . 4.759 4.264 4.159 4.364 . 0 0 "[ . 1]" 3
1003 1 43 PHE H 1 43 PHE HB3 2.723 . 3.650 3.588 3.572 3.604 . 0 0 "[ . 1]" 3
1004 2 43 PHE H 2 43 PHE HB3 2.723 . 3.650 3.588 3.574 3.602 . 0 0 "[ . 1]" 3
1005 1 23 PHE HB2 1 24 SER H 3.364 . 4.779 4.074 3.707 4.242 . 0 0 "[ . 1]" 3
1006 2 23 PHE HB2 2 24 SER H 3.364 . 4.779 4.074 3.706 4.241 . 0 0 "[ . 1]" 3
1007 1 93 ARG HD2 1 94 SER H 3.754 . 5.516 4.433 3.482 5.361 . 0 0 "[ . 1]" 3
1008 2 93 ARG HD2 2 94 SER H 3.754 . 5.516 4.433 3.479 5.357 . 0 0 "[ . 1]" 3
1009 1 40 PHE H 1 40 PHE HB2 2.718 . 3.641 3.092 3.051 3.127 . 0 0 "[ . 1]" 3
1010 2 40 PHE H 2 40 PHE HB2 2.718 . 3.641 3.092 3.050 3.126 . 0 0 "[ . 1]" 3
1011 1 43 PHE HB3 1 44 GLU H 3.727 . 5.463 4.295 4.267 4.325 . 0 0 "[ . 1]" 3
1012 2 43 PHE HB3 2 44 GLU H 3.727 . 5.463 4.295 4.267 4.325 . 0 0 "[ . 1]" 3
1013 1 93 ARG H 1 93 ARG HD3 3.377 . 4.802 4.700 4.189 4.930 0.128 8 0 "[ . 1]" 3
1014 2 93 ARG H 2 93 ARG HD3 3.377 . 4.802 4.699 4.190 4.931 0.129 8 0 "[ . 1]" 3
1015 1 13 ARG H 1 16 ASN QB 3.565 . 5.082 4.336 4.141 4.478 . 0 0 "[ . 1]" 3
1016 2 13 ARG H 2 16 ASN QB 3.565 . 5.082 4.336 4.139 4.478 . 0 0 "[ . 1]" 3
1017 1 16 ASN QB 1 17 ALA H 2.985 . 3.550 2.372 2.151 2.763 . 0 0 "[ . 1]" 3
1018 2 16 ASN QB 2 17 ALA H 2.985 . 3.550 2.372 2.152 2.762 . 0 0 "[ . 1]" 3
1019 1 71 PHE H 1 71 PHE HB3 2.750 . 3.695 3.306 3.268 3.360 . 0 0 "[ . 1]" 3
1020 2 71 PHE H 2 71 PHE HB3 2.750 . 3.695 3.305 3.268 3.358 . 0 0 "[ . 1]" 3
1021 1 20 ASN HB2 1 21 LEU H 3.511 . 5.052 3.028 2.538 3.761 . 0 0 "[ . 1]" 3
1022 2 20 ASN HB2 2 21 LEU H 3.511 . 5.052 3.026 2.540 3.760 . 0 0 "[ . 1]" 3
1023 1 81 LEU H 1 81 LEU HA 2.592 . 3.432 2.893 2.891 2.897 . 0 0 "[ . 1]" 3
1024 2 81 LEU H 2 81 LEU HA 2.592 . 3.432 2.893 2.891 2.897 . 0 0 "[ . 1]" 3
1025 1 16 ASN QB 1 73 VAL H 3.408 . 3.910 3.374 3.213 3.794 . 0 0 "[ . 1]" 3
1026 2 16 ASN QB 2 73 VAL H 3.408 . 3.910 3.374 3.213 3.795 . 0 0 "[ . 1]" 3
1027 1 10 PHE QB 1 11 GLU H 2.703 . 3.616 2.596 2.091 3.102 . 0 0 "[ . 1]" 3
1028 2 10 PHE QB 2 11 GLU H 2.703 . 3.616 2.596 2.091 3.102 . 0 0 "[ . 1]" 3
1029 1 10 PHE H 1 10 PHE QB 3.290 . 4.643 3.108 2.909 3.224 . 0 0 "[ . 1]" 3
1030 2 10 PHE H 2 10 PHE QB 3.290 . 4.643 3.108 2.911 3.224 . 0 0 "[ . 1]" 3
1031 1 77 ASP HB3 1 78 LEU H 3.545 . 5.116 4.001 3.211 4.116 . 0 0 "[ . 1]" 3
1032 2 77 ASP HB3 2 78 LEU H 3.545 . 5.116 4.001 3.211 4.116 . 0 0 "[ . 1]" 3
1033 1 81 LEU HA 1 82 LEU H 4.115 . 6.232 3.447 3.436 3.461 . 0 0 "[ . 1]" 3
1034 2 81 LEU HA 2 82 LEU H 4.115 . 6.232 3.447 3.436 3.460 . 0 0 "[ . 1]" 3
1035 1 91 ASP HB2 1 92 VAL H 3.120 . 4.337 4.276 3.771 4.624 0.287 3 0 "[ . 1]" 3
1036 2 91 ASP HB2 2 92 VAL H 3.120 . 4.337 4.276 3.773 4.623 0.286 3 0 "[ . 1]" 3
1037 1 16 ASN H 1 16 ASN QB 2.529 . 3.328 3.134 2.804 3.260 . 0 0 "[ . 1]" 3
1038 2 16 ASN H 2 16 ASN QB 2.529 . 3.328 3.134 2.803 3.259 . 0 0 "[ . 1]" 3
1039 1 77 ASP H 1 77 ASP HB3 2.886 . 3.927 3.560 3.016 3.633 . 0 0 "[ . 1]" 3
1040 2 77 ASP H 2 77 ASP HB3 2.886 . 3.927 3.560 3.016 3.632 . 0 0 "[ . 1]" 3
1041 1 49 HIS H 1 49 HIS HB2 2.545 . 3.354 3.297 2.915 3.390 0.036 7 0 "[ . 1]" 3
1042 2 49 HIS H 2 49 HIS HB2 2.545 . 3.354 3.297 2.918 3.392 0.038 7 0 "[ . 1]" 3
1043 1 81 LEU HA 1 84 SER H 3.031 . 4.180 3.169 3.089 3.255 . 0 0 "[ . 1]" 3
1044 2 81 LEU HA 2 84 SER H 3.031 . 4.180 3.169 3.089 3.256 . 0 0 "[ . 1]" 3
1045 1 90 ASP H 1 90 ASP HB2 2.543 . 3.351 3.023 2.440 3.368 0.017 7 0 "[ . 1]" 3
1046 2 90 ASP H 2 90 ASP HB2 2.543 . 3.351 3.022 2.440 3.367 0.016 7 0 "[ . 1]" 3
1047 1 93 ARG HD3 1 94 SER H 3.602 . 5.224 4.526 3.442 5.395 0.171 10 0 "[ . 1]" 3
1048 2 93 ARG HD3 2 94 SER H 3.602 . 5.224 4.525 3.440 5.394 0.170 10 0 "[ . 1]" 3
1049 1 40 PHE H 1 40 PHE HB3 2.896 . 3.945 3.458 3.439 3.488 . 0 0 "[ . 1]" 3
1050 2 40 PHE H 2 40 PHE HB3 2.896 . 3.945 3.458 3.440 3.488 . 0 0 "[ . 1]" 3
1051 1 3 ASN QB 1 3 ASN HD21 2.856 . 3.864 2.187 2.159 2.224 . 0 0 "[ . 1]" 3
1052 2 3 ASN QB 2 3 ASN HD21 2.856 . 3.864 2.187 2.159 2.225 . 0 0 "[ . 1]" 3
1053 1 3 ASN QB 1 3 ASN HD22 2.820 . 3.814 3.246 3.212 3.295 . 0 0 "[ . 1]" 3
1054 2 3 ASN QB 2 3 ASN HD22 2.820 . 3.814 3.246 3.214 3.295 . 0 0 "[ . 1]" 3
1055 1 16 ASN QB 1 16 ASN HD21 2.874 . 3.790 2.343 2.193 2.442 . 0 0 "[ . 1]" 3
1056 2 16 ASN QB 2 16 ASN HD21 2.874 . 3.790 2.343 2.193 2.441 . 0 0 "[ . 1]" 3
1057 1 20 ASN HB2 1 95 ALA H 2.966 . 4.066 2.576 1.840 2.942 0.026 4 0 "[ . 1]" 3
1058 2 20 ASN HB2 2 95 ALA H 2.966 . 4.066 2.576 1.841 2.944 0.025 4 0 "[ . 1]" 3
1059 1 14 ASP H 1 14 ASP QB 4.602 . 6.421 2.889 2.816 3.231 . 0 0 "[ . 1]" 3
1060 2 14 ASP H 2 14 ASP QB 4.602 . 6.421 2.889 2.816 3.232 . 0 0 "[ . 1]" 3
1061 1 68 PHE HB3 1 69 VAL H 3.389 . 4.825 4.262 4.199 4.353 . 0 0 "[ . 1]" 3
1062 2 68 PHE HB3 2 69 VAL H 3.389 . 4.825 4.262 4.199 4.353 . 0 0 "[ . 1]" 3
1063 1 14 ASP QB 1 15 GLY H 2.829 . 3.830 3.704 3.643 3.788 . 0 0 "[ . 1]" 3
1064 2 14 ASP QB 2 15 GLY H 2.829 . 3.830 3.704 3.642 3.788 . 0 0 "[ . 1]" 3
1065 1 20 ASN HB3 1 21 LEU H 3.740 . 5.488 3.307 2.471 3.903 . 0 0 "[ . 1]" 3
1066 2 20 ASN HB3 2 21 LEU H 3.740 . 5.488 3.307 2.471 3.903 . 0 0 "[ . 1]" 3
1067 1 68 PHE H 1 68 PHE HB3 3.176 . 4.437 2.501 2.369 3.034 . 0 0 "[ . 1]" 3
1068 2 68 PHE H 2 68 PHE HB3 3.176 . 4.437 2.501 2.369 3.035 . 0 0 "[ . 1]" 3
1069 1 46 LYS H 1 72 GLU QG 3.338 . 3.950 2.234 2.048 2.417 . 0 0 "[ . 1]" 3
1070 2 46 LYS H 2 72 GLU QG 3.338 . 3.950 2.234 2.048 2.416 . 0 0 "[ . 1]" 3
1071 1 16 ASN QB 1 75 SER H 2.761 . 3.714 3.421 3.307 3.612 . 0 0 "[ . 1]" 3
1072 2 16 ASN QB 2 75 SER H 2.761 . 3.714 3.421 3.308 3.610 . 0 0 "[ . 1]" 3
1073 1 90 ASP H 1 90 ASP HB3 3.030 . 4.178 3.071 2.541 3.636 . 0 0 "[ . 1]" 3
1074 2 90 ASP H 2 90 ASP HB3 3.030 . 4.178 3.070 2.541 3.635 . 0 0 "[ . 1]" 3
1075 1 53 ARG H 1 53 ARG HB3 3.343 . 4.740 3.465 2.896 3.791 . 0 0 "[ . 1]" 3
1076 2 53 ARG H 2 53 ARG HB3 3.343 . 4.740 3.465 2.896 3.790 . 0 0 "[ . 1]" 3
1077 1 53 ARG H 1 53 ARG HG3 3.739 . 5.486 3.605 2.576 4.898 . 0 0 "[ . 1]" 3
1078 2 53 ARG H 2 53 ARG HG3 3.739 . 5.486 3.605 2.578 4.900 . 0 0 "[ . 1]" 3
1079 1 77 ASP HB2 1 79 ALA H 4.410 . 6.841 5.848 5.782 6.063 . 0 0 "[ . 1]" 3
1080 2 77 ASP HB2 2 79 ALA H 4.410 . 6.841 5.849 5.783 6.063 . 0 0 "[ . 1]" 3
1081 1 14 ASP QB 1 16 ASN H 2.987 . 4.102 4.054 3.877 4.126 0.024 8 0 "[ . 1]" 3
1082 2 14 ASP QB 2 16 ASN H 2.987 . 4.102 4.054 3.878 4.127 0.025 8 0 "[ . 1]" 3
1083 1 90 ASP HB3 1 91 ASP H 2.534 . 3.337 2.481 1.722 3.009 0.009 9 0 "[ . 1]" 3
1084 2 90 ASP HB3 2 91 ASP H 2.534 . 3.337 2.481 1.723 3.008 0.008 9 0 "[ . 1]" 3
1085 1 90 ASP HB2 1 91 ASP H 2.889 . 3.932 3.346 1.912 3.982 0.050 8 0 "[ . 1]" 3
1086 2 90 ASP HB2 2 91 ASP H 2.889 . 3.932 3.346 1.913 3.980 0.048 8 0 "[ . 1]" 3
1087 1 43 PHE HB2 1 45 ALA H 3.202 . 4.484 3.911 3.801 4.023 . 0 0 "[ . 1]" 3
1088 2 43 PHE HB2 2 45 ALA H 3.202 . 4.484 3.910 3.800 4.025 . 0 0 "[ . 1]" 3
1089 1 77 ASP H 1 77 ASP HB2 2.415 . 3.144 2.428 2.053 2.511 . 0 0 "[ . 1]" 3
1090 2 77 ASP H 2 77 ASP HB2 2.415 . 3.144 2.429 2.053 2.510 . 0 0 "[ . 1]" 3
1091 1 43 PHE H 1 43 PHE HB2 2.483 . 3.253 2.343 2.326 2.361 . 0 0 "[ . 1]" 3
1092 2 43 PHE H 2 43 PHE HB2 2.483 . 3.253 2.343 2.324 2.364 . 0 0 "[ . 1]" 3
1093 1 20 ASN H 1 20 ASN HB3 3.066 . 4.241 3.607 3.450 3.829 . 0 0 "[ . 1]" 3
1094 2 20 ASN H 2 20 ASN HB3 3.066 . 4.241 3.607 3.449 3.828 . 0 0 "[ . 1]" 3
1095 1 51 GLU HB3 1 52 THR H 3.208 . 4.494 3.795 2.913 4.100 . 0 0 "[ . 1]" 3
1096 2 51 GLU HB3 2 52 THR H 3.208 . 4.494 3.795 2.915 4.093 . 0 0 "[ . 1]" 3
1097 1 20 ASN HB3 1 95 ALA H 3.228 . 4.531 3.808 2.691 4.335 . 0 0 "[ . 1]" 3
1098 2 20 ASN HB3 2 95 ALA H 3.228 . 4.531 3.808 2.692 4.334 . 0 0 "[ . 1]" 3
1099 1 74 PRO HB3 1 76 GLY H 3.977 . 5.954 3.180 3.119 3.259 . 0 0 "[ . 1]" 3
1100 2 74 PRO HB3 2 76 GLY H 3.977 . 5.954 3.181 3.120 3.258 . 0 0 "[ . 1]" 3
1101 1 54 PRO HB3 1 55 ALA H 2.706 . 3.621 2.884 2.441 3.225 . 0 0 "[ . 1]" 3
1102 2 54 PRO HB3 2 55 ALA H 2.706 . 3.621 2.884 2.441 3.224 . 0 0 "[ . 1]" 3
1103 1 12 GLU QG 1 13 ARG H 2.957 . 4.050 3.870 3.620 4.070 0.020 7 0 "[ . 1]" 3
1104 2 12 GLU QG 2 13 ARG H 2.957 . 4.050 3.871 3.619 4.071 0.021 7 0 "[ . 1]" 3
1105 1 12 GLU HB3 1 13 ARG H 2.665 . 3.553 2.758 1.930 3.114 . 0 0 "[ . 1]" 3
1106 2 12 GLU HB3 2 13 ARG H 2.665 . 3.553 2.758 1.929 3.115 . 0 0 "[ . 1]" 3
1107 1 54 PRO HG3 1 55 ALA H 3.363 . 4.776 4.685 4.489 4.858 0.082 1 0 "[ . 1]" 3
1108 2 54 PRO HG3 2 55 ALA H 3.363 . 4.776 4.685 4.487 4.858 0.082 1 0 "[ . 1]" 3
1109 1 17 ALA H 1 73 VAL HB 3.772 . 5.550 4.187 4.023 4.255 . 0 0 "[ . 1]" 3
1110 2 17 ALA H 2 73 VAL HB 3.772 . 5.550 4.187 4.022 4.258 . 0 0 "[ . 1]" 3
1111 1 12 GLU HB3 1 17 ALA H 3.431 . 4.902 4.580 3.372 5.123 0.221 8 0 "[ . 1]" 3
1112 2 12 GLU HB3 2 17 ALA H 3.431 . 4.902 4.580 3.373 5.124 0.222 8 0 "[ . 1]" 3
1113 1 11 GLU QB 1 12 GLU H 2.180 . 2.774 2.687 2.152 3.675 0.901 6 1 "[ .+ 1]" 3
1114 2 11 GLU QB 2 12 GLU H 2.180 . 2.774 2.686 2.151 3.674 0.900 6 1 "[ .+ 1]" 3
1115 1 6 GLU QG 1 7 ALA H 2.547 . 3.358 1.986 1.581 3.485 0.155 10 0 "[ . 1]" 3
1116 2 6 GLU QG 2 7 ALA H 2.547 . 3.358 1.987 1.582 3.487 0.154 10 0 "[ . 1]" 3
1117 1 51 GLU HB2 1 68 PHE H 3.780 . 5.566 4.732 2.505 5.543 . 0 0 "[ . 1]" 3
1118 2 51 GLU HB2 2 68 PHE H 3.780 . 5.566 4.732 2.503 5.544 . 0 0 "[ . 1]" 3
1119 1 72 GLU QG 1 73 VAL H 2.777 . 3.741 3.307 3.083 3.746 0.005 9 0 "[ . 1]" 3
1120 2 72 GLU QG 2 73 VAL H 2.777 . 3.741 3.307 3.083 3.748 0.007 9 0 "[ . 1]" 3
1121 1 58 PRO HB2 1 59 LEU H 2.833 . 3.836 2.379 1.640 3.160 0.190 10 0 "[ . 1]" 3
1122 2 58 PRO HB2 2 59 LEU H 2.833 . 3.836 2.380 1.639 3.160 0.191 10 0 "[ . 1]" 3
1123 1 56 GLN HG3 1 57 ARG H 2.849 . 3.864 2.762 1.803 4.212 0.348 2 0 "[ . 1]" 3
1124 2 56 GLN HG3 2 57 ARG H 2.849 . 3.864 2.762 1.804 4.213 0.349 2 0 "[ . 1]" 3
1125 1 6 GLU H 1 6 GLU HB3 2.012 . 2.518 2.704 1.977 3.418 0.900 5 3 "[ * + - 1]" 3
1126 2 6 GLU H 2 6 GLU HB3 2.012 . 2.518 2.704 1.977 3.420 0.902 5 3 "[ * + - 1]" 3
1127 1 17 ALA MB 1 75 SER H 3.358 . 4.768 3.929 3.751 4.028 . 0 0 "[ . 1]" 3
1128 2 17 ALA MB 2 75 SER H 3.358 . 4.768 3.928 3.753 4.025 . 0 0 "[ . 1]" 3
1129 1 56 GLN H 1 56 GLN HG2 2.568 . 3.392 2.766 1.990 3.271 . 0 0 "[ . 1]" 3
1130 2 56 GLN H 2 56 GLN HG2 2.568 . 3.392 2.766 1.992 3.271 . 0 0 "[ . 1]" 3
1131 1 74 PRO HB2 1 78 LEU H 4.133 . 6.269 3.602 3.562 3.649 . 0 0 "[ . 1]" 3
1132 2 74 PRO HB2 2 78 LEU H 4.133 . 6.269 3.602 3.564 3.648 . 0 0 "[ . 1]" 3
1133 1 51 GLU H 1 51 GLU HB2 3.129 . 4.353 3.829 2.931 3.991 . 0 0 "[ . 1]" 3
1134 2 51 GLU H 2 51 GLU HB2 3.129 . 4.353 3.830 2.931 3.990 . 0 0 "[ . 1]" 3
1135 1 12 GLU QG 1 16 ASN H 3.222 . 4.520 4.372 4.260 4.844 0.324 7 0 "[ . 1]" 3
1136 2 12 GLU QG 2 16 ASN H 3.222 . 4.520 4.372 4.261 4.842 0.322 7 0 "[ . 1]" 3
1137 1 12 GLU HB3 1 16 ASN H 3.438 . 4.915 3.094 2.742 3.437 . 0 0 "[ . 1]" 3
1138 2 12 GLU HB3 2 16 ASN H 3.438 . 4.915 3.093 2.740 3.436 . 0 0 "[ . 1]" 3
1139 1 44 GLU HB3 1 45 ALA H 3.040 . 4.196 4.489 4.415 4.551 0.355 1 0 "[ . 1]" 3
1140 2 44 GLU HB3 2 45 ALA H 3.040 . 4.196 4.490 4.416 4.550 0.354 1 0 "[ . 1]" 3
1141 1 4 PRO HB3 1 5 LEU H 2.841 . 3.850 3.890 3.791 4.010 0.160 10 0 "[ . 1]" 3
1142 2 4 PRO HB3 2 5 LEU H 2.841 . 3.850 3.889 3.790 4.011 0.161 10 0 "[ . 1]" 3
1143 1 4 PRO HG2 1 5 LEU H 2.440 . 3.184 1.851 1.700 2.114 . 0 0 "[ . 1]" 3
1144 2 4 PRO HG2 2 5 LEU H 2.440 . 3.184 1.851 1.698 2.115 . 0 0 "[ . 1]" 3
1145 1 74 PRO HB2 1 77 ASP H 2.956 . 4.048 1.971 1.886 2.040 . 0 0 "[ . 1]" 3
1146 2 74 PRO HB2 2 77 ASP H 2.956 . 4.048 1.972 1.886 2.037 . 0 0 "[ . 1]" 3
1147 1 72 GLU H 1 72 GLU HB3 3.212 . 4.502 2.730 2.616 2.847 . 0 0 "[ . 1]" 3
1148 2 72 GLU H 2 72 GLU HB3 3.212 . 4.502 2.730 2.617 2.848 . 0 0 "[ . 1]" 3
1149 1 44 GLU H 1 44 GLU QG 2.268 . 2.911 2.605 2.515 2.686 . 0 0 "[ . 1]" 3
1150 2 44 GLU H 2 44 GLU QG 2.268 . 2.911 2.605 2.515 2.686 . 0 0 "[ . 1]" 3
1151 1 56 GLN HE21 1 56 GLN HG2 2.461 . 3.218 2.487 2.234 3.460 0.242 9 0 "[ . 1]" 3
1152 2 56 GLN HE21 2 56 GLN HG2 2.461 . 3.218 2.487 2.235 3.458 0.240 9 0 "[ . 1]" 3
1153 1 56 GLN HE22 1 56 GLN HG2 2.615 . 3.470 3.592 3.481 4.049 0.579 9 1 "[ . +1]" 3
1154 2 56 GLN HE22 2 56 GLN HG2 2.615 . 3.470 3.592 3.482 4.048 0.578 9 1 "[ . +1]" 3
1155 1 51 GLU HB2 1 52 THR H 2.708 . 3.625 2.833 2.559 3.546 . 0 0 "[ . 1]" 3
1156 2 51 GLU HB2 2 52 THR H 2.708 . 3.625 2.833 2.562 3.547 . 0 0 "[ . 1]" 3
1157 1 74 PRO HB2 1 76 GLY H 3.472 . 4.979 3.073 2.984 3.226 . 0 0 "[ . 1]" 3
1158 2 74 PRO HB2 2 76 GLY H 3.472 . 4.979 3.073 2.986 3.227 . 0 0 "[ . 1]" 3
1159 1 70 ARG H 1 70 ARG QB 2.880 . 3.917 2.786 2.601 3.209 . 0 0 "[ . 1]" 3
1160 2 70 ARG H 2 70 ARG QB 2.880 . 3.917 2.786 2.601 3.208 . 0 0 "[ . 1]" 3
1161 1 92 VAL HB 1 93 ARG H 2.761 . 3.714 2.733 2.022 3.931 0.217 10 0 "[ . 1]" 3
1162 2 92 VAL HB 2 93 ARG H 2.761 . 3.714 2.733 2.022 3.931 0.217 10 0 "[ . 1]" 3
1163 1 93 ARG H 1 93 ARG HG3 2.729 . 3.660 2.849 2.672 3.208 . 0 0 "[ . 1]" 3
1164 2 93 ARG H 2 93 ARG HG3 2.729 . 3.660 2.849 2.671 3.207 . 0 0 "[ . 1]" 3
1165 1 47 ILE H 1 47 ILE HB 2.202 . 2.808 2.872 2.846 2.893 0.085 2 0 "[ . 1]" 3
1166 2 47 ILE H 2 47 ILE HB 2.202 . 2.808 2.872 2.845 2.894 0.086 2 0 "[ . 1]" 3
1167 1 12 GLU HB2 1 13 ARG H 2.779 . 3.744 3.481 2.280 3.958 0.214 5 0 "[ . 1]" 3
1168 2 12 GLU HB2 2 13 ARG H 2.779 . 3.744 3.481 2.278 3.959 0.215 5 0 "[ . 1]" 3
1169 1 13 ARG H 1 13 ARG HB3 2.736 . 3.672 2.365 2.242 2.927 . 0 0 "[ . 1]" 3
1170 2 13 ARG H 2 13 ARG HB3 2.736 . 3.672 2.364 2.240 2.926 . 0 0 "[ . 1]" 3
1171 1 69 VAL H 1 69 VAL HB 2.721 . 3.646 2.957 2.920 3.001 . 0 0 "[ . 1]" 3
1172 2 69 VAL H 2 69 VAL HB 2.721 . 3.646 2.957 2.920 3.002 . 0 0 "[ . 1]" 3
1173 1 19 LEU H 1 72 GLU HB2 3.330 . 4.716 4.750 4.659 4.831 0.115 6 0 "[ . 1]" 3
1174 2 19 LEU H 2 72 GLU HB2 3.330 . 4.716 4.751 4.660 4.830 0.114 6 0 "[ . 1]" 3
1175 1 33 LEU H 1 33 LEU HB3 3.939 . 5.878 3.463 3.146 3.603 . 0 0 "[ . 1]" 3
1176 2 33 LEU H 2 33 LEU HB3 3.939 . 5.878 3.466 3.152 3.602 . 0 0 "[ . 1]" 3
1177 1 70 ARG QB 1 71 PHE H 2.747 . 3.690 3.445 3.131 3.612 . 0 0 "[ . 1]" 3
1178 2 70 ARG QB 2 71 PHE H 2.747 . 3.690 3.445 3.130 3.612 . 0 0 "[ . 1]" 3
1179 1 12 GLU H 1 12 GLU HB2 2.106 . 2.660 2.898 2.492 3.449 0.789 6 3 "[ .+*- 1]" 3
1180 2 12 GLU H 2 12 GLU HB2 2.106 . 2.660 2.898 2.490 3.450 0.790 6 3 "[ .+*- 1]" 3
1181 1 21 LEU H 1 69 VAL HB 2.883 . 3.922 2.899 2.631 3.033 . 0 0 "[ . 1]" 3
1182 2 21 LEU H 2 69 VAL HB 2.883 . 3.922 2.900 2.633 3.034 . 0 0 "[ . 1]" 3
1183 1 85 VAL H 1 85 VAL HB 2.401 . 3.122 1.992 1.979 2.007 . 0 0 "[ . 1]" 3
1184 2 85 VAL H 2 85 VAL HB 2.401 . 3.122 1.992 1.979 2.007 . 0 0 "[ . 1]" 3
1185 1 25 LEU H 1 25 LEU HB2 3.125 . 4.346 3.080 2.631 3.873 . 0 0 "[ . 1]" 3
1186 2 25 LEU H 2 25 LEU HB2 3.125 . 4.346 3.080 2.632 3.875 . 0 0 "[ . 1]" 3
1187 1 25 LEU H 1 25 LEU HB3 2.962 . 4.059 3.738 3.542 3.893 . 0 0 "[ . 1]" 3
1188 2 25 LEU H 2 25 LEU HB3 2.962 . 4.059 3.738 3.542 3.893 . 0 0 "[ . 1]" 3
1189 1 22 LEU H 1 93 ARG HG3 2.788 . 3.760 3.781 3.439 3.998 0.238 9 0 "[ . 1]" 3
1190 2 22 LEU H 2 93 ARG HG3 2.788 . 3.760 3.781 3.438 3.999 0.239 9 0 "[ . 1]" 3
1191 1 21 LEU HB3 1 22 LEU H 2.721 . 3.646 3.410 3.288 3.563 . 0 0 "[ . 1]" 3
1192 2 21 LEU HB3 2 22 LEU H 2.721 . 3.646 3.409 3.286 3.561 . 0 0 "[ . 1]" 3
1193 1 46 LYS H 1 46 LYS HB2 2.292 . 2.948 2.604 2.504 2.664 . 0 0 "[ . 1]" 3
1194 2 46 LYS H 2 46 LYS HB2 2.292 . 2.948 2.605 2.504 2.665 . 0 0 "[ . 1]" 3
1195 1 72 GLU HB2 1 73 VAL H 2.769 . 3.727 3.209 3.094 3.344 . 0 0 "[ . 1]" 3
1196 2 72 GLU HB2 2 73 VAL H 2.769 . 3.727 3.209 3.093 3.344 . 0 0 "[ . 1]" 3
1197 1 58 PRO HB3 1 59 LEU H 2.822 . 3.817 3.654 3.272 3.932 0.115 3 0 "[ . 1]" 3
1198 2 58 PRO HB3 2 59 LEU H 2.822 . 3.817 3.655 3.272 3.931 0.114 3 0 "[ . 1]" 3
1199 1 35 ARG H 1 35 ARG QB 2.695 . 3.603 2.403 2.226 2.707 . 0 0 "[ . 1]" 3
1200 2 35 ARG H 2 35 ARG QB 2.695 . 3.603 2.404 2.229 2.706 . 0 0 "[ . 1]" 3
1201 1 56 GLN HB3 1 57 ARG H 2.381 . 3.089 3.270 2.386 3.943 0.854 2 1 "[ + . 1]" 3
1202 2 56 GLN HB3 2 57 ARG H 2.381 . 3.089 3.270 2.387 3.942 0.853 2 1 "[ + . 1]" 3
1203 1 5 LEU HB2 1 6 GLU H 2.652 . 3.531 3.335 2.608 3.902 0.371 9 0 "[ . 1]" 3
1204 2 5 LEU HB2 2 6 GLU H 2.652 . 3.531 3.334 2.609 3.902 0.371 9 0 "[ . 1]" 3
1205 1 11 GLU H 1 11 GLU QB 2.366 . 3.066 2.928 2.487 3.018 . 0 0 "[ . 1]" 3
1206 2 11 GLU H 2 11 GLU QB 2.366 . 3.066 2.927 2.487 3.017 . 0 0 "[ . 1]" 3
1207 1 25 LEU HB3 1 26 ARG H 2.628 . 3.492 2.644 1.848 3.719 0.227 1 0 "[ . 1]" 3
1208 2 25 LEU HB3 2 26 ARG H 2.628 . 3.492 2.644 1.848 3.723 0.231 1 0 "[ . 1]" 3
1209 1 9 VAL HB 1 10 PHE H 2.613 . 3.466 1.944 1.686 2.611 0.074 10 0 "[ . 1]" 3
1210 2 9 VAL HB 2 10 PHE H 2.613 . 3.466 1.944 1.688 2.611 0.072 10 0 "[ . 1]" 3
1211 1 78 LEU H 1 78 LEU HB2 2.755 . 3.704 2.341 2.296 2.365 . 0 0 "[ . 1]" 3
1212 2 78 LEU H 2 78 LEU HB2 2.755 . 3.704 2.341 2.296 2.363 . 0 0 "[ . 1]" 3
1213 1 66 GLU H 1 66 GLU HB3 2.840 . 3.849 3.664 3.357 3.939 0.090 5 0 "[ . 1]" 3
1214 2 66 GLU H 2 66 GLU HB3 2.840 . 3.849 3.664 3.357 3.939 0.090 5 0 "[ . 1]" 3
1215 1 78 LEU HB2 1 79 ALA H 2.585 . 3.420 3.313 3.262 3.343 . 0 0 "[ . 1]" 3
1216 2 78 LEU HB2 2 79 ALA H 2.585 . 3.420 3.313 3.262 3.340 . 0 0 "[ . 1]" 3
1217 1 92 VAL H 1 92 VAL HB 2.383 . 3.093 3.077 2.588 3.273 0.180 5 0 "[ . 1]" 3
1218 2 92 VAL H 2 92 VAL HB 2.383 . 3.093 3.077 2.588 3.273 0.180 5 0 "[ . 1]" 3
1219 1 12 GLU HB2 1 16 ASN H 3.196 . 4.472 4.183 2.293 4.783 0.311 8 0 "[ . 1]" 3
1220 2 12 GLU HB2 2 16 ASN H 3.196 . 4.472 4.182 2.295 4.784 0.312 8 0 "[ . 1]" 3
1221 1 13 ARG HB3 1 16 ASN H 3.101 . 4.303 4.181 4.007 4.287 . 0 0 "[ . 1]" 3
1222 2 13 ARG HB3 2 16 ASN H 3.101 . 4.303 4.180 4.007 4.285 . 0 0 "[ . 1]" 3
1223 1 38 LYS HB2 1 39 VAL H 2.427 . 3.163 3.075 2.901 3.197 0.034 8 0 "[ . 1]" 3
1224 2 38 LYS HB2 2 39 VAL H 2.427 . 3.163 3.075 2.900 3.195 0.032 8 0 "[ . 1]" 3
1225 1 66 GLU HB3 1 67 TYR H 2.563 . 3.384 3.185 2.004 3.941 0.557 3 1 "[ + . 1]" 3
1226 2 66 GLU HB3 2 67 TYR H 2.563 . 3.384 3.185 2.001 3.941 0.557 3 1 "[ + . 1]" 3
1227 1 4 PRO HB2 1 5 LEU H 2.759 . 3.710 2.964 2.755 3.146 . 0 0 "[ . 1]" 3
1228 2 4 PRO HB2 2 5 LEU H 2.759 . 3.710 2.963 2.755 3.144 . 0 0 "[ . 1]" 3
1229 1 5 LEU H 1 5 LEU HB2 2.091 . 2.638 2.257 2.171 2.360 . 0 0 "[ . 1]" 3
1230 2 5 LEU H 2 5 LEU HB2 2.091 . 2.638 2.257 2.172 2.360 . 0 0 "[ . 1]" 3
1231 1 49 HIS H 1 70 ARG QB 2.777 . 3.741 2.562 2.028 3.609 . 0 0 "[ . 1]" 3
1232 2 49 HIS H 2 70 ARG QB 2.777 . 3.741 2.562 2.029 3.608 . 0 0 "[ . 1]" 3
1233 1 84 SER H 1 87 ARG HB2 3.163 . 4.414 4.449 4.421 4.492 0.078 4 0 "[ . 1]" 3
1234 2 84 SER H 2 87 ARG HB2 3.163 . 4.414 4.449 4.422 4.492 0.078 4 0 "[ . 1]" 3
1235 1 84 SER H 1 85 VAL HB 3.059 . 4.229 4.156 4.121 4.196 . 0 0 "[ . 1]" 3
1236 2 84 SER H 2 85 VAL HB 3.059 . 4.229 4.156 4.120 4.194 . 0 0 "[ . 1]" 3
1237 1 46 LYS HB2 1 72 GLU H 2.899 . 3.950 3.781 3.712 3.914 . 0 0 "[ . 1]" 3
1238 2 46 LYS HB2 2 72 GLU H 2.899 . 3.950 3.782 3.712 3.914 . 0 0 "[ . 1]" 3
1239 1 93 ARG HB2 1 94 SER H 2.192 . 2.793 2.172 1.958 2.567 . 0 0 "[ . 1]" 3
1240 2 93 ARG HB2 2 94 SER H 2.192 . 2.793 2.172 1.956 2.566 . 0 0 "[ . 1]" 3
1241 1 93 ARG HG3 1 94 SER H 2.760 . 3.712 3.385 3.111 3.512 . 0 0 "[ . 1]" 3
1242 2 93 ARG HG3 2 94 SER H 2.760 . 3.712 3.385 3.108 3.511 . 0 0 "[ . 1]" 3
1243 1 19 LEU HB3 1 20 ASN H 2.592 . 3.432 3.370 3.036 3.486 0.054 4 0 "[ . 1]" 3
1244 2 19 LEU HB3 2 20 ASN H 2.592 . 3.432 3.370 3.037 3.484 0.052 4 0 "[ . 1]" 3
1245 1 39 VAL HB 1 40 PHE H 2.653 . 3.533 2.259 2.225 2.289 . 0 0 "[ . 1]" 3
1246 2 39 VAL HB 2 40 PHE H 2.653 . 3.533 2.259 2.227 2.288 . 0 0 "[ . 1]" 3
1247 1 23 PHE H 1 67 TYR QB 3.324 . 3.533 3.238 2.534 3.501 . 0 0 "[ . 1]" 3
1248 2 23 PHE H 2 67 TYR QB 3.324 . 3.533 3.238 2.532 3.500 . 0 0 "[ . 1]" 3
1249 1 82 LEU HB3 1 83 SER H 2.684 . 3.584 3.316 3.221 3.418 . 0 0 "[ . 1]" 3
1250 2 82 LEU HB3 2 83 SER H 2.684 . 3.584 3.316 3.219 3.419 . 0 0 "[ . 1]" 3
1251 1 93 ARG H 1 93 ARG HG2 2.678 . 3.574 2.462 2.097 2.662 . 0 0 "[ . 1]" 3
1252 2 93 ARG H 2 93 ARG HG2 2.678 . 3.574 2.462 2.098 2.663 . 0 0 "[ . 1]" 3
1253 1 47 ILE H 1 47 ILE HG13 2.515 . 3.306 3.377 3.341 3.415 0.109 8 0 "[ . 1]" 3
1254 2 47 ILE H 2 47 ILE HG13 2.515 . 3.306 3.378 3.342 3.414 0.108 8 0 "[ . 1]" 3
1255 1 55 ALA H 1 65 LEU QB 3.404 . 4.853 3.980 2.122 4.851 . 0 0 "[ . 1]" 3
1256 2 55 ALA H 2 65 LEU QB 3.404 . 4.853 3.980 2.120 4.851 . 0 0 "[ . 1]" 3
1257 1 13 ARG H 1 13 ARG HB2 2.924 . 3.992 3.290 3.093 3.749 . 0 0 "[ . 1]" 3
1258 2 13 ARG H 2 13 ARG HB2 2.924 . 3.992 3.289 3.093 3.750 . 0 0 "[ . 1]" 3
1259 1 13 ARG H 1 13 ARG HG2 3.565 . 5.154 3.963 3.659 4.104 . 0 0 "[ . 1]" 3
1260 2 13 ARG H 2 13 ARG HG2 3.565 . 5.154 3.963 3.658 4.103 . 0 0 "[ . 1]" 3
1261 1 19 LEU H 1 19 LEU HB2 3.625 . 5.267 3.939 3.848 4.022 . 0 0 "[ . 1]" 3
1262 2 19 LEU H 2 19 LEU HB2 3.625 . 5.267 3.939 3.848 4.022 . 0 0 "[ . 1]" 3
1263 1 59 LEU HB2 1 60 ALA H 2.913 . 3.974 2.932 1.934 4.154 0.180 1 0 "[ . 1]" 3
1264 2 59 LEU HB2 2 60 ALA H 2.913 . 3.974 2.933 1.935 4.153 0.179 1 0 "[ . 1]" 3
1265 1 60 ALA H 1 60 ALA MB 2.425 . 3.160 2.824 2.516 3.015 . 0 0 "[ . 1]" 3
1266 2 60 ALA H 2 60 ALA MB 2.425 . 3.160 2.824 2.517 3.016 . 0 0 "[ . 1]" 3
1267 1 7 ALA H 1 7 ALA MB 2.129 . 2.695 2.435 2.218 2.664 . 0 0 "[ . 1]" 3
1268 2 7 ALA H 2 7 ALA MB 2.129 . 2.695 2.435 2.218 2.664 . 0 0 "[ . 1]" 3
1269 1 21 LEU H 1 21 LEU HB2 3.301 . 4.663 2.776 2.683 2.850 . 0 0 "[ . 1]" 3
1270 2 21 LEU H 2 21 LEU HB2 3.301 . 4.663 2.777 2.683 2.852 . 0 0 "[ . 1]" 3
1271 1 80 ALA MB 1 81 LEU H 2.292 . 2.948 2.264 2.250 2.284 . 0 0 "[ . 1]" 3
1272 2 80 ALA MB 2 81 LEU H 2.292 . 2.948 2.263 2.251 2.286 . 0 0 "[ . 1]" 3
1273 1 21 LEU HB2 1 22 LEU H 3.103 . 4.306 4.365 4.271 4.439 0.133 5 0 "[ . 1]" 3
1274 2 21 LEU HB2 2 22 LEU H 3.103 . 4.306 4.364 4.268 4.436 0.130 5 0 "[ . 1]" 3
1275 1 46 LYS H 1 46 LYS QG 2.494 . 3.271 2.548 2.399 2.682 . 0 0 "[ . 1]" 3
1276 2 46 LYS H 2 46 LYS QG 2.494 . 3.271 2.548 2.400 2.680 . 0 0 "[ . 1]" 3
1277 1 35 ARG H 1 35 ARG QG 3.759 . 5.525 3.177 1.846 3.985 0.147 3 0 "[ . 1]" 3
1278 2 35 ARG H 2 35 ARG QG 3.759 . 5.525 3.179 1.845 3.986 0.148 3 0 "[ . 1]" 3
1279 1 57 ARG H 1 57 ARG HG2 2.383 . 3.093 2.405 1.639 3.205 0.112 3 0 "[ . 1]" 3
1280 2 57 ARG H 2 57 ARG HG2 2.383 . 3.093 2.405 1.640 3.203 0.110 3 0 "[ . 1]" 3
1281 1 26 ARG H 1 26 ARG HG3 3.174 . 4.433 4.033 2.869 4.969 0.536 5 1 "[ + 1]" 3
1282 2 26 ARG H 2 26 ARG HG3 3.174 . 4.433 4.031 2.869 4.968 0.535 5 1 "[ + 1]" 3
1283 1 65 LEU H 1 65 LEU QB 2.450 . 3.200 2.714 2.177 3.214 0.014 2 0 "[ . 1]" 3
1284 2 65 LEU H 2 65 LEU QB 2.450 . 3.200 2.714 2.178 3.214 0.014 2 0 "[ . 1]" 3
1285 1 65 LEU QB 1 66 GLU H 3.035 . 4.186 2.946 2.160 3.260 . 0 0 "[ . 1]" 3
1286 2 65 LEU QB 2 66 GLU H 3.035 . 4.186 2.946 2.160 3.260 . 0 0 "[ . 1]" 3
1287 1 79 ALA H 1 79 ALA MB 1.985 . 2.477 2.180 2.171 2.193 . 0 0 "[ . 1]" 3
1288 2 79 ALA H 2 79 ALA MB 1.985 . 2.477 2.180 2.171 2.194 . 0 0 "[ . 1]" 3
1289 1 81 LEU HB2 1 82 LEU H 3.212 . 4.501 3.835 3.780 3.867 . 0 0 "[ . 1]" 3
1290 2 81 LEU HB2 2 82 LEU H 3.212 . 4.501 3.835 3.780 3.867 . 0 0 "[ . 1]" 3
1291 1 7 ALA MB 1 8 VAL H 2.320 . 2.993 2.569 1.845 2.939 . 0 0 "[ . 1]" 3
1292 2 7 ALA MB 2 8 VAL H 2.320 . 2.993 2.569 1.847 2.939 . 0 0 "[ . 1]" 3
1293 1 50 LEU HB2 1 51 GLU H 3.799 . 5.603 4.202 3.940 4.283 . 0 0 "[ . 1]" 3
1294 2 50 LEU HB2 2 51 GLU H 3.799 . 5.603 4.203 3.941 4.285 . 0 0 "[ . 1]" 3
1295 1 13 ARG HB2 1 16 ASN H 3.603 . 5.225 5.305 5.180 5.366 0.141 4 0 "[ . 1]" 3
1296 2 13 ARG HB2 2 16 ASN H 3.603 . 5.225 5.305 5.182 5.366 0.141 4 0 "[ . 1]" 3
1297 1 77 ASP H 1 78 LEU HB2 3.056 . 4.224 4.403 4.365 4.443 0.219 2 0 "[ . 1]" 3
1298 2 77 ASP H 2 78 LEU HB2 3.056 . 4.224 4.403 4.365 4.445 0.221 2 0 "[ . 1]" 3
1299 1 77 ASP H 1 80 ALA MB 3.513 . 5.056 4.326 4.265 4.357 . 0 0 "[ . 1]" 3
1300 2 77 ASP H 2 80 ALA MB 3.513 . 5.056 4.326 4.265 4.356 . 0 0 "[ . 1]" 3
1301 1 41 GLU H 1 45 ALA MB 3.466 . 4.968 4.733 4.680 4.770 . 0 0 "[ . 1]" 3
1302 2 41 GLU H 2 45 ALA MB 3.466 . 4.968 4.734 4.681 4.771 . 0 0 "[ . 1]" 3
1303 1 45 ALA MB 1 72 GLU H 3.409 . 4.861 3.316 3.208 3.432 . 0 0 "[ . 1]" 3
1304 2 45 ALA MB 2 72 GLU H 3.409 . 4.861 3.316 3.208 3.434 . 0 0 "[ . 1]" 3
1305 1 60 ALA MB 1 62 SER H 3.858 . 5.718 4.401 4.025 4.834 . 0 0 "[ . 1]" 3
1306 2 60 ALA MB 2 62 SER H 3.858 . 5.718 4.400 4.025 4.834 . 0 0 "[ . 1]" 3
1307 1 19 LEU HB2 1 20 ASN H 2.577 . 3.407 1.944 1.843 2.072 . 0 0 "[ . 1]" 3
1308 2 19 LEU HB2 2 20 ASN H 2.577 . 3.407 1.944 1.841 2.072 . 0 0 "[ . 1]" 3
1309 1 44 GLU H 1 45 ALA MB 3.417 . 4.877 4.424 4.361 4.523 . 0 0 "[ . 1]" 3
1310 2 44 GLU H 2 45 ALA MB 3.417 . 4.877 4.423 4.361 4.524 . 0 0 "[ . 1]" 3
1311 1 22 LEU HB3 1 23 PHE H 2.836 . 3.841 2.632 2.355 2.754 . 0 0 "[ . 1]" 3
1312 2 22 LEU HB3 2 23 PHE H 2.836 . 3.841 2.632 2.355 2.753 . 0 0 "[ . 1]" 3
1313 1 22 LEU QD 1 69 VAL H 3.006 . 4.135 3.303 3.049 3.414 . 0 0 "[ . 1]" 3
1314 2 22 LEU QD 2 69 VAL H 3.006 . 4.135 3.303 3.049 3.414 . 0 0 "[ . 1]" 3
1315 1 19 LEU H 1 19 LEU HG 2.825 . 3.823 2.978 2.438 3.373 . 0 0 "[ . 1]" 3
1316 2 19 LEU H 2 19 LEU HG 2.825 . 3.823 2.978 2.438 3.374 . 0 0 "[ . 1]" 3
1317 1 33 LEU H 1 33 LEU HB2 3.226 . 4.527 2.271 2.123 2.582 . 0 0 "[ . 1]" 3
1318 2 33 LEU H 2 33 LEU HB2 3.226 . 4.527 2.273 2.123 2.582 . 0 0 "[ . 1]" 3
1319 1 81 LEU H 1 82 LEU HB2 3.125 . 4.346 4.147 4.123 4.183 . 0 0 "[ . 1]" 3
1320 2 81 LEU H 2 82 LEU HB2 3.125 . 4.346 4.148 4.129 4.182 . 0 0 "[ . 1]" 3
1321 1 73 VAL MG1 1 81 LEU H 3.428 . 4.897 4.027 3.990 4.060 . 0 0 "[ . 1]" 3
1322 2 73 VAL MG1 2 81 LEU H 3.428 . 4.897 4.027 3.989 4.056 . 0 0 "[ . 1]" 3
1323 1 67 TYR QB 1 68 PHE H 3.697 . 5.406 3.480 2.117 3.895 . 0 0 "[ . 1]" 3
1324 2 67 TYR QB 2 68 PHE H 3.697 . 5.406 3.480 2.117 3.895 . 0 0 "[ . 1]" 3
1325 1 73 VAL MG1 1 80 ALA H 3.360 . 4.771 4.590 4.564 4.605 . 0 0 "[ . 1]" 3
1326 2 73 VAL MG1 2 80 ALA H 3.360 . 4.771 4.589 4.564 4.607 . 0 0 "[ . 1]" 3
1327 1 78 LEU HB3 1 80 ALA H 3.217 . 4.511 4.213 4.170 4.239 . 0 0 "[ . 1]" 3
1328 2 78 LEU HB3 2 80 ALA H 3.217 . 4.511 4.213 4.172 4.239 . 0 0 "[ . 1]" 3
1329 1 78 LEU HG 1 79 ALA H 3.043 . 4.200 3.393 3.339 3.472 . 0 0 "[ . 1]" 3
1330 2 78 LEU HG 2 79 ALA H 3.043 . 4.200 3.393 3.338 3.471 . 0 0 "[ . 1]" 3
1331 1 78 LEU HB3 1 79 ALA H 2.810 . 3.797 1.844 1.808 1.882 0.015 6 0 "[ . 1]" 3
1332 2 78 LEU HB3 2 79 ALA H 2.810 . 3.797 1.843 1.810 1.882 0.013 6 0 "[ . 1]" 3
1333 1 82 LEU H 1 82 LEU HB2 2.754 . 3.702 2.125 2.113 2.138 . 0 0 "[ . 1]" 3
1334 2 82 LEU H 2 82 LEU HB2 2.754 . 3.702 2.125 2.112 2.137 . 0 0 "[ . 1]" 3
1335 1 67 TYR H 1 67 TYR QB 3.303 . 4.667 2.722 2.173 2.995 . 0 0 "[ . 1]" 3
1336 2 67 TYR H 2 67 TYR QB 3.303 . 4.667 2.722 2.174 2.996 . 0 0 "[ . 1]" 3
1337 1 73 VAL MG1 1 77 ASP H 2.917 . 3.981 3.656 3.591 3.779 . 0 0 "[ . 1]" 3
1338 2 73 VAL MG1 2 77 ASP H 2.917 . 3.981 3.656 3.591 3.777 . 0 0 "[ . 1]" 3
1339 1 82 LEU HB2 1 84 SER H 3.872 . 5.746 5.021 4.934 5.109 . 0 0 "[ . 1]" 3
1340 2 82 LEU HB2 2 84 SER H 3.872 . 5.746 5.021 4.935 5.107 . 0 0 "[ . 1]" 3
1341 1 19 LEU HG 1 20 ASN H 3.042 . 4.199 3.583 3.145 4.104 . 0 0 "[ . 1]" 3
1342 2 19 LEU HG 2 20 ASN H 3.042 . 4.199 3.583 3.146 4.105 . 0 0 "[ . 1]" 3
1343 1 82 LEU HB2 1 83 SER H 2.669 . 3.559 2.947 2.880 3.042 . 0 0 "[ . 1]" 3
1344 2 82 LEU HB2 2 83 SER H 2.669 . 3.559 2.947 2.880 3.045 . 0 0 "[ . 1]" 3
1345 1 69 VAL MG1 1 70 ARG H 2.529 . 3.328 2.130 2.105 2.256 . 0 0 "[ . 1]" 3
1346 2 69 VAL MG1 2 70 ARG H 2.529 . 3.328 2.130 2.104 2.256 . 0 0 "[ . 1]" 3
1347 1 92 VAL MG1 1 93 ARG H 2.311 . 2.978 1.981 1.600 2.388 0.044 4 0 "[ . 1]" 3
1348 2 92 VAL MG1 2 93 ARG H 2.311 . 2.978 1.982 1.600 2.387 0.044 4 0 "[ . 1]" 3
1349 1 47 ILE H 1 47 ILE MG 3.010 . 4.142 3.677 3.661 3.694 . 0 0 "[ . 1]" 3
1350 2 47 ILE H 2 47 ILE MG 3.010 . 4.142 3.677 3.662 3.695 . 0 0 "[ . 1]" 3
1351 1 55 ALA H 1 55 ALA MB 2.208 . 2.817 2.315 2.043 2.739 . 0 0 "[ . 1]" 3
1352 2 55 ALA H 2 55 ALA MB 2.208 . 2.817 2.315 2.042 2.741 . 0 0 "[ . 1]" 3
1353 1 13 ARG H 1 17 ALA MB 3.534 . 5.095 4.346 4.251 4.617 . 0 0 "[ . 1]" 3
1354 2 13 ARG H 2 17 ALA MB 3.534 . 5.095 4.346 4.252 4.616 . 0 0 "[ . 1]" 3
1355 1 69 VAL H 1 69 VAL MG2 2.683 . 3.583 2.604 2.508 2.704 . 0 0 "[ . 1]" 3
1356 2 69 VAL H 2 69 VAL MG2 2.683 . 3.583 2.604 2.509 2.704 . 0 0 "[ . 1]" 3
1357 1 18 VAL MG1 1 19 LEU H 2.269 . 2.913 2.525 2.263 2.790 . 0 0 "[ . 1]" 3
1358 2 18 VAL MG1 2 19 LEU H 2.269 . 2.913 2.525 2.263 2.790 . 0 0 "[ . 1]" 3
1359 1 55 ALA H 1 65 LEU MD1 2.571 . 3.398 3.280 2.875 3.428 0.030 7 0 "[ . 1]" 3
1360 2 55 ALA H 2 65 LEU MD1 2.571 . 3.398 3.280 2.875 3.426 0.028 7 0 "[ . 1]" 3
1361 1 12 GLU H 1 17 ALA MB 3.384 . 4.816 4.243 3.197 4.590 . 0 0 "[ . 1]" 3
1362 2 12 GLU H 2 17 ALA MB 3.384 . 4.816 4.243 3.197 4.590 . 0 0 "[ . 1]" 3
1363 1 59 LEU MD2 1 60 ALA H 3.191 . 4.464 4.134 3.818 4.325 . 0 0 "[ . 1]" 3
1364 2 59 LEU MD2 2 60 ALA H 3.191 . 4.464 4.134 3.819 4.326 . 0 0 "[ . 1]" 3
1365 1 7 ALA H 1 8 VAL QG 2.838 . 3.845 3.493 2.744 3.815 . 0 0 "[ . 1]" 3
1366 2 7 ALA H 2 8 VAL QG 2.838 . 3.845 3.493 2.742 3.814 . 0 0 "[ . 1]" 3
1367 1 21 LEU H 1 21 LEU MD2 2.995 . 4.116 3.011 2.717 3.186 . 0 0 "[ . 1]" 3
1368 2 21 LEU H 2 21 LEU MD2 2.995 . 4.116 3.012 2.732 3.187 . 0 0 "[ . 1]" 3
1369 1 21 LEU H 1 69 VAL MG2 3.173 . 4.431 3.980 3.702 4.116 . 0 0 "[ . 1]" 3
1370 2 21 LEU H 2 69 VAL MG2 3.173 . 4.431 3.979 3.703 4.117 . 0 0 "[ . 1]" 3
1371 1 39 VAL MG2 1 85 VAL H 2.842 . 3.852 2.358 2.185 2.502 . 0 0 "[ . 1]" 3
1372 2 39 VAL MG2 2 85 VAL H 2.842 . 3.852 2.358 2.182 2.501 . 0 0 "[ . 1]" 3
1373 1 85 VAL H 1 88 VAL MG2 3.046 . 4.206 4.012 3.952 4.049 . 0 0 "[ . 1]" 3
1374 2 85 VAL H 2 88 VAL MG2 3.046 . 4.206 4.012 3.952 4.048 . 0 0 "[ . 1]" 3
1375 1 81 LEU H 1 81 LEU HG 3.034 . 4.184 1.959 1.897 1.982 . 0 0 "[ . 1]" 3
1376 2 81 LEU H 2 81 LEU HG 3.034 . 4.184 1.958 1.897 1.980 . 0 0 "[ . 1]" 3
1377 1 25 LEU H 1 25 LEU MD1 3.447 . 4.932 3.030 2.230 3.595 . 0 0 "[ . 1]" 3
1378 2 25 LEU H 2 25 LEU MD1 3.447 . 4.932 3.031 2.232 3.595 . 0 0 "[ . 1]" 3
1379 1 25 LEU H 1 25 LEU MD2 3.335 . 4.725 1.946 1.536 2.522 0.409 10 0 "[ . 1]" 3
1380 2 25 LEU H 2 25 LEU MD2 3.335 . 4.725 1.946 1.537 2.523 0.408 10 0 "[ . 1]" 3
1381 1 21 LEU MD1 1 22 LEU H 2.550 . 3.363 3.215 3.128 3.285 . 0 0 "[ . 1]" 3
1382 2 21 LEU MD1 2 22 LEU H 2.550 . 3.363 3.214 3.128 3.282 . 0 0 "[ . 1]" 3
1383 1 68 PHE H 1 69 VAL MG2 3.018 . 4.157 3.667 2.608 3.902 . 0 0 "[ . 1]" 3
1384 2 68 PHE H 2 69 VAL MG2 3.018 . 4.157 3.667 2.607 3.900 . 0 0 "[ . 1]" 3
1385 1 73 VAL H 1 78 LEU MD1 3.471 . 4.977 3.033 2.897 3.187 . 0 0 "[ . 1]" 3
1386 2 73 VAL H 2 78 LEU MD1 3.471 . 4.977 3.033 2.897 3.185 . 0 0 "[ . 1]" 3
1387 1 59 LEU H 1 59 LEU MD1 2.595 . 3.437 2.590 1.569 3.251 0.184 4 0 "[ . 1]" 3
1388 2 59 LEU H 2 59 LEU MD1 2.595 . 3.437 2.590 1.567 3.252 0.186 4 0 "[ . 1]" 3
1389 1 80 ALA H 1 81 LEU HG 3.154 . 4.397 4.116 4.048 4.141 . 0 0 "[ . 1]" 3
1390 2 80 ALA H 2 81 LEU HG 3.154 . 4.397 4.116 4.047 4.142 . 0 0 "[ . 1]" 3
1391 1 80 ALA H 1 82 LEU MD2 4.002 . 6.004 4.869 4.797 4.947 . 0 0 "[ . 1]" 3
1392 2 80 ALA H 2 82 LEU MD2 4.002 . 6.004 4.868 4.797 4.945 . 0 0 "[ . 1]" 3
1393 1 35 ARG H 1 88 VAL MG1 3.699 . 5.409 4.154 3.819 4.442 . 0 0 "[ . 1]" 3
1394 2 35 ARG H 2 88 VAL MG1 3.699 . 5.409 4.156 3.821 4.446 . 0 0 "[ . 1]" 3
1395 1 17 ALA MB 1 18 VAL H 2.754 . 3.702 3.049 2.942 3.178 . 0 0 "[ . 1]" 3
1396 2 17 ALA MB 2 18 VAL H 2.754 . 3.702 3.049 2.942 3.179 . 0 0 "[ . 1]" 3
1397 1 90 ASP H 1 92 VAL MG2 3.141 . 4.374 2.916 2.305 3.333 . 0 0 "[ . 1]" 3
1398 2 90 ASP H 2 92 VAL MG2 3.141 . 4.374 2.917 2.306 3.330 . 0 0 "[ . 1]" 3
1399 1 25 LEU MD1 1 26 ARG H 3.653 . 5.321 3.992 3.315 4.859 . 0 0 "[ . 1]" 3
1400 2 25 LEU MD1 2 26 ARG H 3.653 . 5.321 3.992 3.314 4.861 . 0 0 "[ . 1]" 3
1401 1 65 LEU H 1 65 LEU MD2 2.686 . 3.588 3.278 2.354 3.650 0.062 8 0 "[ . 1]" 3
1402 2 65 LEU H 2 65 LEU MD2 2.686 . 3.588 3.278 2.354 3.650 0.062 8 0 "[ . 1]" 3
1403 1 9 VAL MG2 1 10 PHE H 2.335 . 3.016 2.606 1.715 2.968 . 0 0 "[ . 1]" 3
1404 2 9 VAL MG2 2 10 PHE H 2.335 . 3.016 2.607 1.714 2.969 . 0 0 "[ . 1]" 3
1405 1 52 THR MG 1 53 ARG H 2.717 . 3.640 2.941 2.289 3.286 . 0 0 "[ . 1]" 3
1406 2 52 THR MG 2 53 ARG H 2.717 . 3.640 2.941 2.289 3.286 . 0 0 "[ . 1]" 3
1407 1 65 LEU MD1 1 66 GLU H 2.741 . 3.680 2.352 1.717 3.472 0.085 6 0 "[ . 1]" 3
1408 2 65 LEU MD1 2 66 GLU H 2.741 . 3.680 2.352 1.717 3.472 0.085 6 0 "[ . 1]" 3
1409 1 79 ALA H 1 82 LEU MD2 2.769 . 3.728 3.594 3.533 3.617 . 0 0 "[ . 1]" 3
1410 2 79 ALA H 2 82 LEU MD2 2.769 . 3.728 3.593 3.532 3.616 . 0 0 "[ . 1]" 3
1411 1 81 LEU HG 1 82 LEU H 3.047 . 4.208 3.631 3.599 3.689 . 0 0 "[ . 1]" 3
1412 2 81 LEU HG 2 82 LEU H 3.047 . 4.208 3.632 3.600 3.689 . 0 0 "[ . 1]" 3
1413 1 82 LEU H 1 82 LEU MD1 2.550 . 3.363 2.421 2.375 2.452 . 0 0 "[ . 1]" 3
1414 2 82 LEU H 2 82 LEU MD1 2.550 . 3.363 2.422 2.376 2.453 . 0 0 "[ . 1]" 3
1415 1 92 VAL H 1 92 VAL MG2 2.099 . 2.650 2.018 1.345 2.628 0.203 4 0 "[ . 1]" 3
1416 2 92 VAL H 2 92 VAL MG2 2.099 . 2.650 2.017 1.345 2.626 0.203 4 0 "[ . 1]" 3
1417 1 8 VAL H 1 8 VAL QG 1.974 . 2.461 2.132 1.543 2.557 0.096 6 0 "[ . 1]" 3
1418 2 8 VAL H 2 8 VAL QG 1.974 . 2.461 2.132 1.541 2.557 0.096 6 0 "[ . 1]" 3
1419 1 42 THR H 1 42 THR MG 2.735 . 3.670 2.499 2.408 2.555 . 0 0 "[ . 1]" 3
1420 2 42 THR H 2 42 THR MG 2.735 . 3.670 2.499 2.408 2.553 . 0 0 "[ . 1]" 3
1421 1 16 ASN H 1 17 ALA MB 3.811 . 5.627 5.009 4.955 5.083 . 0 0 "[ . 1]" 3
1422 2 16 ASN H 2 17 ALA MB 3.811 . 5.627 5.009 4.957 5.082 . 0 0 "[ . 1]" 3
1423 1 16 ASN H 1 18 VAL MG2 3.877 . 5.756 4.840 4.694 5.014 . 0 0 "[ . 1]" 3
1424 2 16 ASN H 2 18 VAL MG2 3.877 . 5.756 4.840 4.695 5.013 . 0 0 "[ . 1]" 3
1425 1 22 LEU QD 1 67 TYR H 2.996 . 4.118 3.467 2.710 3.951 . 0 0 "[ . 1]" 3
1426 2 22 LEU QD 2 67 TYR H 2.996 . 4.118 3.468 2.710 3.951 . 0 0 "[ . 1]" 3
1427 1 5 LEU H 1 5 LEU MD1 2.639 . 3.510 3.431 3.405 3.466 . 0 0 "[ . 1]" 3
1428 2 5 LEU H 2 5 LEU MD1 2.639 . 3.510 3.431 3.406 3.467 . 0 0 "[ . 1]" 3
1429 1 59 LEU H 1 59 LEU HB2 2.330 . 3.009 2.517 2.189 3.451 0.442 4 0 "[ . 1]" 3
1430 2 59 LEU H 2 59 LEU HB2 2.330 . 3.009 2.517 2.191 3.450 0.441 4 0 "[ . 1]" 3
1431 1 47 ILE MG 1 49 HIS H 2.590 . 3.429 2.879 2.667 3.004 . 0 0 "[ . 1]" 3
1432 2 47 ILE MG 2 49 HIS H 2.590 . 3.429 2.879 2.665 3.003 . 0 0 "[ . 1]" 3
1433 1 39 VAL MG2 1 84 SER H 2.915 . 3.977 3.655 3.578 3.690 . 0 0 "[ . 1]" 3
1434 2 39 VAL MG2 2 84 SER H 2.915 . 3.977 3.654 3.577 3.689 . 0 0 "[ . 1]" 3
1435 1 41 GLU H 1 42 THR MG 3.290 . 4.643 4.198 3.912 4.366 . 0 0 "[ . 1]" 3
1436 2 41 GLU H 2 42 THR MG 3.290 . 4.643 4.199 3.913 4.365 . 0 0 "[ . 1]" 3
1437 1 42 THR MG 1 43 PHE H 3.519 . 5.067 1.876 1.721 1.930 0.250 10 0 "[ . 1]" 3
1438 2 42 THR MG 2 43 PHE H 3.519 . 5.067 1.877 1.722 1.932 0.249 10 0 "[ . 1]" 3
1439 1 24 SER H 1 25 LEU MD1 3.019 . 4.158 3.481 2.347 3.968 . 0 0 "[ . 1]" 3
1440 2 24 SER H 2 25 LEU MD1 3.019 . 4.158 3.481 2.346 3.969 . 0 0 "[ . 1]" 3
1441 1 39 VAL MG2 1 40 PHE H 3.632 . 5.281 3.777 3.759 3.795 . 0 0 "[ . 1]" 3
1442 2 39 VAL MG2 2 40 PHE H 3.632 . 5.281 3.777 3.759 3.795 . 0 0 "[ . 1]" 3
1443 1 42 THR MG 1 44 GLU H 4.159 . 6.321 4.042 3.988 4.110 . 0 0 "[ . 1]" 3
1444 2 42 THR MG 2 44 GLU H 4.159 . 6.321 4.043 3.987 4.110 . 0 0 "[ . 1]" 3
1445 1 37 VAL H 1 37 VAL QG 2.794 . 3.770 1.551 1.474 1.856 0.344 3 0 "[ . 1]" 3
1446 2 37 VAL H 2 37 VAL QG 2.794 . 3.770 1.555 1.472 1.870 0.346 3 0 "[ . 1]" 3
1447 1 50 LEU MD1 1 52 THR H 3.148 . 4.387 3.899 3.518 4.142 . 0 0 "[ . 1]" 3
1448 2 50 LEU MD1 2 52 THR H 3.148 . 4.387 3.899 3.517 4.141 . 0 0 "[ . 1]" 3
1449 1 47 ILE H 1 47 ILE MD 2.535 . 3.338 2.265 2.196 2.336 . 0 0 "[ . 1]" 3
1450 2 47 ILE H 2 47 ILE MD 2.535 . 3.338 2.265 2.194 2.336 . 0 0 "[ . 1]" 3
1451 1 19 LEU H 1 19 LEU QD 2.429 . 3.166 2.305 2.043 3.005 . 0 0 "[ . 1]" 3
1452 2 19 LEU H 2 19 LEU QD 2.429 . 3.166 2.305 2.041 3.005 . 0 0 "[ . 1]" 3
1453 1 39 VAL MG1 1 85 VAL H 3.244 . 4.015 3.009 2.920 3.062 . 0 0 "[ . 1]" 3
1454 2 39 VAL MG1 2 85 VAL H 3.244 . 4.015 3.010 2.920 3.062 . 0 0 "[ . 1]" 3
1455 1 81 LEU H 1 81 LEU HB3 2.652 . 3.531 3.114 3.105 3.128 . 0 0 "[ . 1]" 3
1456 2 81 LEU H 2 81 LEU HB3 2.652 . 3.531 3.114 3.104 3.130 . 0 0 "[ . 1]" 3
1457 1 19 LEU QD 1 73 VAL H 3.341 . 4.736 3.727 3.482 4.209 . 0 0 "[ . 1]" 3
1458 2 19 LEU QD 2 73 VAL H 3.341 . 4.736 3.728 3.483 4.208 . 0 0 "[ . 1]" 3
1459 1 80 ALA H 1 81 LEU HB3 3.835 . 5.673 5.746 5.736 5.764 0.091 8 0 "[ . 1]" 3
1460 2 80 ALA H 2 81 LEU HB3 3.835 . 5.673 5.746 5.737 5.764 0.091 8 0 "[ . 1]" 3
1461 1 80 ALA H 1 81 LEU MD1 3.123 . 4.342 3.802 3.769 3.839 . 0 0 "[ . 1]" 3
1462 2 80 ALA H 2 81 LEU MD1 3.123 . 4.342 3.802 3.770 3.840 . 0 0 "[ . 1]" 3
1463 1 18 VAL H 1 19 LEU QD 3.607 . 5.233 3.238 2.815 3.467 . 0 0 "[ . 1]" 3
1464 2 18 VAL H 2 19 LEU QD 3.607 . 5.233 3.238 2.814 3.468 . 0 0 "[ . 1]" 3
1465 1 78 LEU H 1 81 LEU MD2 3.758 . 5.523 5.236 5.202 5.276 . 0 0 "[ . 1]" 3
1466 2 78 LEU H 2 81 LEU MD2 3.758 . 5.523 5.236 5.203 5.277 . 0 0 "[ . 1]" 3
1467 1 11 GLU H 1 19 LEU QD 2.511 . 3.299 3.013 1.822 4.161 0.862 2 1 "[ + . 1]" 3
1468 2 11 GLU H 2 19 LEU QD 2.511 . 3.299 3.014 1.822 4.160 0.861 2 1 "[ + . 1]" 3
1469 1 85 VAL MG1 1 86 ARG H 2.673 . 3.566 2.902 2.674 3.075 . 0 0 "[ . 1]" 3
1470 2 85 VAL MG1 2 86 ARG H 2.673 . 3.566 2.902 2.674 3.073 . 0 0 "[ . 1]" 3
1471 1 39 VAL MG1 1 84 SER H 2.869 . 3.898 3.861 3.837 3.886 . 0 0 "[ . 1]" 3
1472 2 39 VAL MG1 2 84 SER H 2.869 . 3.898 3.862 3.837 3.886 . 0 0 "[ . 1]" 3
1473 1 84 SER H 1 85 VAL MG1 4.296 . 6.603 5.224 5.080 5.303 . 0 0 "[ . 1]" 3
1474 2 84 SER H 2 85 VAL MG1 4.296 . 6.603 5.224 5.080 5.302 . 0 0 "[ . 1]" 3
1475 1 39 VAL MG1 1 40 PHE H 3.247 . 4.565 2.464 2.400 2.515 . 0 0 "[ . 1]" 3
1476 2 39 VAL MG1 2 40 PHE H 3.247 . 4.565 2.464 2.401 2.514 . 0 0 "[ . 1]" 3
1477 1 81 LEU MD1 1 83 SER H 3.241 . 4.554 4.254 4.225 4.277 . 0 0 "[ . 1]" 3
1478 2 81 LEU MD1 2 83 SER H 3.241 . 4.554 4.253 4.224 4.278 . 0 0 "[ . 1]" 3
1479 1 57 ARG H 1 57 ARG HA 2.514 . 3.304 2.468 2.255 2.878 . 0 0 "[ . 1]" 3
1480 2 57 ARG H 2 57 ARG HA 2.514 . 3.304 2.468 2.256 2.878 . 0 0 "[ . 1]" 3
1481 1 80 ALA H 1 80 ALA MB 2.005 . 2.508 2.182 2.177 2.195 . 0 0 "[ . 1]" 3
1482 2 80 ALA H 2 80 ALA MB 2.005 . 2.508 2.182 2.176 2.196 . 0 0 "[ . 1]" 3
1483 1 70 ARG HA 1 71 PHE H 2.472 . 3.236 2.170 2.157 2.201 . 0 0 "[ . 1]" 3
1484 2 70 ARG HA 2 71 PHE H 2.472 . 3.236 2.170 2.158 2.201 . 0 0 "[ . 1]" 3
1485 1 5 LEU MD2 1 6 GLU H 3.145 . 4.381 4.056 3.883 4.205 . 0 0 "[ . 1]" 3
1486 2 5 LEU MD2 2 6 GLU H 3.145 . 4.381 4.056 3.882 4.205 . 0 0 "[ . 1]" 3
1487 1 77 ASP HB2 1 78 LEU H 3.255 . 4.579 3.252 3.176 3.562 . 0 0 "[ . 1]" 3
1488 2 77 ASP HB2 2 78 LEU H 3.255 . 4.579 3.251 3.176 3.561 . 0 0 "[ . 1]" 3
1489 1 74 PRO HB2 1 75 SER H 3.201 . 4.482 4.044 4.008 4.086 . 0 0 "[ . 1]" 3
1490 2 74 PRO HB2 2 75 SER H 3.201 . 4.482 4.043 4.008 4.088 . 0 0 "[ . 1]" 3
1491 1 16 ASN HA 1 75 SER H 2.433 . 3.173 1.713 1.649 1.855 0.044 9 0 "[ . 1]" 3
1492 2 16 ASN HA 2 75 SER H 2.433 . 3.173 1.713 1.651 1.852 0.042 9 0 "[ . 1]" 3
1493 1 43 PHE H 1 43 PHE HD2 2.687 . 3.590 3.018 2.894 3.094 . 0 0 "[ . 1]" 3
1494 2 43 PHE H 2 43 PHE HD2 2.687 . 3.590 3.018 2.893 3.095 . 0 0 "[ . 1]" 3
1495 1 21 LEU H 1 70 ARG H 3.791 . 5.588 5.007 4.919 5.157 . 0 0 "[ . 1]" 3
1496 2 21 LEU H 2 70 ARG H 3.791 . 5.588 5.008 4.916 5.156 . 0 0 "[ . 1]" 3
1497 1 21 LEU H 1 71 PHE H 4.029 . 6.059 5.303 5.100 5.475 . 0 0 "[ . 1]" 3
1498 2 21 LEU H 2 71 PHE H 4.029 . 6.059 5.305 5.098 5.473 . 0 0 "[ . 1]" 3
1499 1 20 ASN HD21 1 95 ALA H 4.197 . 6.399 3.397 1.926 4.573 0.069 10 0 "[ . 1]" 3
1500 2 20 ASN HD21 2 95 ALA H 4.197 . 6.399 3.396 1.925 4.572 0.070 10 0 "[ . 1]" 3
1501 1 34 SER HA 1 37 VAL H 4.226 . 6.459 3.413 3.224 3.852 . 0 0 "[ . 1]" 3
1502 2 34 SER HA 2 37 VAL H 4.226 . 6.459 3.411 3.225 3.853 . 0 0 "[ . 1]" 3
1503 1 86 ARG H 1 86 ARG HA 2.716 . 3.638 2.894 2.870 2.909 . 0 0 "[ . 1]" 3
1504 2 86 ARG H 2 86 ARG HA 2.716 . 3.638 2.894 2.871 2.909 . 0 0 "[ . 1]" 3
1505 1 43 PHE HE2 1 81 LEU H 3.209 . 4.496 3.787 3.736 3.855 . 0 0 "[ . 1]" 3
1506 2 43 PHE HE2 2 81 LEU H 3.209 . 4.496 3.787 3.734 3.854 . 0 0 "[ . 1]" 3
1507 1 40 PHE H 1 41 GLU H 3.342 . 4.738 2.723 2.659 2.763 . 0 0 "[ . 1]" 3
1508 2 40 PHE H 2 41 GLU H 3.342 . 4.738 2.723 2.658 2.761 . 0 0 "[ . 1]" 3
1509 1 48 HIS HD2 1 49 HIS H 3.813 . 5.630 5.657 5.480 5.757 0.127 2 0 "[ . 1]" 3
1510 2 48 HIS HD2 2 49 HIS H 3.813 . 5.630 5.657 5.480 5.759 0.129 2 0 "[ . 1]" 3
1511 1 23 PHE H 1 69 VAL H 4.021 . 6.042 6.013 5.883 6.124 0.082 5 0 "[ . 1]" 3
1512 2 23 PHE H 2 69 VAL H 4.021 . 6.042 6.013 5.879 6.123 0.081 5 0 "[ . 1]" 3
1513 1 69 VAL H 1 70 ARG H 3.413 . 4.869 4.350 4.311 4.373 . 0 0 "[ . 1]" 3
1514 2 69 VAL H 2 70 ARG H 3.413 . 4.869 4.350 4.312 4.375 . 0 0 "[ . 1]" 3
1515 1 13 ARG H 1 15 GLY H 3.313 . 4.685 3.632 2.821 3.936 . 0 0 "[ . 1]" 3
1516 2 13 ARG H 2 15 GLY H 3.313 . 4.685 3.632 2.821 3.936 . 0 0 "[ . 1]" 3
1517 1 38 LYS H 1 39 VAL H 3.853 . 5.709 2.516 2.460 2.606 . 0 0 "[ . 1]" 3
1518 2 38 LYS H 2 39 VAL H 3.853 . 5.709 2.516 2.461 2.606 . 0 0 "[ . 1]" 3
1519 1 22 LEU HA 1 69 VAL H 2.997 . 4.120 3.965 3.887 4.066 . 0 0 "[ . 1]" 3
1520 2 22 LEU HA 2 69 VAL H 2.997 . 4.120 3.966 3.890 4.066 . 0 0 "[ . 1]" 3
1521 1 51 GLU QG 1 68 PHE H 4.082 . 6.165 3.094 2.443 3.843 . 0 0 "[ . 1]" 3
1522 2 51 GLU QG 2 68 PHE H 4.082 . 6.165 3.094 2.445 3.841 . 0 0 "[ . 1]" 3
1523 1 10 PHE QE 1 11 GLU H 3.668 . 5.349 4.819 3.159 5.097 . 0 0 "[ . 1]" 3
1524 2 10 PHE QE 2 11 GLU H 3.668 . 5.349 4.820 3.160 5.096 . 0 0 "[ . 1]" 3
1525 1 82 LEU HA 1 83 SER H 3.387 . 4.821 3.501 3.486 3.523 . 0 0 "[ . 1]" 3
1526 2 82 LEU HA 2 83 SER H 3.387 . 4.821 3.502 3.486 3.523 . 0 0 "[ . 1]" 3
1527 1 83 SER H 1 84 SER HA 3.736 . 5.480 5.204 5.134 5.230 . 0 0 "[ . 1]" 3
1528 2 83 SER H 2 84 SER HA 3.736 . 5.480 5.204 5.134 5.230 . 0 0 "[ . 1]" 3
1529 1 83 SER H 1 84 SER H 2.314 . 2.984 2.526 2.447 2.556 . 0 0 "[ . 1]" 3
1530 2 83 SER H 2 84 SER H 2.314 . 2.984 2.526 2.447 2.556 . 0 0 "[ . 1]" 3
1531 1 83 SER H 1 85 VAL H 3.549 . 5.123 3.983 3.935 4.061 . 0 0 "[ . 1]" 3
1532 2 83 SER H 2 85 VAL H 3.549 . 5.123 3.983 3.936 4.063 . 0 0 "[ . 1]" 3
1533 1 47 ILE MG 1 50 LEU H 3.719 . 5.447 2.947 2.767 3.073 . 0 0 "[ . 1]" 3
1534 2 47 ILE MG 2 50 LEU H 3.719 . 5.447 2.948 2.767 3.072 . 0 0 "[ . 1]" 3
1535 1 46 LYS H 1 47 ILE HA 3.667 . 5.348 4.818 4.730 4.932 . 0 0 "[ . 1]" 3
1536 2 46 LYS H 2 47 ILE HA 3.667 . 5.348 4.817 4.730 4.933 . 0 0 "[ . 1]" 3
1537 1 46 LYS H 1 72 GLU HB2 3.547 . 5.119 5.011 4.887 5.100 . 0 0 "[ . 1]" 3
1538 2 46 LYS H 2 72 GLU HB2 3.547 . 5.119 5.011 4.885 5.099 . 0 0 "[ . 1]" 3
1539 1 46 LYS H 1 72 GLU HB3 3.511 . 5.052 4.434 4.316 4.509 . 0 0 "[ . 1]" 3
1540 2 46 LYS H 2 72 GLU HB3 3.511 . 5.052 4.434 4.315 4.509 . 0 0 "[ . 1]" 3
1541 1 46 LYS H 1 46 LYS QD 3.383 . 4.813 3.504 3.260 4.108 . 0 0 "[ . 1]" 3
1542 2 46 LYS H 2 46 LYS QD 3.383 . 4.813 3.505 3.261 4.109 . 0 0 "[ . 1]" 3
1543 1 49 HIS H 1 69 VAL HA 4.037 . 6.074 4.775 4.603 4.988 . 0 0 "[ . 1]" 3
1544 2 49 HIS H 2 69 VAL HA 4.037 . 6.074 4.775 4.604 4.988 . 0 0 "[ . 1]" 3
1545 1 48 HIS QB 1 49 HIS H 2.681 . 3.580 2.531 2.357 2.923 . 0 0 "[ . 1]" 3
1546 2 48 HIS QB 2 49 HIS H 2.681 . 3.580 2.531 2.355 2.923 . 0 0 "[ . 1]" 3
1547 1 49 HIS HA 1 50 LEU H 3.331 . 4.718 2.183 2.143 2.228 . 0 0 "[ . 1]" 3
1548 2 49 HIS HA 2 50 LEU H 3.331 . 4.718 2.183 2.143 2.229 . 0 0 "[ . 1]" 3
1549 1 54 PRO HD2 1 55 ALA H 3.902 . 5.805 5.486 5.260 5.596 . 0 0 "[ . 1]" 3
1550 2 54 PRO HD2 2 55 ALA H 3.902 . 5.805 5.486 5.261 5.596 . 0 0 "[ . 1]" 3
1551 1 56 GLN H 1 57 ARG HG2 3.394 . 4.833 3.047 2.183 4.699 . 0 0 "[ . 1]" 3
1552 2 56 GLN H 2 57 ARG HG2 3.394 . 4.833 3.046 2.184 4.698 . 0 0 "[ . 1]" 3
1553 1 57 ARG H 1 60 ALA MB 3.225 . 4.525 3.881 2.755 5.900 1.375 10 1 "[ . +]" 3
1554 2 57 ARG H 2 60 ALA MB 3.225 . 4.525 3.881 2.753 5.900 1.375 10 1 "[ . +]" 3
1555 1 59 LEU H 1 60 ALA H 3.454 . 4.945 2.996 2.112 4.569 . 0 0 "[ . 1]" 3
1556 2 59 LEU H 2 60 ALA H 3.454 . 4.945 2.996 2.111 4.570 . 0 0 "[ . 1]" 3
1557 1 59 LEU H 1 59 LEU HA 2.706 . 3.621 2.914 2.868 2.947 . 0 0 "[ . 1]" 3
1558 2 59 LEU H 2 59 LEU HA 2.706 . 3.621 2.914 2.868 2.946 . 0 0 "[ . 1]" 3
1559 1 58 PRO HD2 1 59 LEU H 4.308 . 6.627 3.414 2.434 4.642 . 0 0 "[ . 1]" 3
1560 2 58 PRO HD2 2 59 LEU H 4.308 . 6.627 3.414 2.437 4.643 . 0 0 "[ . 1]" 3
1561 1 60 ALA H 1 61 GLY H 3.957 . 5.914 3.721 2.323 4.385 . 0 0 "[ . 1]" 3
1562 2 60 ALA H 2 61 GLY H 3.957 . 5.914 3.721 2.324 4.384 . 0 0 "[ . 1]" 3
1563 1 75 SER HA 1 76 GLY H 2.612 . 3.465 3.462 3.444 3.485 0.020 2 0 "[ . 1]" 3
1564 2 75 SER HA 2 76 GLY H 2.612 . 3.465 3.462 3.443 3.485 0.020 2 0 "[ . 1]" 3
1565 1 76 GLY H 1 76 GLY HA3 2.276 . 2.924 2.359 2.340 2.386 . 0 0 "[ . 1]" 3
1566 2 76 GLY H 2 76 GLY HA3 2.276 . 2.924 2.358 2.340 2.386 . 0 0 "[ . 1]" 3
1567 1 74 PRO HA 1 76 GLY H 4.056 . 6.113 3.726 3.684 3.772 . 0 0 "[ . 1]" 3
1568 2 74 PRO HA 2 76 GLY H 4.056 . 6.113 3.726 3.682 3.773 . 0 0 "[ . 1]" 3
1569 1 76 GLY H 1 77 ASP HA 3.866 . 5.734 5.040 4.862 5.131 . 0 0 "[ . 1]" 3
1570 2 76 GLY H 2 77 ASP HA 3.866 . 5.734 5.040 4.864 5.128 . 0 0 "[ . 1]" 3
1571 1 64 HIS HD2 1 65 LEU H 3.580 . 5.182 3.477 2.032 4.544 . 0 0 "[ . 1]" 3
1572 2 64 HIS HD2 2 65 LEU H 3.580 . 5.182 3.476 2.032 4.544 . 0 0 "[ . 1]" 3
1573 1 24 SER QB 1 66 GLU H 3.660 . 5.335 4.192 3.129 5.172 . 0 0 "[ . 1]" 3
1574 2 24 SER QB 2 66 GLU H 3.660 . 5.335 4.192 3.128 5.172 . 0 0 "[ . 1]" 3
1575 1 66 GLU QG 1 67 TYR H 3.624 . 5.265 3.744 2.560 4.393 . 0 0 "[ . 1]" 3
1576 2 66 GLU QG 2 67 TYR H 3.624 . 5.265 3.744 2.559 4.392 . 0 0 "[ . 1]" 3
1577 1 20 ASN HD22 1 95 ALA H 3.859 . 5.721 4.158 3.078 5.619 . 0 0 "[ . 1]" 3
1578 2 20 ASN HD22 2 95 ALA H 3.859 . 5.721 4.159 3.080 5.620 . 0 0 "[ . 1]" 3
1579 1 68 PHE HE1 1 95 ALA H 3.434 . 4.908 4.834 4.652 4.937 0.029 2 0 "[ . 1]" 3
1580 2 68 PHE HE1 2 95 ALA H 3.434 . 4.908 4.834 4.651 4.936 0.028 2 0 "[ . 1]" 3
1581 1 68 PHE QD 1 95 ALA H 3.577 . 5.176 5.221 5.100 5.300 0.124 4 0 "[ . 1]" 3
1582 2 68 PHE QD 2 95 ALA H 3.577 . 5.176 5.221 5.099 5.300 0.124 4 0 "[ . 1]" 3
1583 1 21 LEU HA 1 95 ALA H 2.831 . 3.833 2.985 2.578 3.220 . 0 0 "[ . 1]" 3
1584 2 21 LEU HA 2 95 ALA H 2.831 . 3.833 2.985 2.580 3.221 . 0 0 "[ . 1]" 3
1585 1 20 ASN H 1 20 ASN HD22 3.550 . 5.125 3.945 2.833 5.333 0.208 2 0 "[ . 1]" 3
1586 2 20 ASN H 2 20 ASN HD22 3.550 . 5.125 3.945 2.832 5.333 0.208 2 0 "[ . 1]" 3
1587 1 3 ASN QB 1 6 GLU H 3.396 . 4.547 2.858 2.394 3.218 . 0 0 "[ . 1]" 3
1588 2 3 ASN QB 2 6 GLU H 3.396 . 4.547 2.858 2.395 3.218 . 0 0 "[ . 1]" 3
1589 1 90 ASP HA 1 92 VAL H 3.282 . 4.628 4.270 3.758 4.853 0.225 5 0 "[ . 1]" 3
1590 2 90 ASP HA 2 92 VAL H 3.282 . 4.628 4.270 3.759 4.852 0.224 5 0 "[ . 1]" 3
1591 1 89 SER QB 1 92 VAL H 3.764 . 5.535 3.893 3.118 5.031 . 0 0 "[ . 1]" 3
1592 2 89 SER QB 2 92 VAL H 3.764 . 5.535 3.893 3.117 5.032 . 0 0 "[ . 1]" 3
1593 1 91 ASP H 1 91 ASP HB3 2.871 . 3.901 3.169 2.551 3.845 . 0 0 "[ . 1]" 3
1594 2 91 ASP H 2 91 ASP HB3 2.871 . 3.901 3.169 2.551 3.846 . 0 0 "[ . 1]" 3
1595 1 24 SER H 1 24 SER QB 3.574 . 5.027 2.905 2.590 3.352 . 0 0 "[ . 1]" 3
1596 2 24 SER H 2 24 SER QB 3.574 . 5.027 2.905 2.589 3.352 . 0 0 "[ . 1]" 3
1597 1 23 PHE HB3 1 24 SER H 2.973 . 4.078 4.143 3.686 4.587 0.509 9 1 "[ . +1]" 3
1598 2 23 PHE HB3 2 24 SER H 2.973 . 4.078 4.143 3.688 4.584 0.506 9 1 "[ . +1]" 3
1599 1 33 LEU H 1 34 SER H 3.647 . 5.310 2.336 2.036 2.522 . 0 0 "[ . 1]" 3
1600 2 33 LEU H 2 34 SER H 3.647 . 5.310 2.354 2.088 2.524 . 0 0 "[ . 1]" 3
1601 1 35 ARG H 1 36 ALA H 2.932 . 4.007 2.620 2.280 2.833 . 0 0 "[ . 1]" 3
1602 2 35 ARG H 2 36 ALA H 2.932 . 4.007 2.622 2.283 2.837 . 0 0 "[ . 1]" 3
1603 1 35 ARG HA 1 36 ALA H 3.063 . 4.236 3.455 3.423 3.542 . 0 0 "[ . 1]" 3
1604 2 35 ARG HA 2 36 ALA H 3.063 . 4.236 3.455 3.423 3.540 . 0 0 "[ . 1]" 3
1605 1 35 ARG QG 1 36 ALA H 2.937 . 4.015 3.682 2.618 3.882 . 0 0 "[ . 1]" 3
1606 2 35 ARG QG 2 36 ALA H 2.937 . 4.015 3.682 2.619 3.885 . 0 0 "[ . 1]" 3
1607 1 36 ALA H 1 88 VAL MG1 2.988 . 4.104 3.305 2.851 3.589 . 0 0 "[ . 1]" 3
1608 2 36 ALA H 2 88 VAL MG1 2.988 . 4.104 3.305 2.849 3.591 . 0 0 "[ . 1]" 3
1609 1 48 HIS H 1 71 PHE HA 3.613 . 5.245 1.940 1.916 2.031 0.065 1 0 "[ . 1]" 3
1610 2 48 HIS H 2 71 PHE HA 3.613 . 5.245 1.940 1.917 2.033 0.064 1 0 "[ . 1]" 3
1611 1 48 HIS H 1 70 ARG QB 4.165 . 6.333 3.594 3.373 4.128 . 0 0 "[ . 1]" 3
1612 2 48 HIS H 2 70 ARG QB 4.165 . 6.333 3.594 3.374 4.128 . 0 0 "[ . 1]" 3
1613 1 76 GLY H 1 77 ASP HB2 3.374 . 4.797 4.576 3.949 4.767 . 0 0 "[ . 1]" 3
1614 2 76 GLY H 2 77 ASP HB2 3.374 . 4.797 4.577 3.950 4.765 . 0 0 "[ . 1]" 3
1615 1 48 HIS H 1 48 HIS HD1 3.521 . 5.070 2.895 2.333 3.796 . 0 0 "[ . 1]" 3
1616 2 48 HIS H 2 48 HIS HD1 3.521 . 5.070 2.896 2.332 3.799 . 0 0 "[ . 1]" 3
1617 1 51 GLU H 1 69 VAL MG2 2.733 . 3.666 2.657 2.330 3.141 . 0 0 "[ . 1]" 3
1618 2 51 GLU H 2 69 VAL MG2 2.733 . 3.666 2.656 2.330 3.141 . 0 0 "[ . 1]" 3
1619 1 52 THR H 1 68 PHE H 3.487 . 5.007 5.007 4.741 5.155 0.148 9 0 "[ . 1]" 3
1620 2 52 THR H 2 68 PHE H 3.487 . 5.007 5.007 4.743 5.149 0.142 9 0 "[ . 1]" 3
1621 1 51 GLU H 1 52 THR H 3.961 . 5.922 4.353 4.232 4.416 . 0 0 "[ . 1]" 3
1622 2 51 GLU H 2 52 THR H 3.961 . 5.922 4.353 4.233 4.415 . 0 0 "[ . 1]" 3
1623 1 52 THR H 1 67 TYR HA 5.039 . 8.213 5.133 4.757 5.489 . 0 0 "[ . 1]" 3
1624 2 52 THR H 2 67 TYR HA 5.039 . 8.213 5.133 4.757 5.490 . 0 0 "[ . 1]" 3
1625 1 25 LEU H 1 66 GLU HA 3.601 . 5.221 5.043 4.175 5.452 0.231 9 0 "[ . 1]" 3
1626 2 25 LEU H 2 66 GLU HA 3.601 . 5.221 5.042 4.175 5.452 0.231 9 0 "[ . 1]" 3
1627 1 25 LEU H 1 26 ARG H 3.605 . 5.229 4.356 4.233 4.487 . 0 0 "[ . 1]" 3
1628 2 25 LEU H 2 26 ARG H 3.605 . 5.229 4.356 4.234 4.486 . 0 0 "[ . 1]" 3
1629 1 24 SER H 1 25 LEU H 3.596 . 5.212 4.281 3.876 4.453 . 0 0 "[ . 1]" 3
1630 2 24 SER H 2 25 LEU H 3.596 . 5.212 4.281 3.874 4.454 . 0 0 "[ . 1]" 3
1631 1 24 SER H 1 90 ASP H 4.428 . 6.879 6.810 6.299 7.005 0.126 8 0 "[ . 1]" 3
1632 2 24 SER H 2 90 ASP H 4.428 . 6.879 6.810 6.300 7.007 0.128 8 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 1034
_Distance_constraint_stats_list.Viol_count 1092
_Distance_constraint_stats_list.Viol_total 1703.261
_Distance_constraint_stats_list.Viol_max 0.956
_Distance_constraint_stats_list.Viol_rms 0.0687
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0165
_Distance_constraint_stats_list.Viol_average_violations_only 0.1560
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASN 1.181 0.371 7 0 "[ . 1]"
1 4 PRO 1.369 0.102 1 0 "[ . 1]"
1 5 LEU 3.111 0.151 5 0 "[ . 1]"
1 6 GLU 8.548 0.802 6 2 "[ -.+ 1]"
1 7 ALA 5.825 0.802 6 5 "[* *.+ - *]"
1 8 VAL 2.233 0.653 10 3 "[* . - +]"
1 9 VAL 0.000 0.000 . 0 "[ . 1]"
1 10 PHE 0.527 0.193 6 0 "[ . 1]"
1 11 GLU 4.342 0.719 3 2 "[ + . - 1]"
1 12 GLU 2.017 0.369 3 0 "[ . 1]"
1 13 ARG 6.068 0.383 8 0 "[ . 1]"
1 14 ASP 0.000 0.000 . 0 "[ . 1]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 16 ASN 0.581 0.151 8 0 "[ . 1]"
1 17 ALA 0.858 0.780 2 1 "[ + . 1]"
1 18 VAL 0.374 0.323 2 0 "[ . 1]"
1 19 LEU 1.687 0.223 8 0 "[ . 1]"
1 20 ASN 0.677 0.258 2 0 "[ . 1]"
1 21 LEU 0.932 0.176 10 0 "[ . 1]"
1 22 LEU 1.216 0.179 8 0 "[ . 1]"
1 23 PHE 1.451 0.230 4 0 "[ . 1]"
1 24 SER 0.000 0.000 . 0 "[ . 1]"
1 25 LEU 0.000 0.000 . 0 "[ . 1]"
1 26 ARG 6.124 0.956 5 6 "[** -+* *1]"
1 27 GLY 1.835 0.956 5 2 "[ -+ 1]"
1 28 THR 0.000 0.000 . 0 "[ . 1]"
1 31 SER 0.055 0.055 2 0 "[ . 1]"
1 32 SER 0.000 0.000 . 0 "[ . 1]"
1 33 LEU 1.638 0.376 8 0 "[ . 1]"
1 34 SER 0.000 0.000 . 0 "[ . 1]"
1 35 ARG 1.854 0.395 9 0 "[ . 1]"
1 36 ALA 0.000 0.000 . 0 "[ . 1]"
1 37 VAL 0.316 0.154 8 0 "[ . 1]"
1 38 LYS 7.536 0.551 10 2 "[ . - +]"
1 39 VAL 9.705 0.551 10 2 "[ . - +]"
1 40 PHE 1.603 0.222 8 0 "[ . 1]"
1 42 THR 0.027 0.023 7 0 "[ . 1]"
1 43 PHE 0.721 0.125 7 0 "[ . 1]"
1 44 GLU 0.000 0.000 . 0 "[ . 1]"
1 45 ALA 0.000 0.000 . 0 "[ . 1]"
1 46 LYS 3.501 0.649 6 1 "[ .+ 1]"
1 47 ILE 4.277 0.229 2 0 "[ . 1]"
1 48 HIS 0.320 0.106 3 0 "[ . 1]"
1 49 HIS 0.000 0.000 . 0 "[ . 1]"
1 50 LEU 2.264 0.315 7 0 "[ . 1]"
1 51 GLU 0.000 0.000 . 0 "[ . 1]"
1 52 THR 0.000 0.000 . 0 "[ . 1]"
1 53 ARG 0.000 0.000 . 0 "[ . 1]"
1 54 PRO 3.083 0.289 4 0 "[ . 1]"
1 55 ALA 1.689 0.289 4 0 "[ . 1]"
1 56 GLN 1.755 0.295 9 0 "[ . 1]"
1 57 ARG 3.595 0.445 4 0 "[ . 1]"
1 58 PRO 4.495 0.466 10 0 "[ . 1]"
1 59 LEU 0.751 0.688 4 1 "[ +. 1]"
1 60 ALA 0.000 0.000 . 0 "[ . 1]"
1 62 SER 0.128 0.128 1 0 "[ . 1]"
1 63 PRO 1.068 0.280 1 0 "[ . 1]"
1 65 LEU 0.272 0.142 9 0 "[ . 1]"
1 66 GLU 0.423 0.116 10 0 "[ . 1]"
1 67 TYR 1.503 0.376 8 0 "[ . 1]"
1 68 PHE 0.278 0.179 8 0 "[ . 1]"
1 69 VAL 2.242 0.315 7 0 "[ . 1]"
1 70 ARG 0.320 0.106 3 0 "[ . 1]"
1 71 PHE 0.000 0.000 . 0 "[ . 1]"
1 72 GLU 0.391 0.104 4 0 "[ . 1]"
1 73 VAL 4.428 0.430 1 0 "[ . 1]"
1 74 PRO 4.428 0.430 1 0 "[ . 1]"
1 75 SER 0.780 0.780 2 1 "[ + . 1]"
1 76 GLY 0.000 0.000 . 0 "[ . 1]"
1 77 ASP 0.000 0.000 . 0 "[ . 1]"
1 78 LEU 1.113 0.223 8 0 "[ . 1]"
1 79 ALA 0.000 0.000 . 0 "[ . 1]"
1 80 ALA 0.000 0.000 . 0 "[ . 1]"
1 81 LEU 2.240 0.271 7 0 "[ . 1]"
1 82 LEU 0.033 0.021 10 0 "[ . 1]"
1 83 SER 0.826 0.098 9 0 "[ . 1]"
1 84 SER 2.454 0.189 7 0 "[ . 1]"
1 85 VAL 0.321 0.079 4 0 "[ . 1]"
1 86 ARG 0.000 0.000 . 0 "[ . 1]"
1 87 ARG 3.137 0.189 7 0 "[ . 1]"
1 88 VAL 0.000 0.000 . 0 "[ . 1]"
1 89 SER 0.634 0.188 8 0 "[ . 1]"
1 90 ASP 0.000 0.000 . 0 "[ . 1]"
1 91 ASP 0.000 0.000 . 0 "[ . 1]"
1 92 VAL 1.924 0.230 4 0 "[ . 1]"
1 93 ARG 0.277 0.242 9 0 "[ . 1]"
1 94 SER 0.001 0.001 8 0 "[ . 1]"
1 95 ALA 0.678 0.258 2 0 "[ . 1]"
2 3 ASN 1.184 0.370 7 0 "[ . 1]"
2 4 PRO 1.365 0.102 10 0 "[ . 1]"
2 5 LEU 3.121 0.152 5 0 "[ . 1]"
2 6 GLU 8.549 0.802 4 2 "[ +.- 1]"
2 7 ALA 5.826 0.802 4 5 "[* +.* - *]"
2 8 VAL 2.234 0.653 10 3 "[* . - +]"
2 9 VAL 0.000 0.000 . 0 "[ . 1]"
2 10 PHE 0.527 0.192 6 0 "[ . 1]"
2 11 GLU 4.332 0.718 3 2 "[ + . - 1]"
2 12 GLU 2.011 0.367 3 0 "[ . 1]"
2 13 ARG 6.062 0.383 8 0 "[ . 1]"
2 14 ASP 0.000 0.000 . 0 "[ . 1]"
2 15 GLY 0.000 0.000 . 0 "[ . 1]"
2 16 ASN 0.582 0.151 8 0 "[ . 1]"
2 17 ALA 0.856 0.778 2 1 "[ + . 1]"
2 18 VAL 0.374 0.323 2 0 "[ . 1]"
2 19 LEU 1.688 0.223 8 0 "[ . 1]"
2 20 ASN 0.681 0.259 2 0 "[ . 1]"
2 21 LEU 0.906 0.151 10 0 "[ . 1]"
2 22 LEU 1.204 0.179 8 0 "[ . 1]"
2 23 PHE 1.445 0.229 4 0 "[ . 1]"
2 24 SER 0.000 0.000 . 0 "[ . 1]"
2 25 LEU 0.000 0.000 . 0 "[ . 1]"
2 26 ARG 6.085 0.955 5 6 "[** -+* *1]"
2 27 GLY 1.808 0.955 5 2 "[ -+ 1]"
2 28 THR 0.000 0.000 . 0 "[ . 1]"
2 31 SER 0.059 0.059 2 0 "[ . 1]"
2 32 SER 0.000 0.000 . 0 "[ . 1]"
2 33 LEU 1.651 0.376 8 0 "[ . 1]"
2 34 SER 0.000 0.000 . 0 "[ . 1]"
2 35 ARG 1.850 0.394 9 0 "[ . 1]"
2 36 ALA 0.000 0.000 . 0 "[ . 1]"
2 37 VAL 0.319 0.154 8 0 "[ . 1]"
2 38 LYS 7.539 0.550 10 2 "[ . - +]"
2 39 VAL 9.720 0.550 10 2 "[ . - +]"
2 40 PHE 1.598 0.221 8 0 "[ . 1]"
2 42 THR 0.023 0.021 7 0 "[ . 1]"
2 43 PHE 0.718 0.126 7 0 "[ . 1]"
2 44 GLU 0.000 0.000 . 0 "[ . 1]"
2 45 ALA 0.000 0.000 . 0 "[ . 1]"
2 46 LYS 3.499 0.649 6 1 "[ .+ 1]"
2 47 ILE 4.276 0.229 2 0 "[ . 1]"
2 48 HIS 0.319 0.106 3 0 "[ . 1]"
2 49 HIS 0.000 0.000 . 0 "[ . 1]"
2 50 LEU 2.263 0.313 7 0 "[ . 1]"
2 51 GLU 0.000 0.000 . 0 "[ . 1]"
2 52 THR 0.000 0.000 . 0 "[ . 1]"
2 53 ARG 0.000 0.000 . 0 "[ . 1]"
2 54 PRO 3.089 0.289 4 0 "[ . 1]"
2 55 ALA 1.695 0.289 4 0 "[ . 1]"
2 56 GLN 1.757 0.294 9 0 "[ . 1]"
2 57 ARG 3.591 0.444 4 0 "[ . 1]"
2 58 PRO 4.492 0.466 10 0 "[ . 1]"
2 59 LEU 0.751 0.687 4 1 "[ +. 1]"
2 60 ALA 0.000 0.000 . 0 "[ . 1]"
2 62 SER 0.128 0.128 1 0 "[ . 1]"
2 63 PRO 1.069 0.280 1 0 "[ . 1]"
2 65 LEU 0.278 0.141 9 0 "[ . 1]"
2 66 GLU 0.429 0.116 10 0 "[ . 1]"
2 67 TYR 1.506 0.376 8 0 "[ . 1]"
2 68 PHE 0.291 0.179 8 0 "[ . 1]"
2 69 VAL 2.242 0.313 7 0 "[ . 1]"
2 70 ARG 0.319 0.106 3 0 "[ . 1]"
2 71 PHE 0.000 0.000 . 0 "[ . 1]"
2 72 GLU 0.389 0.104 4 0 "[ . 1]"
2 73 VAL 4.421 0.430 5 0 "[ . 1]"
2 74 PRO 4.421 0.430 5 0 "[ . 1]"
2 75 SER 0.778 0.778 2 1 "[ + . 1]"
2 76 GLY 0.000 0.000 . 0 "[ . 1]"
2 77 ASP 0.000 0.000 . 0 "[ . 1]"
2 78 LEU 1.114 0.223 8 0 "[ . 1]"
2 79 ALA 0.000 0.000 . 0 "[ . 1]"
2 80 ALA 0.000 0.000 . 0 "[ . 1]"
2 81 LEU 2.244 0.270 7 0 "[ . 1]"
2 82 LEU 0.033 0.021 10 0 "[ . 1]"
2 83 SER 0.823 0.098 9 0 "[ . 1]"
2 84 SER 2.452 0.191 7 0 "[ . 1]"
2 85 VAL 0.322 0.079 4 0 "[ . 1]"
2 86 ARG 0.000 0.000 . 0 "[ . 1]"
2 87 ARG 3.149 0.191 7 0 "[ . 1]"
2 88 VAL 0.000 0.000 . 0 "[ . 1]"
2 89 SER 0.632 0.189 8 0 "[ . 1]"
2 90 ASP 0.000 0.000 . 0 "[ . 1]"
2 91 ASP 0.000 0.000 . 0 "[ . 1]"
2 92 VAL 1.917 0.229 4 0 "[ . 1]"
2 93 ARG 0.275 0.242 9 0 "[ . 1]"
2 94 SER 0.000 0.000 . 0 "[ . 1]"
2 95 ALA 0.681 0.259 2 0 "[ . 1]"
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 31 SER HA 1 31 SER HB3 2.948 . 4.034 2.508 2.403 3.029 . 0 0 "[ . 1]" 4
2 2 31 SER HA 2 31 SER HB3 2.948 . 4.034 2.507 2.400 3.029 . 0 0 "[ . 1]" 4
3 1 63 PRO HA 1 63 PRO HD2 3.068 . 4.245 3.918 3.856 3.937 . 0 0 "[ . 1]" 4
4 2 63 PRO HA 2 63 PRO HD2 3.068 . 4.245 3.918 3.857 3.937 . 0 0 "[ . 1]" 4
5 1 58 PRO HA 1 58 PRO HB3 2.094 . 2.642 2.291 2.253 2.344 . 0 0 "[ . 1]" 4
6 2 58 PRO HA 2 58 PRO HB3 2.094 . 2.642 2.291 2.252 2.346 . 0 0 "[ . 1]" 4
7 1 26 ARG HA 1 26 ARG HB2 2.935 . 4.012 2.508 2.390 2.617 . 0 0 "[ . 1]" 4
8 2 26 ARG HA 2 26 ARG HB2 2.935 . 4.012 2.509 2.391 2.617 . 0 0 "[ . 1]" 4
9 1 26 ARG HA 1 26 ARG HG3 2.813 . 3.802 3.167 2.432 4.225 0.423 4 0 "[ . 1]" 4
10 2 26 ARG HA 2 26 ARG HG3 2.813 . 3.802 3.166 2.433 4.224 0.422 4 0 "[ . 1]" 4
11 1 31 SER HA 1 33 LEU QD 3.494 . 5.020 3.769 2.998 4.390 . 0 0 "[ . 1]" 4
12 2 31 SER HA 2 33 LEU QD 3.494 . 5.020 3.770 2.999 4.390 . 0 0 "[ . 1]" 4
13 1 14 ASP HA 1 15 GLY H 2.765 . 3.721 3.082 2.986 3.163 . 0 0 "[ . 1]" 4
14 2 14 ASP HA 2 15 GLY H 2.765 . 3.721 3.082 2.987 3.162 . 0 0 "[ . 1]" 4
15 1 9 VAL H 1 9 VAL HA 2.678 . 3.574 2.889 2.775 2.937 . 0 0 "[ . 1]" 4
16 2 9 VAL H 2 9 VAL HA 2.678 . 3.574 2.889 2.776 2.936 . 0 0 "[ . 1]" 4
17 1 7 ALA H 1 7 ALA HA 2.286 . 2.939 2.863 2.795 2.919 . 0 0 "[ . 1]" 4
18 2 7 ALA H 2 7 ALA HA 2.286 . 2.939 2.863 2.796 2.920 . 0 0 "[ . 1]" 4
19 1 4 PRO HA 1 5 LEU H 2.632 . 3.498 3.542 3.516 3.564 0.066 9 0 "[ . 1]" 4
20 2 4 PRO HA 2 5 LEU H 2.632 . 3.498 3.542 3.516 3.565 0.067 9 0 "[ . 1]" 4
21 1 4 PRO HA 1 6 GLU H 3.813 . 5.630 4.225 3.651 4.979 . 0 0 "[ . 1]" 4
22 2 4 PRO HA 2 6 GLU H 3.813 . 5.630 4.225 3.652 4.979 . 0 0 "[ . 1]" 4
23 1 8 VAL H 1 8 VAL HA 2.916 . 3.979 2.823 2.265 2.940 . 0 0 "[ . 1]" 4
24 2 8 VAL H 2 8 VAL HA 2.916 . 3.979 2.823 2.265 2.940 . 0 0 "[ . 1]" 4
25 1 43 PHE HA 1 43 PHE HD2 2.792 . 3.767 3.836 3.816 3.892 0.125 7 0 "[ . 1]" 4
26 2 43 PHE HA 2 43 PHE HD2 2.792 . 3.767 3.836 3.818 3.893 0.126 7 0 "[ . 1]" 4
27 1 87 ARG H 1 87 ARG HA 2.734 . 3.668 2.883 2.868 2.896 . 0 0 "[ . 1]" 4
28 2 87 ARG H 2 87 ARG HA 2.734 . 3.668 2.882 2.868 2.895 . 0 0 "[ . 1]" 4
29 1 94 SER HA 1 95 ALA HA 3.243 . 4.558 4.338 4.279 4.379 . 0 0 "[ . 1]" 4
30 2 94 SER HA 2 95 ALA HA 3.243 . 4.558 4.338 4.278 4.379 . 0 0 "[ . 1]" 4
31 1 56 GLN H 1 56 GLN HA 2.459 . 3.215 2.806 2.294 2.909 . 0 0 "[ . 1]" 4
32 2 56 GLN H 2 56 GLN HA 2.459 . 3.215 2.807 2.295 2.909 . 0 0 "[ . 1]" 4
33 1 4 PRO HA 1 4 PRO QD 3.156 . 4.401 3.334 3.303 3.366 . 0 0 "[ . 1]" 4
34 2 4 PRO HA 2 4 PRO QD 3.156 . 4.401 3.335 3.303 3.366 . 0 0 "[ . 1]" 4
35 1 43 PHE HA 1 43 PHE HB3 2.865 . 3.891 2.631 2.605 2.647 . 0 0 "[ . 1]" 4
36 2 43 PHE HA 2 43 PHE HB3 2.865 . 3.891 2.631 2.605 2.647 . 0 0 "[ . 1]" 4
37 1 14 ASP HA 1 14 ASP QB 2.514 . 3.159 2.403 2.381 2.418 . 0 0 "[ . 1]" 4
38 2 14 ASP HA 2 14 ASP QB 2.514 . 3.159 2.403 2.381 2.418 . 0 0 "[ . 1]" 4
39 1 43 PHE HA 1 43 PHE HB2 2.944 . 4.028 2.991 2.985 2.994 . 0 0 "[ . 1]" 4
40 2 43 PHE HA 2 43 PHE HB2 2.944 . 4.028 2.991 2.986 2.995 . 0 0 "[ . 1]" 4
41 1 8 VAL HA 1 8 VAL HB 2.485 . 3.257 2.977 2.888 3.011 . 0 0 "[ . 1]" 4
42 2 8 VAL HA 2 8 VAL HB 2.485 . 3.257 2.977 2.888 3.010 . 0 0 "[ . 1]" 4
43 1 43 PHE HA 1 44 GLU QG 3.302 . 4.665 3.526 3.080 4.047 . 0 0 "[ . 1]" 4
44 2 43 PHE HA 2 44 GLU QG 3.302 . 4.665 3.526 3.076 4.045 . 0 0 "[ . 1]" 4
45 1 4 PRO HA 1 4 PRO HB2 2.067 . 2.601 2.694 2.685 2.703 0.102 1 0 "[ . 1]" 4
46 2 4 PRO HA 2 4 PRO HB2 2.067 . 2.601 2.694 2.686 2.703 0.102 10 0 "[ . 1]" 4
47 1 94 SER QB 1 95 ALA H 2.576 . 3.405 2.990 2.216 3.406 0.001 8 0 "[ . 1]" 4
48 2 94 SER QB 2 95 ALA H 2.576 . 3.405 2.989 2.215 3.405 . 0 0 "[ . 1]" 4
49 1 5 LEU HA 1 5 LEU HB2 2.211 . 2.822 2.962 2.951 2.973 0.151 5 0 "[ . 1]" 4
50 2 5 LEU HA 2 5 LEU HB2 2.211 . 2.822 2.962 2.952 2.974 0.152 5 0 "[ . 1]" 4
51 1 59 LEU HA 1 60 ALA MB 3.396 . 4.838 4.025 3.838 4.214 . 0 0 "[ . 1]" 4
52 2 59 LEU HA 2 60 ALA MB 3.396 . 4.838 4.025 3.838 4.213 . 0 0 "[ . 1]" 4
53 1 95 ALA HA 1 95 ALA MB 2.034 . 2.551 2.072 2.065 2.084 . 0 0 "[ . 1]" 4
54 2 95 ALA HA 2 95 ALA MB 2.034 . 2.551 2.072 2.064 2.085 . 0 0 "[ . 1]" 4
55 1 60 ALA HA 1 60 ALA MB 2.021 . 2.531 2.119 2.109 2.127 . 0 0 "[ . 1]" 4
56 2 60 ALA HA 2 60 ALA MB 2.021 . 2.531 2.118 2.108 2.127 . 0 0 "[ . 1]" 4
57 1 58 PRO HA 1 59 LEU MD1 3.252 . 4.574 3.719 3.427 4.491 . 0 0 "[ . 1]" 4
58 2 58 PRO HA 2 59 LEU MD1 3.252 . 4.574 3.718 3.426 4.491 . 0 0 "[ . 1]" 4
59 1 4 PRO HA 1 5 LEU MD1 3.698 . 5.407 4.843 4.347 5.050 . 0 0 "[ . 1]" 4
60 2 4 PRO HA 2 5 LEU MD1 3.698 . 5.407 4.843 4.347 5.050 . 0 0 "[ . 1]" 4
61 1 4 PRO HA 1 5 LEU MD2 3.877 . 5.756 4.055 3.720 4.256 . 0 0 "[ . 1]" 4
62 2 4 PRO HA 2 5 LEU MD2 3.877 . 5.756 4.055 3.720 4.258 . 0 0 "[ . 1]" 4
63 1 8 VAL HA 1 8 VAL QG 2.134 . 2.703 2.102 2.018 2.125 . 0 0 "[ . 1]" 4
64 2 8 VAL HA 2 8 VAL QG 2.134 . 2.703 2.102 2.019 2.126 . 0 0 "[ . 1]" 4
65 1 5 LEU HA 1 5 LEU MD2 2.305 . 2.969 2.912 2.878 3.011 0.042 7 0 "[ . 1]" 4
66 2 5 LEU HA 2 5 LEU MD2 2.305 . 2.969 2.913 2.880 3.011 0.042 7 0 "[ . 1]" 4
67 1 22 LEU QD 1 95 ALA HA 2.341 . 3.026 1.807 1.699 1.979 . 0 0 "[ . 1]" 4
68 2 22 LEU QD 2 95 ALA HA 2.341 . 3.026 1.807 1.700 1.982 . 0 0 "[ . 1]" 4
69 1 7 ALA HA 1 8 VAL QG 2.829 . 3.829 3.905 3.594 4.482 0.653 10 3 "[* . - +]" 4
70 2 7 ALA HA 2 8 VAL QG 2.829 . 3.829 3.905 3.595 4.482 0.653 10 3 "[* . - +]" 4
71 1 42 THR H 1 42 THR HB 3.144 . 4.380 2.430 2.384 2.508 . 0 0 "[ . 1]" 4
72 2 42 THR H 2 42 THR HB 3.144 . 4.380 2.431 2.385 2.509 . 0 0 "[ . 1]" 4
73 1 6 GLU HA 1 8 VAL H 3.363 . 4.777 4.180 3.560 4.819 0.042 9 0 "[ . 1]" 4
74 2 6 GLU HA 2 8 VAL H 3.363 . 4.777 4.179 3.560 4.819 0.042 9 0 "[ . 1]" 4
75 1 42 THR HB 1 43 PHE HD2 3.396 . 4.838 4.813 4.783 4.861 0.023 7 0 "[ . 1]" 4
76 2 42 THR HB 2 43 PHE HD2 3.396 . 4.838 4.813 4.785 4.859 0.021 7 0 "[ . 1]" 4
77 1 84 SER HA 1 87 ARG HG3 3.097 . 4.296 4.437 4.389 4.485 0.189 7 0 "[ . 1]" 4
78 2 84 SER HA 2 87 ARG HG3 3.097 . 4.296 4.437 4.390 4.487 0.191 7 0 "[ . 1]" 4
79 1 24 SER HA 1 24 SER QB 3.135 . 4.017 2.292 2.183 2.471 . 0 0 "[ . 1]" 4
80 2 24 SER HA 2 24 SER QB 3.135 . 4.017 2.292 2.181 2.472 . 0 0 "[ . 1]" 4
81 1 94 SER HA 1 94 SER QB 2.443 . 3.189 2.307 2.189 2.543 . 0 0 "[ . 1]" 4
82 2 94 SER HA 2 94 SER QB 2.443 . 3.189 2.307 2.189 2.542 . 0 0 "[ . 1]" 4
83 1 28 THR HA 1 28 THR HB 2.925 . 3.994 2.441 2.351 2.571 . 0 0 "[ . 1]" 4
84 2 28 THR HA 2 28 THR HB 2.925 . 3.994 2.441 2.351 2.570 . 0 0 "[ . 1]" 4
85 1 84 SER HA 1 84 SER QB 2.989 . 3.462 2.446 2.397 2.478 . 0 0 "[ . 1]" 4
86 2 84 SER HA 2 84 SER QB 2.989 . 3.462 2.446 2.395 2.479 . 0 0 "[ . 1]" 4
87 1 39 VAL HA 1 42 THR HB 3.354 . 4.761 3.233 2.914 3.615 . 0 0 "[ . 1]" 4
88 2 39 VAL HA 2 42 THR HB 3.354 . 4.761 3.233 2.915 3.615 . 0 0 "[ . 1]" 4
89 1 56 GLN HA 1 58 PRO HD2 4.225 . 6.456 3.815 3.176 4.586 . 0 0 "[ . 1]" 4
90 2 56 GLN HA 2 58 PRO HD2 4.225 . 6.456 3.815 3.175 4.586 . 0 0 "[ . 1]" 4
91 1 84 SER HA 1 87 ARG QD 3.574 . 5.170 3.234 2.901 3.598 . 0 0 "[ . 1]" 4
92 2 84 SER HA 2 87 ARG QD 3.574 . 5.170 3.233 2.901 3.598 . 0 0 "[ . 1]" 4
93 1 6 GLU HA 1 6 GLU QG 2.285 . 2.937 2.646 2.318 2.941 0.004 3 0 "[ . 1]" 4
94 2 6 GLU HA 2 6 GLU QG 2.285 . 2.937 2.645 2.319 2.942 0.005 3 0 "[ . 1]" 4
95 1 55 ALA HA 1 56 GLN HG2 3.688 . 5.388 3.450 2.919 4.582 . 0 0 "[ . 1]" 4
96 2 55 ALA HA 2 56 GLN HG2 3.688 . 5.388 3.450 2.918 4.584 . 0 0 "[ . 1]" 4
97 1 6 GLU HA 1 6 GLU HB3 2.088 . 2.633 2.961 2.840 3.007 0.374 1 0 "[ . 1]" 4
98 2 6 GLU HA 2 6 GLU HB3 2.088 . 2.633 2.961 2.840 3.007 0.374 1 0 "[ . 1]" 4
99 1 56 GLN HA 1 56 GLN HB2 2.160 . 2.743 2.708 2.457 3.004 0.261 1 0 "[ . 1]" 4
100 2 56 GLN HA 2 56 GLN HB2 2.160 . 2.743 2.709 2.456 3.004 0.261 1 0 "[ . 1]" 4
101 1 38 LYS HA 1 38 LYS HB2 2.621 . 3.480 3.018 3.000 3.025 . 0 0 "[ . 1]" 4
102 2 38 LYS HA 2 38 LYS HB2 2.621 . 3.480 3.018 3.000 3.026 . 0 0 "[ . 1]" 4
103 1 54 PRO HB2 1 55 ALA HA 3.233 . 4.539 4.560 4.029 4.828 0.289 4 0 "[ . 1]" 4
104 2 54 PRO HB2 2 55 ALA HA 3.233 . 4.539 4.559 4.028 4.828 0.289 4 0 "[ . 1]" 4
105 1 56 GLN HA 1 57 ARG HG2 3.439 . 4.917 4.236 3.494 4.950 0.033 1 0 "[ . 1]" 4
106 2 56 GLN HA 2 57 ARG HG2 3.439 . 4.917 4.235 3.494 4.949 0.032 1 0 "[ . 1]" 4
107 1 5 LEU MD1 1 6 GLU HA 4.028 . 6.056 5.673 5.464 5.989 . 0 0 "[ . 1]" 4
108 2 5 LEU MD1 2 6 GLU HA 4.028 . 6.056 5.673 5.464 5.987 . 0 0 "[ . 1]" 4
109 1 55 ALA MB 1 56 GLN HA 3.701 . 5.413 3.613 3.351 3.930 . 0 0 "[ . 1]" 4
110 2 55 ALA MB 2 56 GLN HA 3.701 . 5.413 3.613 3.350 3.930 . 0 0 "[ . 1]" 4
111 1 55 ALA HA 1 55 ALA MB 2.205 . 2.813 2.086 2.071 2.110 . 0 0 "[ . 1]" 4
112 2 55 ALA HA 2 55 ALA MB 2.205 . 2.813 2.086 2.072 2.110 . 0 0 "[ . 1]" 4
113 1 39 VAL MG1 1 84 SER HA 4.134 . 6.270 5.232 5.151 5.272 . 0 0 "[ . 1]" 4
114 2 39 VAL MG1 2 84 SER HA 4.134 . 6.270 5.233 5.150 5.273 . 0 0 "[ . 1]" 4
115 1 83 SER HA 1 86 ARG H 3.113 . 4.324 3.313 3.212 3.482 . 0 0 "[ . 1]" 4
116 2 83 SER HA 2 86 ARG H 3.113 . 4.324 3.312 3.212 3.482 . 0 0 "[ . 1]" 4
117 1 84 SER H 1 84 SER QB 3.233 . 4.540 2.223 2.180 2.362 . 0 0 "[ . 1]" 4
118 2 84 SER H 2 84 SER QB 3.233 . 4.540 2.223 2.179 2.364 . 0 0 "[ . 1]" 4
119 1 84 SER QB 1 87 ARG H 4.435 . 5.008 4.477 4.309 4.645 . 0 0 "[ . 1]" 4
120 2 84 SER QB 2 87 ARG H 4.435 . 5.008 4.477 4.310 4.646 . 0 0 "[ . 1]" 4
121 1 3 ASN QB 1 5 LEU H 3.509 . 5.048 3.805 3.375 4.532 . 0 0 "[ . 1]" 4
122 2 3 ASN QB 2 5 LEU H 3.509 . 5.048 3.805 3.374 4.533 . 0 0 "[ . 1]" 4
123 1 83 SER HB3 1 84 SER HA 3.477 . 4.988 4.060 4.035 4.100 . 0 0 "[ . 1]" 4
124 2 83 SER HB3 2 84 SER HA 3.477 . 4.988 4.060 4.037 4.102 . 0 0 "[ . 1]" 4
125 1 83 SER HA 1 83 SER HB3 2.703 . 3.616 3.007 2.999 3.012 . 0 0 "[ . 1]" 4
126 2 83 SER HA 2 83 SER HB3 2.703 . 3.616 3.007 2.999 3.012 . 0 0 "[ . 1]" 4
127 1 83 SER HA 1 86 ARG HB3 3.782 . 5.570 4.075 3.768 4.225 . 0 0 "[ . 1]" 4
128 2 83 SER HA 2 86 ARG HB3 3.782 . 5.570 4.075 3.768 4.224 . 0 0 "[ . 1]" 4
129 1 82 LEU HB3 1 83 SER HA 3.526 . 5.080 4.015 3.969 4.066 . 0 0 "[ . 1]" 4
130 2 82 LEU HB3 2 83 SER HA 3.526 . 5.080 4.015 3.969 4.065 . 0 0 "[ . 1]" 4
131 1 33 LEU HA 1 36 ALA MB 2.751 . 3.697 2.698 2.433 3.038 . 0 0 "[ . 1]" 4
132 2 33 LEU HA 2 36 ALA MB 2.751 . 3.697 2.696 2.430 3.034 . 0 0 "[ . 1]" 4
133 1 73 VAL MG1 1 74 PRO HD3 3.218 . 4.512 3.008 2.992 3.020 . 0 0 "[ . 1]" 4
134 2 73 VAL MG1 2 74 PRO HD3 3.218 . 4.512 3.008 2.998 3.020 . 0 0 "[ . 1]" 4
135 1 50 LEU MD1 1 52 THR HB 2.965 . 4.064 3.928 3.849 4.008 . 0 0 "[ . 1]" 4
136 2 50 LEU MD1 2 52 THR HB 2.965 . 4.064 3.929 3.850 4.009 . 0 0 "[ . 1]" 4
137 1 39 VAL MG1 1 84 SER QB 3.028 . 3.293 2.645 2.584 2.679 . 0 0 "[ . 1]" 4
138 2 39 VAL MG1 2 84 SER QB 3.028 . 3.293 2.646 2.584 2.679 . 0 0 "[ . 1]" 4
139 1 83 SER HB2 1 84 SER H 2.668 . 3.558 3.641 3.628 3.656 0.098 9 0 "[ . 1]" 4
140 2 83 SER HB2 2 84 SER H 2.668 . 3.558 3.640 3.629 3.656 0.098 9 0 "[ . 1]" 4
141 1 42 THR HA 1 43 PHE H 4.396 . 6.812 3.559 3.550 3.572 . 0 0 "[ . 1]" 4
142 2 42 THR HA 2 43 PHE H 4.396 . 6.812 3.559 3.550 3.571 . 0 0 "[ . 1]" 4
143 1 42 THR HA 1 42 THR HB 2.901 . 3.953 2.542 2.457 2.594 . 0 0 "[ . 1]" 4
144 2 42 THR HA 2 42 THR HB 2.901 . 3.953 2.542 2.457 2.594 . 0 0 "[ . 1]" 4
145 1 35 ARG HA 1 35 ARG QD 3.189 . 4.460 3.967 3.435 4.363 . 0 0 "[ . 1]" 4
146 2 35 ARG HA 2 35 ARG QD 3.189 . 4.460 3.968 3.435 4.363 . 0 0 "[ . 1]" 4
147 1 4 PRO HB3 1 4 PRO QD 2.767 . 2.842 2.754 2.735 2.773 . 0 0 "[ . 1]" 4
148 2 4 PRO HB3 2 4 PRO QD 2.767 . 2.842 2.754 2.734 2.774 . 0 0 "[ . 1]" 4
149 1 62 SER QB 1 63 PRO HG2 3.256 . 4.581 4.058 3.782 4.469 . 0 0 "[ . 1]" 4
150 2 62 SER QB 2 63 PRO HG2 3.256 . 4.581 4.059 3.783 4.470 . 0 0 "[ . 1]" 4
151 1 44 GLU HA 1 44 GLU QG 2.101 . 2.653 2.446 2.364 2.545 . 0 0 "[ . 1]" 4
152 2 44 GLU HA 2 44 GLU QG 2.101 . 2.653 2.446 2.362 2.546 . 0 0 "[ . 1]" 4
153 1 4 PRO QD 1 4 PRO HG2 2.227 . 2.847 2.235 2.224 2.245 . 0 0 "[ . 1]" 4
154 2 4 PRO QD 2 4 PRO HG2 2.227 . 2.847 2.235 2.225 2.244 . 0 0 "[ . 1]" 4
155 1 84 SER QB 1 85 VAL HB 2.893 . 3.939 3.961 3.936 4.018 0.079 4 0 "[ . 1]" 4
156 2 84 SER QB 2 85 VAL HB 2.893 . 3.939 3.960 3.935 4.018 0.079 4 0 "[ . 1]" 4
157 1 35 ARG HA 1 35 ARG QB 2.295 . 2.953 2.300 2.166 2.345 . 0 0 "[ . 1]" 4
158 2 35 ARG HA 2 35 ARG QB 2.295 . 2.953 2.300 2.166 2.346 . 0 0 "[ . 1]" 4
159 1 35 ARG HA 1 38 LYS HD2 2.779 . 3.745 3.408 2.028 3.796 0.051 4 0 "[ . 1]" 4
160 2 35 ARG HA 2 38 LYS HD2 2.779 . 3.745 3.407 2.027 3.797 0.052 4 0 "[ . 1]" 4
161 1 35 ARG HA 1 35 ARG QG 2.881 . 3.919 2.605 2.414 3.335 . 0 0 "[ . 1]" 4
162 2 35 ARG HA 2 35 ARG QG 2.881 . 3.919 2.606 2.414 3.336 . 0 0 "[ . 1]" 4
163 1 73 VAL MG1 1 74 PRO HD2 3.296 . 4.654 1.523 1.508 1.541 0.430 1 0 "[ . 1]" 4
164 2 73 VAL MG1 2 74 PRO HD2 3.296 . 4.654 1.522 1.508 1.540 0.430 5 0 "[ . 1]" 4
165 1 89 SER QB 1 92 VAL MG2 3.203 . 4.146 2.149 1.732 3.284 0.188 8 0 "[ . 1]" 4
166 2 89 SER QB 2 92 VAL MG2 3.203 . 4.146 2.149 1.731 3.285 0.189 8 0 "[ . 1]" 4
167 1 36 ALA HA 1 88 VAL MG2 2.489 . 3.263 3.011 2.678 3.206 . 0 0 "[ . 1]" 4
168 2 36 ALA HA 2 88 VAL MG2 2.489 . 3.263 3.011 2.679 3.207 . 0 0 "[ . 1]" 4
169 1 4 PRO QD 1 5 LEU MD1 4.733 . 7.533 5.287 5.222 5.427 . 0 0 "[ . 1]" 4
170 2 4 PRO QD 2 5 LEU MD1 4.733 . 7.533 5.286 5.222 5.426 . 0 0 "[ . 1]" 4
171 1 75 SER H 1 75 SER HB2 3.290 . 4.643 3.197 2.486 3.603 . 0 0 "[ . 1]" 4
172 2 75 SER H 2 75 SER HB2 3.290 . 4.643 3.197 2.485 3.603 . 0 0 "[ . 1]" 4
173 1 35 ARG HA 1 88 VAL MG1 4.301 . 6.613 4.608 4.006 5.332 . 0 0 "[ . 1]" 4
174 2 35 ARG HA 2 88 VAL MG1 4.301 . 6.613 4.608 4.006 5.331 . 0 0 "[ . 1]" 4
175 1 37 VAL HA 1 40 PHE HD2 3.066 . 4.241 2.529 2.375 2.740 . 0 0 "[ . 1]" 4
176 2 37 VAL HA 2 40 PHE HD2 3.066 . 4.241 2.529 2.377 2.738 . 0 0 "[ . 1]" 4
177 1 62 SER HA 1 63 PRO HD3 2.645 . 3.520 2.447 2.076 3.648 0.128 1 0 "[ . 1]" 4
178 2 62 SER HA 2 63 PRO HD3 2.645 . 3.520 2.448 2.076 3.648 0.128 1 0 "[ . 1]" 4
179 1 63 PRO HA 1 63 PRO HD3 2.742 . 3.682 3.584 3.350 3.962 0.280 1 0 "[ . 1]" 4
180 2 63 PRO HA 2 63 PRO HD3 2.742 . 3.682 3.584 3.349 3.962 0.280 1 0 "[ . 1]" 4
181 1 63 PRO HB3 1 63 PRO HD3 3.807 . 5.618 4.009 3.881 4.050 . 0 0 "[ . 1]" 4
182 2 63 PRO HB3 2 63 PRO HD3 3.807 . 5.618 4.009 3.879 4.051 . 0 0 "[ . 1]" 4
183 1 63 PRO HD3 1 63 PRO HG2 2.106 . 2.660 2.724 2.687 2.778 0.118 6 0 "[ . 1]" 4
184 2 63 PRO HD3 2 63 PRO HG2 2.106 . 2.660 2.724 2.687 2.778 0.118 6 0 "[ . 1]" 4
185 1 82 LEU HA 1 85 VAL HB 2.741 . 3.680 1.984 1.856 2.125 . 0 0 "[ . 1]" 4
186 2 82 LEU HA 2 85 VAL HB 2.741 . 3.680 1.984 1.857 2.123 . 0 0 "[ . 1]" 4
187 1 79 ALA HA 1 82 LEU HB3 3.134 . 4.362 3.504 3.433 3.608 . 0 0 "[ . 1]" 4
188 2 79 ALA HA 2 82 LEU HB3 3.134 . 4.362 3.504 3.431 3.609 . 0 0 "[ . 1]" 4
189 1 40 PHE HA 1 81 LEU HB2 3.066 . 4.241 3.763 3.687 3.827 . 0 0 "[ . 1]" 4
190 2 40 PHE HA 2 81 LEU HB2 3.066 . 4.241 3.763 3.687 3.828 . 0 0 "[ . 1]" 4
191 1 17 ALA MB 1 75 SER HB2 2.926 . 3.996 3.844 3.432 4.776 0.780 2 1 "[ + . 1]" 4
192 2 17 ALA MB 2 75 SER HB2 2.926 . 3.996 3.843 3.432 4.774 0.778 2 1 "[ + . 1]" 4
193 1 34 SER HB3 1 37 VAL QG 3.394 . 4.834 3.963 3.633 4.147 . 0 0 "[ . 1]" 4
194 2 34 SER HB3 2 37 VAL QG 3.394 . 4.834 3.965 3.633 4.148 . 0 0 "[ . 1]" 4
195 1 73 VAL MG2 1 78 LEU HA 2.857 . 3.878 2.987 2.927 3.055 . 0 0 "[ . 1]" 4
196 2 73 VAL MG2 2 78 LEU HA 2.857 . 3.878 2.987 2.927 3.054 . 0 0 "[ . 1]" 4
197 1 79 ALA HA 1 82 LEU MD2 2.454 . 3.207 2.680 2.585 2.820 . 0 0 "[ . 1]" 4
198 2 79 ALA HA 2 82 LEU MD2 2.454 . 3.207 2.680 2.584 2.820 . 0 0 "[ . 1]" 4
199 1 82 LEU HA 1 85 VAL MG1 3.584 . 5.190 3.166 2.950 3.305 . 0 0 "[ . 1]" 4
200 2 82 LEU HA 2 85 VAL MG1 3.584 . 5.190 3.165 2.950 3.302 . 0 0 "[ . 1]" 4
201 1 78 LEU HA 1 81 LEU MD2 4.081 . 6.163 3.695 3.658 3.733 . 0 0 "[ . 1]" 4
202 2 78 LEU HA 2 81 LEU MD2 4.081 . 6.163 3.695 3.658 3.733 . 0 0 "[ . 1]" 4
203 1 82 LEU HA 1 85 VAL MG2 2.894 . 3.941 3.174 3.109 3.280 . 0 0 "[ . 1]" 4
204 2 82 LEU HA 2 85 VAL MG2 2.894 . 3.941 3.174 3.109 3.278 . 0 0 "[ . 1]" 4
205 1 34 SER HA 1 34 SER HB3 2.678 . 3.574 2.508 2.262 2.594 . 0 0 "[ . 1]" 4
206 2 34 SER HA 2 34 SER HB3 2.678 . 3.574 2.509 2.262 2.594 . 0 0 "[ . 1]" 4
207 1 38 LYS HB2 1 39 VAL HA 3.213 . 4.503 4.186 3.948 4.482 . 0 0 "[ . 1]" 4
208 2 38 LYS HB2 2 39 VAL HA 3.213 . 4.503 4.185 3.949 4.483 . 0 0 "[ . 1]" 4
209 1 57 ARG HB2 1 58 PRO HD2 2.294 . 2.952 2.600 2.182 2.824 . 0 0 "[ . 1]" 4
210 2 57 ARG HB2 2 58 PRO HD2 2.294 . 2.952 2.599 2.181 2.822 . 0 0 "[ . 1]" 4
211 1 39 VAL HA 1 42 THR MG 3.135 . 4.364 2.530 2.047 2.737 . 0 0 "[ . 1]" 4
212 2 39 VAL HA 2 42 THR MG 3.135 . 4.364 2.530 2.047 2.739 . 0 0 "[ . 1]" 4
213 1 55 ALA MB 1 58 PRO HD2 3.464 . 4.964 3.857 2.892 4.795 . 0 0 "[ . 1]" 4
214 2 55 ALA MB 2 58 PRO HD2 3.464 . 4.964 3.857 2.891 4.796 . 0 0 "[ . 1]" 4
215 1 39 VAL HA 1 39 VAL MG1 2.627 . 3.348 2.664 2.649 2.675 . 0 0 "[ . 1]" 4
216 2 39 VAL HA 2 39 VAL MG1 2.627 . 3.348 2.663 2.649 2.675 . 0 0 "[ . 1]" 4
217 1 85 VAL HA 1 88 VAL MG2 2.522 . 3.317 2.130 2.028 2.280 . 0 0 "[ . 1]" 4
218 2 85 VAL HA 2 88 VAL MG2 2.522 . 3.317 2.130 2.027 2.282 . 0 0 "[ . 1]" 4
219 1 39 VAL MG1 1 85 VAL HA 3.379 . 4.009 3.956 3.734 4.040 0.031 3 0 "[ . 1]" 4
220 2 39 VAL MG1 2 85 VAL HA 3.379 . 4.009 3.956 3.735 4.042 0.033 1 0 "[ . 1]" 4
221 1 85 VAL HA 1 85 VAL MG1 2.777 . 3.741 2.831 2.795 2.908 . 0 0 "[ . 1]" 4
222 2 85 VAL HA 2 85 VAL MG1 2.777 . 3.741 2.831 2.796 2.907 . 0 0 "[ . 1]" 4
223 1 87 ARG H 1 87 ARG QD 2.654 . 3.534 2.699 2.604 2.775 . 0 0 "[ . 1]" 4
224 2 87 ARG H 2 87 ARG QD 2.654 . 3.534 2.698 2.605 2.776 . 0 0 "[ . 1]" 4
225 1 93 ARG HA 1 93 ARG HD2 3.760 . 5.527 5.009 4.613 5.519 . 0 0 "[ . 1]" 4
226 2 93 ARG HA 2 93 ARG HD2 3.760 . 5.527 5.008 4.610 5.518 . 0 0 "[ . 1]" 4
227 1 93 ARG HB3 1 93 ARG HD2 2.824 . 3.821 3.372 3.088 3.836 0.015 2 0 "[ . 1]" 4
228 2 93 ARG HB3 2 93 ARG HD2 2.824 . 3.821 3.371 3.088 3.836 0.015 2 0 "[ . 1]" 4
229 1 93 ARG HD2 1 93 ARG HG3 2.847 . 3.860 2.484 2.377 2.949 . 0 0 "[ . 1]" 4
230 2 93 ARG HD2 2 93 ARG HG3 2.847 . 3.860 2.484 2.378 2.949 . 0 0 "[ . 1]" 4
231 1 87 ARG HB2 1 87 ARG QD 1.869 . 2.306 2.398 2.359 2.436 0.130 2 0 "[ . 1]" 4
232 2 87 ARG HB2 2 87 ARG QD 1.869 . 2.306 2.398 2.360 2.436 0.130 2 0 "[ . 1]" 4
233 1 86 ARG HD3 1 86 ARG QG 2.058 . 2.587 2.329 2.174 2.372 . 0 0 "[ . 1]" 4
234 2 86 ARG HD3 2 86 ARG QG 2.058 . 2.587 2.329 2.175 2.371 . 0 0 "[ . 1]" 4
235 1 93 ARG HD2 1 93 ARG HG2 2.871 . 3.901 2.749 2.247 3.005 . 0 0 "[ . 1]" 4
236 2 93 ARG HD2 2 93 ARG HG2 2.871 . 3.901 2.749 2.247 3.005 . 0 0 "[ . 1]" 4
237 1 26 ARG HD3 1 26 ARG HG3 1.844 . 2.269 2.651 2.362 3.006 0.737 6 4 "[*- .+ *1]" 4
238 2 26 ARG HD3 2 26 ARG HG3 1.844 . 2.269 2.650 2.361 3.005 0.736 9 4 "[*- .* +1]" 4
239 1 22 LEU QD 1 93 ARG HD2 4.388 . 6.795 3.906 3.417 4.449 . 0 0 "[ . 1]" 4
240 2 22 LEU QD 2 93 ARG HD2 4.388 . 6.795 3.906 3.418 4.447 . 0 0 "[ . 1]" 4
241 1 13 ARG HD3 1 18 VAL MG2 2.560 . 3.379 2.690 2.488 2.763 . 0 0 "[ . 1]" 4
242 2 13 ARG HD3 2 18 VAL MG2 2.560 . 3.379 2.689 2.486 2.762 . 0 0 "[ . 1]" 4
243 1 13 ARG H 1 13 ARG HD3 4.031 . 6.062 4.595 4.418 5.138 . 0 0 "[ . 1]" 4
244 2 13 ARG H 2 13 ARG HD3 4.031 . 6.062 4.594 4.418 5.139 . 0 0 "[ . 1]" 4
245 1 13 ARG HD3 1 16 ASN H 3.623 . 5.264 5.322 5.284 5.415 0.151 8 0 "[ . 1]" 4
246 2 13 ARG HD3 2 16 ASN H 3.623 . 5.264 5.322 5.284 5.415 0.151 8 0 "[ . 1]" 4
247 1 93 ARG HB2 1 93 ARG HD3 2.385 . 3.096 2.795 2.393 3.338 0.242 9 0 "[ . 1]" 4
248 2 93 ARG HB2 2 93 ARG HD3 2.385 . 3.096 2.794 2.390 3.338 0.242 9 0 "[ . 1]" 4
249 1 43 PHE HE2 1 81 LEU HA 4.012 . 6.024 2.998 2.769 3.093 . 0 0 "[ . 1]" 4
250 2 43 PHE HE2 2 81 LEU HA 4.012 . 6.024 2.998 2.770 3.092 . 0 0 "[ . 1]" 4
251 1 10 PHE QB 1 10 PHE QD 3.870 . 5.742 2.080 2.063 2.120 . 0 0 "[ . 1]" 4
252 2 10 PHE QB 2 10 PHE QD 3.870 . 5.742 2.080 2.063 2.120 . 0 0 "[ . 1]" 4
253 1 3 ASN HA 1 3 ASN QB 2.602 . 3.234 2.318 2.171 2.402 . 0 0 "[ . 1]" 4
254 2 3 ASN HA 2 3 ASN QB 2.602 . 3.234 2.317 2.171 2.401 . 0 0 "[ . 1]" 4
255 1 38 LYS HA 1 38 LYS QE 3.322 . 4.702 2.430 1.691 3.981 0.251 4 0 "[ . 1]" 4
256 2 38 LYS HA 2 38 LYS QE 3.322 . 4.702 2.430 1.691 3.983 0.251 4 0 "[ . 1]" 4
257 1 35 ARG HA 1 38 LYS QE 3.120 . 4.337 4.075 2.692 4.295 . 0 0 "[ . 1]" 4
258 2 35 ARG HA 2 38 LYS QE 3.120 . 4.337 4.076 2.689 4.293 . 0 0 "[ . 1]" 4
259 1 3 ASN QB 1 4 PRO QD 3.178 . 4.331 3.216 2.821 3.675 . 0 0 "[ . 1]" 4
260 2 3 ASN QB 2 4 PRO QD 3.178 . 4.331 3.215 2.817 3.676 . 0 0 "[ . 1]" 4
261 1 3 ASN QB 1 6 GLU HB3 2.650 . 3.528 2.802 1.706 3.899 0.371 7 0 "[ . 1]" 4
262 2 3 ASN QB 2 6 GLU HB3 2.650 . 3.528 2.802 1.704 3.898 0.370 7 0 "[ . 1]" 4
263 1 37 VAL HB 1 38 LYS QE 2.721 . 3.647 3.630 3.512 3.801 0.154 8 0 "[ . 1]" 4
264 2 37 VAL HB 2 38 LYS QE 2.721 . 3.647 3.632 3.518 3.801 0.154 8 0 "[ . 1]" 4
265 1 38 LYS HD2 1 38 LYS QE 2.259 . 2.897 2.184 2.114 2.424 . 0 0 "[ . 1]" 4
266 2 38 LYS HD2 2 38 LYS QE 2.259 . 2.897 2.184 2.114 2.424 . 0 0 "[ . 1]" 4
267 1 38 LYS QE 1 38 LYS QG 2.117 . 2.677 2.094 1.984 2.213 . 0 0 "[ . 1]" 4
268 2 38 LYS QE 2 38 LYS QG 2.117 . 2.677 2.094 1.984 2.214 . 0 0 "[ . 1]" 4
269 1 39 VAL MG2 1 81 LEU HA 2.995 . 4.116 3.901 3.891 3.917 . 0 0 "[ . 1]" 4
270 2 39 VAL MG2 2 81 LEU HA 2.995 . 4.116 3.900 3.891 3.918 . 0 0 "[ . 1]" 4
271 1 39 VAL MG1 1 81 LEU HA 3.121 . 4.245 3.189 3.132 3.227 . 0 0 "[ . 1]" 4
272 2 39 VAL MG1 2 81 LEU HA 3.121 . 4.245 3.189 3.132 3.228 . 0 0 "[ . 1]" 4
273 1 81 LEU HA 1 81 LEU MD1 2.906 . 3.961 3.570 3.553 3.590 . 0 0 "[ . 1]" 4
274 2 81 LEU HA 2 81 LEU MD1 2.906 . 3.961 3.570 3.552 3.589 . 0 0 "[ . 1]" 4
275 1 91 ASP HA 1 91 ASP HB2 2.905 . 3.960 2.708 2.461 3.023 . 0 0 "[ . 1]" 4
276 2 91 ASP HA 2 91 ASP HB2 2.905 . 3.960 2.708 2.462 3.022 . 0 0 "[ . 1]" 4
277 1 90 ASP HA 1 90 ASP HB3 2.778 . 3.743 2.897 2.477 3.026 . 0 0 "[ . 1]" 4
278 2 90 ASP HA 2 90 ASP HB3 2.778 . 3.743 2.897 2.477 3.025 . 0 0 "[ . 1]" 4
279 1 56 GLN H 1 56 GLN HG3 2.984 . 4.097 2.823 2.038 4.122 0.025 1 0 "[ . 1]" 4
280 2 56 GLN H 2 56 GLN HG3 2.984 . 4.097 2.823 2.039 4.122 0.025 1 0 "[ . 1]" 4
281 1 53 ARG HA 1 53 ARG HG3 4.420 . 6.862 3.390 2.349 3.781 . 0 0 "[ . 1]" 4
282 2 53 ARG HA 2 53 ARG HG3 4.420 . 6.862 3.390 2.348 3.782 . 0 0 "[ . 1]" 4
283 1 18 VAL MG2 1 72 GLU QG 3.520 . 5.069 3.396 3.275 3.461 . 0 0 "[ . 1]" 4
284 2 18 VAL MG2 2 72 GLU QG 3.520 . 5.069 3.397 3.274 3.461 . 0 0 "[ . 1]" 4
285 1 11 GLU HG3 1 12 GLU H 2.516 . 3.307 3.130 1.411 3.676 0.369 3 0 "[ . 1]" 4
286 2 11 GLU HG3 2 12 GLU H 2.516 . 3.307 3.129 1.411 3.674 0.367 3 0 "[ . 1]" 4
287 1 11 GLU H 1 11 GLU HG3 2.742 . 3.682 3.553 3.254 4.186 0.504 8 1 "[ . + 1]" 4
288 2 11 GLU H 2 11 GLU HG3 2.742 . 3.682 3.553 3.256 4.185 0.503 8 1 "[ . + 1]" 4
289 1 10 PHE QD 1 12 GLU QG 3.109 . 4.317 3.345 2.979 3.705 . 0 0 "[ . 1]" 4
290 2 10 PHE QD 2 12 GLU QG 3.109 . 4.317 3.345 2.978 3.705 . 0 0 "[ . 1]" 4
291 1 51 GLU H 1 51 GLU HB3 3.846 . 5.695 3.381 3.164 3.823 . 0 0 "[ . 1]" 4
292 2 51 GLU H 2 51 GLU HB3 3.846 . 5.695 3.382 3.167 3.824 . 0 0 "[ . 1]" 4
293 1 12 GLU QG 1 17 ALA HA 3.346 . 4.620 2.950 2.610 3.631 . 0 0 "[ . 1]" 4
294 2 12 GLU QG 2 17 ALA HA 3.346 . 4.620 2.950 2.611 3.630 . 0 0 "[ . 1]" 4
295 1 11 GLU HA 1 11 GLU HG3 2.601 . 3.447 3.579 3.221 4.166 0.719 3 1 "[ + . 1]" 4
296 2 11 GLU HA 2 11 GLU HG3 2.601 . 3.447 3.578 3.219 4.165 0.718 3 1 "[ + . 1]" 4
297 1 6 GLU QG 1 7 ALA HA 2.617 . 3.473 3.479 3.167 3.713 0.240 10 0 "[ . 1]" 4
298 2 6 GLU QG 2 7 ALA HA 2.617 . 3.473 3.479 3.167 3.714 0.241 10 0 "[ . 1]" 4
299 1 56 GLN HA 1 56 GLN HG2 2.625 . 3.486 3.348 2.702 3.781 0.295 9 0 "[ . 1]" 4
300 2 56 GLN HA 2 56 GLN HG2 2.625 . 3.486 3.348 2.702 3.780 0.294 9 0 "[ . 1]" 4
301 1 44 GLU HA 1 44 GLU HB2 2.935 . 4.012 3.007 3.000 3.013 . 0 0 "[ . 1]" 4
302 2 44 GLU HA 2 44 GLU HB2 2.935 . 4.012 3.007 2.998 3.012 . 0 0 "[ . 1]" 4
303 1 12 GLU QG 1 75 SER HA 3.542 . 4.600 3.195 2.406 4.072 . 0 0 "[ . 1]" 4
304 2 12 GLU QG 2 75 SER HA 3.542 . 4.600 3.195 2.408 4.071 . 0 0 "[ . 1]" 4
305 1 74 PRO HD3 1 74 PRO HG2 2.394 . 3.110 2.789 2.782 2.796 . 0 0 "[ . 1]" 4
306 2 74 PRO HD3 2 74 PRO HG2 2.394 . 3.110 2.790 2.781 2.795 . 0 0 "[ . 1]" 4
307 1 66 GLU H 1 66 GLU QG 2.961 . 4.057 2.902 2.345 3.861 . 0 0 "[ . 1]" 4
308 2 66 GLU H 2 66 GLU QG 2.961 . 4.057 2.902 2.345 3.861 . 0 0 "[ . 1]" 4
309 1 12 GLU H 1 12 GLU QG 2.561 . 3.381 2.651 1.444 3.524 0.297 7 0 "[ . 1]" 4
310 2 12 GLU H 2 12 GLU QG 2.561 . 3.381 2.651 1.443 3.524 0.298 7 0 "[ . 1]" 4
311 1 11 GLU H 1 11 GLU HG2 2.842 . 3.851 2.850 2.572 3.635 . 0 0 "[ . 1]" 4
312 2 11 GLU H 2 11 GLU HG2 2.842 . 3.851 2.850 2.572 3.634 . 0 0 "[ . 1]" 4
313 1 66 GLU HA 1 66 GLU QG 2.939 . 4.018 2.958 2.214 3.456 . 0 0 "[ . 1]" 4
314 2 66 GLU HA 2 66 GLU QG 2.939 . 4.018 2.958 2.213 3.459 . 0 0 "[ . 1]" 4
315 1 54 PRO HA 1 54 PRO HB3 2.256 . 2.892 2.281 2.225 2.303 . 0 0 "[ . 1]" 4
316 2 54 PRO HA 2 54 PRO HB3 2.256 . 2.892 2.281 2.226 2.302 . 0 0 "[ . 1]" 4
317 1 55 ALA HA 1 66 GLU QG 3.384 . 4.815 3.326 1.870 4.879 0.083 8 0 "[ . 1]" 4
318 2 55 ALA HA 2 66 GLU QG 3.384 . 4.815 3.326 1.867 4.881 0.086 8 0 "[ . 1]" 4
319 1 55 ALA MB 1 66 GLU QG 2.814 . 3.804 2.306 1.765 3.920 0.116 10 0 "[ . 1]" 4
320 2 55 ALA MB 2 66 GLU QG 2.814 . 3.804 2.306 1.764 3.920 0.116 10 0 "[ . 1]" 4
321 1 56 GLN HB2 1 57 ARG H 2.357 . 3.052 2.089 1.512 3.234 0.182 5 0 "[ . 1]" 4
322 2 56 GLN HB2 2 57 ARG H 2.357 . 3.052 2.089 1.510 3.235 0.183 5 0 "[ . 1]" 4
323 1 86 ARG H 1 86 ARG HB3 3.412 . 4.867 3.384 2.666 3.667 . 0 0 "[ . 1]" 4
324 2 86 ARG H 2 86 ARG HB3 3.412 . 4.867 3.384 2.668 3.666 . 0 0 "[ . 1]" 4
325 1 8 VAL H 1 8 VAL HB 2.431 . 3.170 2.977 2.612 3.533 0.363 9 0 "[ . 1]" 4
326 2 8 VAL H 2 8 VAL HB 2.431 . 3.170 2.978 2.612 3.533 0.363 9 0 "[ . 1]" 4
327 1 87 ARG H 1 87 ARG HB2 2.277 . 2.925 2.073 2.054 2.105 . 0 0 "[ . 1]" 4
328 2 87 ARG H 2 87 ARG HB2 2.277 . 2.925 2.074 2.055 2.105 . 0 0 "[ . 1]" 4
329 1 12 GLU HA 1 12 GLU HB2 2.605 . 3.453 2.932 2.652 3.001 . 0 0 "[ . 1]" 4
330 2 12 GLU HA 2 12 GLU HB2 2.605 . 3.453 2.931 2.651 3.000 . 0 0 "[ . 1]" 4
331 1 9 VAL HA 1 9 VAL HB 2.324 . 2.999 2.423 2.305 2.474 . 0 0 "[ . 1]" 4
332 2 9 VAL HA 2 9 VAL HB 2.324 . 2.999 2.424 2.305 2.476 . 0 0 "[ . 1]" 4
333 1 87 ARG QD 1 87 ARG HG3 2.282 . 2.933 2.424 2.255 2.497 . 0 0 "[ . 1]" 4
334 2 87 ARG QD 2 87 ARG HG3 2.282 . 2.933 2.424 2.256 2.497 . 0 0 "[ . 1]" 4
335 1 72 GLU HB2 1 72 GLU QG 3.117 . 3.920 2.327 2.231 2.511 . 0 0 "[ . 1]" 4
336 2 72 GLU HB2 2 72 GLU QG 3.117 . 3.920 2.327 2.231 2.508 . 0 0 "[ . 1]" 4
337 1 46 LYS HB2 1 72 GLU HB3 2.658 . 3.541 3.548 3.371 3.645 0.104 4 0 "[ . 1]" 4
338 2 46 LYS HB2 2 72 GLU HB3 2.658 . 3.541 3.547 3.372 3.645 0.104 4 0 "[ . 1]" 4
339 1 46 LYS HB2 1 72 GLU HB2 3.573 . 5.169 4.537 4.465 4.597 . 0 0 "[ . 1]" 4
340 2 46 LYS HB2 2 72 GLU HB2 3.573 . 5.169 4.536 4.464 4.596 . 0 0 "[ . 1]" 4
341 1 87 ARG HB2 1 87 ARG HG2 2.044 . 2.566 2.341 2.310 2.382 . 0 0 "[ . 1]" 4
342 2 87 ARG HB2 2 87 ARG HG2 2.044 . 2.566 2.341 2.311 2.382 . 0 0 "[ . 1]" 4
343 1 18 VAL MG2 1 72 GLU HB3 3.025 . 4.169 2.509 2.273 2.597 . 0 0 "[ . 1]" 4
344 2 18 VAL MG2 2 72 GLU HB3 3.025 . 4.169 2.509 2.274 2.597 . 0 0 "[ . 1]" 4
345 1 9 VAL HB 1 9 VAL MG2 1.909 . 2.364 2.123 2.119 2.127 . 0 0 "[ . 1]" 4
346 2 9 VAL HB 2 9 VAL MG2 1.909 . 2.364 2.123 2.120 2.127 . 0 0 "[ . 1]" 4
347 1 39 VAL HB 1 39 VAL MG1 2.781 . 3.101 2.107 2.101 2.116 . 0 0 "[ . 1]" 4
348 2 39 VAL HB 2 39 VAL MG1 2.781 . 3.101 2.107 2.100 2.117 . 0 0 "[ . 1]" 4
349 1 18 VAL H 1 18 VAL HB 2.445 . 3.192 2.684 2.625 2.844 . 0 0 "[ . 1]" 4
350 2 18 VAL H 2 18 VAL HB 2.445 . 3.192 2.684 2.627 2.844 . 0 0 "[ . 1]" 4
351 1 57 ARG H 1 57 ARG HB2 3.147 . 4.385 3.539 2.823 3.860 . 0 0 "[ . 1]" 4
352 2 57 ARG H 2 57 ARG HB2 3.147 . 4.385 3.539 2.822 3.859 . 0 0 "[ . 1]" 4
353 1 38 LYS H 1 38 LYS HB2 2.646 . 3.521 2.638 2.381 2.868 . 0 0 "[ . 1]" 4
354 2 38 LYS H 2 38 LYS HB2 2.646 . 3.521 2.638 2.381 2.869 . 0 0 "[ . 1]" 4
355 1 35 ARG QB 1 36 ALA H 3.425 . 4.891 2.956 2.492 3.637 . 0 0 "[ . 1]" 4
356 2 35 ARG QB 2 36 ALA H 3.425 . 4.891 2.955 2.489 3.637 . 0 0 "[ . 1]" 4
357 1 93 ARG HA 1 93 ARG HG3 3.593 . 5.207 3.650 3.584 3.724 . 0 0 "[ . 1]" 4
358 2 93 ARG HA 2 93 ARG HG3 3.593 . 5.207 3.650 3.582 3.725 . 0 0 "[ . 1]" 4
359 1 46 LYS HA 1 46 LYS HB2 2.374 . 3.078 3.022 3.010 3.030 . 0 0 "[ . 1]" 4
360 2 46 LYS HA 2 46 LYS HB2 2.374 . 3.078 3.022 3.008 3.030 . 0 0 "[ . 1]" 4
361 1 13 ARG HB3 1 13 ARG HD2 2.609 . 3.460 2.206 2.098 2.324 . 0 0 "[ . 1]" 4
362 2 13 ARG HB3 2 13 ARG HD2 2.609 . 3.460 2.207 2.099 2.324 . 0 0 "[ . 1]" 4
363 1 35 ARG QB 1 35 ARG QD 2.254 . 2.889 2.234 2.105 2.355 . 0 0 "[ . 1]" 4
364 2 35 ARG QB 2 35 ARG QD 2.254 . 2.889 2.234 2.104 2.356 . 0 0 "[ . 1]" 4
365 1 46 LYS HB2 1 72 GLU QG 2.649 . 3.526 1.975 1.736 2.176 0.036 1 0 "[ . 1]" 4
366 2 46 LYS HB2 2 72 GLU QG 2.649 . 3.526 1.975 1.735 2.176 0.037 1 0 "[ . 1]" 4
367 1 46 LYS HB2 1 46 LYS QG 2.303 . 2.966 2.163 2.126 2.170 . 0 0 "[ . 1]" 4
368 2 46 LYS HB2 2 46 LYS QG 2.303 . 2.966 2.163 2.125 2.170 . 0 0 "[ . 1]" 4
369 1 22 LEU QD 1 93 ARG HG3 2.231 . 2.853 2.800 2.743 2.856 0.003 4 0 "[ . 1]" 4
370 2 22 LEU QD 2 93 ARG HG3 2.231 . 2.853 2.800 2.742 2.857 0.004 4 0 "[ . 1]" 4
371 1 82 LEU HB3 1 82 LEU MD2 2.388 . 3.101 2.428 2.405 2.454 . 0 0 "[ . 1]" 4
372 2 82 LEU HB3 2 82 LEU MD2 2.388 . 3.101 2.428 2.406 2.455 . 0 0 "[ . 1]" 4
373 1 33 LEU QD 1 67 TYR QB 2.395 . 3.112 1.937 1.562 2.668 0.376 8 0 "[ . 1]" 4
374 2 33 LEU QD 2 67 TYR QB 2.395 . 3.112 1.937 1.562 2.668 0.376 8 0 "[ . 1]" 4
375 1 69 VAL HB 1 69 VAL MG2 1.987 . 2.481 2.092 2.055 2.113 . 0 0 "[ . 1]" 4
376 2 69 VAL HB 2 69 VAL MG2 1.987 . 2.481 2.091 2.054 2.112 . 0 0 "[ . 1]" 4
377 1 4 PRO HB2 1 5 LEU MD2 2.165 . 2.751 2.149 1.770 2.490 . 0 0 "[ . 1]" 4
378 2 4 PRO HB2 2 5 LEU MD2 2.165 . 2.751 2.148 1.769 2.491 . 0 0 "[ . 1]" 4
379 1 18 VAL HB 1 18 VAL MG2 2.205 . 2.813 2.128 2.123 2.136 . 0 0 "[ . 1]" 4
380 2 18 VAL HB 2 18 VAL MG2 2.205 . 2.813 2.129 2.123 2.136 . 0 0 "[ . 1]" 4
381 1 47 ILE HB 1 47 ILE MD 2.620 . 3.478 3.204 3.198 3.210 . 0 0 "[ . 1]" 4
382 2 47 ILE HB 2 47 ILE MD 2.620 . 3.478 3.204 3.197 3.210 . 0 0 "[ . 1]" 4
383 1 18 VAL HB 1 18 VAL MG1 2.213 . 2.825 2.091 2.083 2.115 . 0 0 "[ . 1]" 4
384 2 18 VAL HB 2 18 VAL MG1 2.213 . 2.825 2.091 2.084 2.114 . 0 0 "[ . 1]" 4
385 1 54 PRO HB3 1 65 LEU MD1 3.499 . 5.029 3.440 1.933 4.289 0.036 1 0 "[ . 1]" 4
386 2 54 PRO HB3 2 65 LEU MD1 3.499 . 5.029 3.439 1.929 4.290 0.040 1 0 "[ . 1]" 4
387 1 37 VAL H 1 37 VAL HB 2.741 . 3.680 3.547 3.508 3.586 . 0 0 "[ . 1]" 4
388 2 37 VAL H 2 37 VAL HB 2.741 . 3.680 3.550 3.510 3.587 . 0 0 "[ . 1]" 4
389 1 59 LEU H 1 59 LEU HB3 3.185 . 4.453 3.542 3.129 3.662 . 0 0 "[ . 1]" 4
390 2 59 LEU H 2 59 LEU HB3 3.185 . 4.453 3.541 3.129 3.662 . 0 0 "[ . 1]" 4
391 1 57 ARG H 1 57 ARG HB3 3.233 . 4.540 3.660 3.243 4.221 . 0 0 "[ . 1]" 4
392 2 57 ARG H 2 57 ARG HB3 3.233 . 4.540 3.660 3.245 4.221 . 0 0 "[ . 1]" 4
393 1 37 VAL HB 1 38 LYS H 2.763 . 3.717 3.695 3.536 3.760 0.043 4 0 "[ . 1]" 4
394 2 37 VAL HB 2 38 LYS H 2.763 . 3.717 3.698 3.537 3.760 0.043 4 0 "[ . 1]" 4
395 1 13 ARG HA 1 13 ARG HB3 2.334 . 3.015 2.951 2.914 2.983 . 0 0 "[ . 1]" 4
396 2 13 ARG HA 2 13 ARG HB3 2.334 . 3.015 2.950 2.913 2.983 . 0 0 "[ . 1]" 4
397 1 57 ARG HA 1 57 ARG HB3 2.648 . 3.525 2.295 2.197 2.418 . 0 0 "[ . 1]" 4
398 2 57 ARG HA 2 57 ARG HB3 2.648 . 3.525 2.295 2.197 2.418 . 0 0 "[ . 1]" 4
399 1 59 LEU HA 1 59 LEU HB2 2.439 . 3.182 2.951 2.661 3.014 . 0 0 "[ . 1]" 4
400 2 59 LEU HA 2 59 LEU HB2 2.439 . 3.182 2.951 2.660 3.013 . 0 0 "[ . 1]" 4
401 1 75 SER HA 1 78 LEU HB2 4.437 . 6.898 3.141 3.056 3.290 . 0 0 "[ . 1]" 4
402 2 75 SER HA 2 78 LEU HB2 4.437 . 6.898 3.140 3.057 3.290 . 0 0 "[ . 1]" 4
403 1 85 VAL HA 1 85 VAL HB 2.521 . 3.316 2.924 2.888 2.943 . 0 0 "[ . 1]" 4
404 2 85 VAL HA 2 85 VAL HB 2.521 . 3.316 2.924 2.887 2.942 . 0 0 "[ . 1]" 4
405 1 57 ARG HB3 1 58 PRO HD2 2.926 . 3.996 3.979 3.728 4.076 0.080 4 0 "[ . 1]" 4
406 2 57 ARG HB3 2 58 PRO HD2 2.926 . 3.996 3.978 3.726 4.075 0.079 4 0 "[ . 1]" 4
407 1 87 ARG QD 1 87 ARG HG2 2.180 . 2.774 2.197 2.134 2.414 . 0 0 "[ . 1]" 4
408 2 87 ARG QD 2 87 ARG HG2 2.180 . 2.774 2.197 2.134 2.415 . 0 0 "[ . 1]" 4
409 1 54 PRO HB2 1 54 PRO HG3 2.207 . 2.816 2.970 2.960 2.979 0.163 6 0 "[ . 1]" 4
410 2 54 PRO HB2 2 54 PRO HG3 2.207 . 2.816 2.971 2.960 2.979 0.163 6 0 "[ . 1]" 4
411 1 57 ARG HB3 1 57 ARG HD3 2.726 . 3.655 3.123 2.335 3.689 0.034 9 0 "[ . 1]" 4
412 2 57 ARG HB3 2 57 ARG HD3 2.726 . 3.655 3.124 2.337 3.690 0.035 9 0 "[ . 1]" 4
413 1 13 ARG HG3 1 14 ASP QB 2.976 . 4.083 3.470 3.108 3.712 . 0 0 "[ . 1]" 4
414 2 13 ARG HG3 2 14 ASP QB 2.976 . 4.083 3.470 3.107 3.714 . 0 0 "[ . 1]" 4
415 1 21 LEU HB2 1 21 LEU MD2 2.512 . 3.301 2.147 2.099 2.185 . 0 0 "[ . 1]" 4
416 2 21 LEU HB2 2 21 LEU MD2 2.512 . 3.301 2.147 2.098 2.186 . 0 0 "[ . 1]" 4
417 1 59 LEU HB2 1 59 LEU MD2 2.223 . 2.841 2.340 2.078 2.550 . 0 0 "[ . 1]" 4
418 2 59 LEU HB2 2 59 LEU MD2 2.223 . 2.841 2.340 2.079 2.551 . 0 0 "[ . 1]" 4
419 1 5 LEU HB2 1 5 LEU MD2 2.309 . 2.975 2.255 2.216 2.280 . 0 0 "[ . 1]" 4
420 2 5 LEU HB2 2 5 LEU MD2 2.309 . 2.975 2.255 2.217 2.280 . 0 0 "[ . 1]" 4
421 1 39 VAL MG2 1 85 VAL HB 2.546 . 3.356 3.133 2.972 3.266 . 0 0 "[ . 1]" 4
422 2 39 VAL MG2 2 85 VAL HB 2.546 . 3.356 3.132 2.971 3.264 . 0 0 "[ . 1]" 4
423 1 82 LEU MD1 1 85 VAL HB 2.660 . 3.544 3.504 3.422 3.565 0.021 10 0 "[ . 1]" 4
424 2 82 LEU MD1 2 85 VAL HB 2.660 . 3.544 3.504 3.422 3.565 0.021 10 0 "[ . 1]" 4
425 1 13 ARG H 1 13 ARG HG3 3.163 . 4.414 4.673 4.543 4.797 0.383 8 0 "[ . 1]" 4
426 2 13 ARG H 2 13 ARG HG3 3.163 . 4.414 4.672 4.542 4.797 0.383 8 0 "[ . 1]" 4
427 1 47 ILE H 1 47 ILE HG12 3.679 . 5.371 1.802 1.758 1.845 0.229 2 0 "[ . 1]" 4
428 2 47 ILE H 2 47 ILE HG12 3.679 . 5.371 1.802 1.758 1.842 0.229 2 0 "[ . 1]" 4
429 1 7 ALA MB 1 94 SER H 3.683 . 5.379 4.162 3.237 4.838 . 0 0 "[ . 1]" 4
430 2 7 ALA MB 2 94 SER H 3.683 . 5.379 4.161 3.236 4.838 . 0 0 "[ . 1]" 4
431 1 45 ALA H 1 45 ALA MB 2.305 . 2.969 2.113 2.075 2.158 . 0 0 "[ . 1]" 4
432 2 45 ALA H 2 45 ALA MB 2.305 . 2.969 2.113 2.076 2.157 . 0 0 "[ . 1]" 4
433 1 13 ARG HG2 1 16 ASN H 3.519 . 5.067 4.464 3.907 4.789 . 0 0 "[ . 1]" 4
434 2 13 ARG HG2 2 16 ASN H 3.519 . 5.067 4.464 3.909 4.789 . 0 0 "[ . 1]" 4
435 1 45 ALA MB 1 71 PHE HD2 2.470 . 3.233 2.613 2.521 2.695 . 0 0 "[ . 1]" 4
436 2 45 ALA MB 2 71 PHE HD2 2.470 . 3.233 2.613 2.520 2.696 . 0 0 "[ . 1]" 4
437 1 45 ALA MB 1 71 PHE HA 4.267 . 6.543 4.965 4.863 5.095 . 0 0 "[ . 1]" 4
438 2 45 ALA MB 2 71 PHE HA 4.267 . 6.543 4.965 4.865 5.094 . 0 0 "[ . 1]" 4
439 1 92 VAL HA 1 93 ARG HG2 2.957 . 4.050 3.845 3.601 4.051 0.001 5 0 "[ . 1]" 4
440 2 92 VAL HA 2 93 ARG HG2 2.957 . 4.050 3.844 3.600 4.050 0.000 5 0 "[ . 1]" 4
441 1 45 ALA MB 1 73 VAL HA 3.029 . 4.176 2.481 2.435 2.510 . 0 0 "[ . 1]" 4
442 2 45 ALA MB 2 73 VAL HA 3.029 . 4.176 2.482 2.438 2.511 . 0 0 "[ . 1]" 4
443 1 45 ALA HA 1 45 ALA MB 2.420 . 3.152 2.103 2.093 2.110 . 0 0 "[ . 1]" 4
444 2 45 ALA HA 2 45 ALA MB 2.420 . 3.152 2.103 2.094 2.111 . 0 0 "[ . 1]" 4
445 1 13 ARG HA 1 13 ARG HG3 2.475 . 3.241 3.097 2.994 3.225 . 0 0 "[ . 1]" 4
446 2 13 ARG HA 2 13 ARG HG3 2.475 . 3.241 3.097 2.995 3.224 . 0 0 "[ . 1]" 4
447 1 57 ARG HA 1 57 ARG HG2 2.423 . 3.157 3.209 2.817 3.402 0.245 8 0 "[ . 1]" 4
448 2 57 ARG HA 2 57 ARG HG2 2.423 . 3.157 3.209 2.817 3.402 0.245 8 0 "[ . 1]" 4
449 1 40 PHE HA 1 45 ALA MB 2.520 . 3.314 2.741 2.690 2.782 . 0 0 "[ . 1]" 4
450 2 40 PHE HA 2 45 ALA MB 2.520 . 3.314 2.741 2.690 2.781 . 0 0 "[ . 1]" 4
451 1 43 PHE HB3 1 45 ALA MB 3.501 . 5.033 4.050 3.940 4.171 . 0 0 "[ . 1]" 4
452 2 43 PHE HB3 2 45 ALA MB 3.501 . 5.033 4.050 3.940 4.169 . 0 0 "[ . 1]" 4
453 1 13 ARG HG2 1 14 ASP QB 3.614 . 5.247 2.439 2.312 2.602 . 0 0 "[ . 1]" 4
454 2 13 ARG HG2 2 14 ASP QB 3.614 . 5.247 2.439 2.312 2.601 . 0 0 "[ . 1]" 4
455 1 40 PHE HB2 1 45 ALA MB 2.873 . 3.905 3.710 3.675 3.726 . 0 0 "[ . 1]" 4
456 2 40 PHE HB2 2 45 ALA MB 2.873 . 3.905 3.710 3.675 3.727 . 0 0 "[ . 1]" 4
457 1 40 PHE HB3 1 45 ALA MB 2.425 . 3.160 2.978 2.914 3.018 . 0 0 "[ . 1]" 4
458 2 40 PHE HB3 2 45 ALA MB 2.425 . 3.160 2.978 2.913 3.017 . 0 0 "[ . 1]" 4
459 1 43 PHE HB2 1 45 ALA MB 3.099 . 4.300 3.686 3.579 3.774 . 0 0 "[ . 1]" 4
460 2 43 PHE HB2 2 45 ALA MB 3.099 . 4.300 3.685 3.577 3.775 . 0 0 "[ . 1]" 4
461 1 50 LEU HB3 1 69 VAL MG1 2.565 . 3.388 3.612 3.538 3.703 0.315 7 0 "[ . 1]" 4
462 2 50 LEU HB3 2 69 VAL MG1 2.565 . 3.388 3.612 3.535 3.701 0.313 7 0 "[ . 1]" 4
463 1 22 LEU HB3 1 22 LEU QD 2.512 . 3.231 2.061 2.012 2.080 . 0 0 "[ . 1]" 4
464 2 22 LEU HB3 2 22 LEU QD 2.512 . 3.231 2.063 2.012 2.082 . 0 0 "[ . 1]" 4
465 1 47 ILE MG 1 50 LEU HB2 2.525 . 3.322 2.365 2.231 2.492 . 0 0 "[ . 1]" 4
466 2 47 ILE MG 2 50 LEU HB2 2.525 . 3.322 2.365 2.231 2.492 . 0 0 "[ . 1]" 4
467 1 59 LEU HB3 1 59 LEU MD2 2.040 . 2.560 2.279 2.058 2.456 . 0 0 "[ . 1]" 4
468 2 59 LEU HB3 2 59 LEU MD2 2.040 . 2.560 2.279 2.058 2.456 . 0 0 "[ . 1]" 4
469 1 7 ALA MB 1 8 VAL QG 2.343 . 3.029 2.508 2.080 2.994 . 0 0 "[ . 1]" 4
470 2 7 ALA MB 2 8 VAL QG 2.343 . 3.029 2.508 2.080 2.997 . 0 0 "[ . 1]" 4
471 1 45 ALA MB 1 73 VAL MG2 2.483 . 3.254 1.763 1.738 1.780 . 0 0 "[ . 1]" 4
472 2 45 ALA MB 2 73 VAL MG2 2.483 . 3.254 1.763 1.739 1.780 . 0 0 "[ . 1]" 4
473 1 47 ILE MD 1 47 ILE HG13 2.214 . 2.827 2.085 2.082 2.088 . 0 0 "[ . 1]" 4
474 2 47 ILE MD 2 47 ILE HG13 2.214 . 2.827 2.085 2.081 2.090 . 0 0 "[ . 1]" 4
475 1 81 LEU HB2 1 81 LEU MD1 4.153 . 6.309 2.316 2.289 2.348 . 0 0 "[ . 1]" 4
476 2 81 LEU HB2 2 81 LEU MD1 4.153 . 6.309 2.316 2.290 2.347 . 0 0 "[ . 1]" 4
477 1 45 ALA MB 1 81 LEU MD2 2.400 . 3.120 2.415 2.348 2.474 . 0 0 "[ . 1]" 4
478 2 45 ALA MB 2 81 LEU MD2 2.400 . 3.120 2.415 2.347 2.474 . 0 0 "[ . 1]" 4
479 1 21 LEU H 1 95 ALA MB 3.173 . 4.431 3.058 2.822 3.452 . 0 0 "[ . 1]" 4
480 2 21 LEU H 2 95 ALA MB 3.173 . 4.431 3.056 2.822 3.453 . 0 0 "[ . 1]" 4
481 1 22 LEU H 1 95 ALA MB 2.829 . 3.829 3.686 3.610 3.744 . 0 0 "[ . 1]" 4
482 2 22 LEU H 2 95 ALA MB 2.829 . 3.829 3.686 3.610 3.744 . 0 0 "[ . 1]" 4
483 1 80 ALA MB 1 82 LEU H 3.603 . 5.226 4.126 4.098 4.153 . 0 0 "[ . 1]" 4
484 2 80 ALA MB 2 82 LEU H 3.603 . 5.226 4.126 4.099 4.153 . 0 0 "[ . 1]" 4
485 1 20 ASN HD21 1 95 ALA MB 3.203 . 4.486 2.593 1.662 3.185 0.258 2 0 "[ . 1]" 4
486 2 20 ASN HD21 2 95 ALA MB 3.203 . 4.486 2.592 1.661 3.186 0.259 2 0 "[ . 1]" 4
487 1 68 PHE QD 1 95 ALA MB 2.425 . 3.160 2.529 2.356 2.743 . 0 0 "[ . 1]" 4
488 2 68 PHE QD 2 95 ALA MB 2.425 . 3.160 2.529 2.357 2.742 . 0 0 "[ . 1]" 4
489 1 78 LEU H 1 79 ALA MB 3.197 . 4.475 4.225 4.196 4.241 . 0 0 "[ . 1]" 4
490 2 78 LEU H 2 79 ALA MB 3.197 . 4.475 4.225 4.199 4.241 . 0 0 "[ . 1]" 4
491 1 20 ASN HD22 1 95 ALA MB 3.217 . 4.510 3.359 3.053 3.608 . 0 0 "[ . 1]" 4
492 2 20 ASN HD22 2 95 ALA MB 3.217 . 4.510 3.359 3.053 3.608 . 0 0 "[ . 1]" 4
493 1 77 ASP HA 1 80 ALA MB 2.011 . 2.517 1.944 1.882 2.009 . 0 0 "[ . 1]" 4
494 2 77 ASP HA 2 80 ALA MB 2.011 . 2.517 1.943 1.882 2.008 . 0 0 "[ . 1]" 4
495 1 80 ALA MB 1 81 LEU HA 2.910 . 3.969 3.770 3.764 3.783 . 0 0 "[ . 1]" 4
496 2 80 ALA MB 2 81 LEU HA 2.910 . 3.969 3.770 3.765 3.782 . 0 0 "[ . 1]" 4
497 1 82 LEU HB2 1 82 LEU MD2 2.406 . 3.130 2.218 2.207 2.227 . 0 0 "[ . 1]" 4
498 2 82 LEU HB2 2 82 LEU MD2 2.406 . 3.130 2.218 2.208 2.225 . 0 0 "[ . 1]" 4
499 1 33 LEU QD 1 33 LEU HG 2.060 . 2.590 1.863 1.849 1.885 . 0 0 "[ . 1]" 4
500 2 33 LEU QD 2 33 LEU HG 2.060 . 2.590 1.863 1.849 1.885 . 0 0 "[ . 1]" 4
501 1 80 ALA MB 1 81 LEU HG 2.661 . 3.546 2.967 2.862 3.007 . 0 0 "[ . 1]" 4
502 2 80 ALA MB 2 81 LEU HG 2.661 . 3.546 2.966 2.860 3.007 . 0 0 "[ . 1]" 4
503 1 80 ALA MB 1 81 LEU HB3 2.899 . 3.949 3.866 3.852 3.882 . 0 0 "[ . 1]" 4
504 2 80 ALA MB 2 81 LEU HB3 2.899 . 3.949 3.865 3.850 3.881 . 0 0 "[ . 1]" 4
505 1 36 ALA MB 1 37 VAL H 3.076 . 4.259 2.526 2.367 2.690 . 0 0 "[ . 1]" 4
506 2 36 ALA MB 2 37 VAL H 3.076 . 4.259 2.526 2.369 2.690 . 0 0 "[ . 1]" 4
507 1 36 ALA H 1 36 ALA MB 2.626 . 3.488 2.235 2.197 2.263 . 0 0 "[ . 1]" 4
508 2 36 ALA H 2 36 ALA MB 2.626 . 3.488 2.234 2.194 2.262 . 0 0 "[ . 1]" 4
509 1 73 VAL MG1 1 78 LEU H 2.968 . 4.069 2.930 2.877 3.005 . 0 0 "[ . 1]" 4
510 2 73 VAL MG1 2 78 LEU H 2.968 . 4.069 2.930 2.877 3.006 . 0 0 "[ . 1]" 4
511 1 45 ALA H 1 73 VAL MG1 4.017 . 6.034 3.830 3.767 3.876 . 0 0 "[ . 1]" 4
512 2 45 ALA H 2 73 VAL MG1 4.017 . 6.034 3.829 3.767 3.876 . 0 0 "[ . 1]" 4
513 1 73 VAL HA 1 73 VAL MG1 2.336 . 3.018 2.122 2.066 2.147 . 0 0 "[ . 1]" 4
514 2 73 VAL HA 2 73 VAL MG1 2.336 . 3.018 2.123 2.073 2.146 . 0 0 "[ . 1]" 4
515 1 73 VAL MG1 1 77 ASP HB2 2.432 . 3.172 2.263 2.111 3.134 . 0 0 "[ . 1]" 4
516 2 73 VAL MG1 2 77 ASP HB2 2.432 . 3.172 2.262 2.111 3.132 . 0 0 "[ . 1]" 4
517 1 73 VAL HB 1 73 VAL MG1 2.276 . 2.923 2.070 2.064 2.073 . 0 0 "[ . 1]" 4
518 2 73 VAL HB 2 73 VAL MG1 2.276 . 2.923 2.069 2.064 2.073 . 0 0 "[ . 1]" 4
519 1 73 VAL MG1 1 74 PRO HB2 2.760 . 3.712 3.301 3.270 3.381 . 0 0 "[ . 1]" 4
520 2 73 VAL MG1 2 74 PRO HB2 2.760 . 3.712 3.300 3.271 3.377 . 0 0 "[ . 1]" 4
521 1 33 LEU HB3 1 36 ALA MB 2.821 . 3.815 3.517 3.229 3.687 . 0 0 "[ . 1]" 4
522 2 33 LEU HB3 2 36 ALA MB 2.821 . 3.815 3.517 3.230 3.687 . 0 0 "[ . 1]" 4
523 1 33 LEU QD 1 36 ALA MB 2.568 . 3.392 2.541 1.865 3.110 . 0 0 "[ . 1]" 4
524 2 33 LEU QD 2 36 ALA MB 2.568 . 3.392 2.541 1.865 3.108 . 0 0 "[ . 1]" 4
525 1 21 LEU H 1 22 LEU QD 3.793 . 5.592 4.440 4.350 4.500 . 0 0 "[ . 1]" 4
526 2 21 LEU H 2 22 LEU QD 3.793 . 5.592 4.439 4.350 4.494 . 0 0 "[ . 1]" 4
527 1 17 ALA H 1 17 ALA MB 2.564 . 3.386 2.337 2.253 2.396 . 0 0 "[ . 1]" 4
528 2 17 ALA H 2 17 ALA MB 2.564 . 3.386 2.337 2.252 2.397 . 0 0 "[ . 1]" 4
529 1 22 LEU QD 1 68 PHE H 2.520 . 3.314 3.291 3.224 3.493 0.179 8 0 "[ . 1]" 4
530 2 22 LEU QD 2 68 PHE H 2.520 . 3.314 3.290 3.227 3.493 0.179 8 0 "[ . 1]" 4
531 1 22 LEU QD 1 23 PHE H 2.844 . 3.855 3.561 3.466 3.635 . 0 0 "[ . 1]" 4
532 2 22 LEU QD 2 23 PHE H 2.844 . 3.855 3.562 3.466 3.642 . 0 0 "[ . 1]" 4
533 1 55 ALA MB 1 66 GLU H 3.555 . 5.134 3.300 2.710 4.057 . 0 0 "[ . 1]" 4
534 2 55 ALA MB 2 66 GLU H 3.555 . 5.134 3.299 2.709 4.057 . 0 0 "[ . 1]" 4
535 1 22 LEU QD 1 68 PHE QD 2.501 . 3.283 2.487 2.073 2.677 . 0 0 "[ . 1]" 4
536 2 22 LEU QD 2 68 PHE QD 2.501 . 3.283 2.487 2.073 2.679 . 0 0 "[ . 1]" 4
537 1 10 PHE QD 1 17 ALA MB 2.548 . 3.359 1.987 1.824 2.155 . 0 0 "[ . 1]" 4
538 2 10 PHE QD 2 17 ALA MB 2.548 . 3.359 1.987 1.825 2.155 . 0 0 "[ . 1]" 4
539 1 22 LEU QD 1 68 PHE HA 2.537 . 3.342 1.759 1.649 1.863 0.083 8 0 "[ . 1]" 4
540 2 22 LEU QD 2 68 PHE HA 2.537 . 3.342 1.758 1.650 1.861 0.082 8 0 "[ . 1]" 4
541 1 12 GLU HA 1 17 ALA MB 2.853 . 3.870 2.968 2.895 3.071 . 0 0 "[ . 1]" 4
542 2 12 GLU HA 2 17 ALA MB 2.853 . 3.870 2.968 2.894 3.072 . 0 0 "[ . 1]" 4
543 1 17 ALA MB 1 75 SER HA 2.253 . 2.888 2.338 2.048 2.452 . 0 0 "[ . 1]" 4
544 2 17 ALA MB 2 75 SER HA 2.253 . 2.888 2.338 2.049 2.453 . 0 0 "[ . 1]" 4
545 1 22 LEU QD 1 68 PHE HB3 2.804 . 3.787 3.521 3.385 3.641 . 0 0 "[ . 1]" 4
546 2 22 LEU QD 2 68 PHE HB3 2.804 . 3.787 3.520 3.386 3.641 . 0 0 "[ . 1]" 4
547 1 10 PHE QB 1 17 ALA MB 2.993 . 4.113 3.123 2.937 3.629 . 0 0 "[ . 1]" 4
548 2 10 PHE QB 2 17 ALA MB 2.993 . 4.113 3.123 2.936 3.631 . 0 0 "[ . 1]" 4
549 1 55 ALA MB 1 56 GLN HG2 3.219 . 4.514 3.662 2.550 4.165 . 0 0 "[ . 1]" 4
550 2 55 ALA MB 2 56 GLN HG2 3.219 . 4.514 3.662 2.550 4.165 . 0 0 "[ . 1]" 4
551 1 78 LEU HB3 1 78 LEU MD2 3.815 . 5.634 2.345 2.317 2.362 . 0 0 "[ . 1]" 4
552 2 78 LEU HB3 2 78 LEU MD2 3.815 . 5.634 2.346 2.317 2.363 . 0 0 "[ . 1]" 4
553 1 17 ALA MB 1 78 LEU MD2 2.346 . 3.034 1.705 1.673 1.736 . 0 0 "[ . 1]" 4
554 2 17 ALA MB 2 78 LEU MD2 2.346 . 3.034 1.705 1.673 1.736 . 0 0 "[ . 1]" 4
555 1 50 LEU MD2 1 51 GLU H 2.528 . 3.327 2.096 1.731 2.288 . 0 0 "[ . 1]" 4
556 2 50 LEU MD2 2 51 GLU H 2.528 . 3.327 2.096 1.732 2.288 . 0 0 "[ . 1]" 4
557 1 50 LEU HA 1 50 LEU MD2 2.433 . 3.173 2.251 2.202 2.362 . 0 0 "[ . 1]" 4
558 2 50 LEU HA 2 50 LEU MD2 2.433 . 3.173 2.251 2.200 2.361 . 0 0 "[ . 1]" 4
559 1 92 VAL HA 1 92 VAL MG1 2.308 . 2.974 2.029 1.815 2.442 . 0 0 "[ . 1]" 4
560 2 92 VAL HA 2 92 VAL MG1 2.308 . 2.974 2.029 1.816 2.443 . 0 0 "[ . 1]" 4
561 1 19 LEU QD 1 71 PHE HE1 3.547 . 5.120 3.367 3.075 3.506 . 0 0 "[ . 1]" 4
562 2 19 LEU QD 2 71 PHE HE1 3.547 . 5.120 3.367 3.072 3.507 . 0 0 "[ . 1]" 4
563 1 81 LEU MD2 1 81 LEU HG 2.291 . 2.947 2.114 2.106 2.118 . 0 0 "[ . 1]" 4
564 2 81 LEU MD2 2 81 LEU HG 2.291 . 2.947 2.114 2.106 2.117 . 0 0 "[ . 1]" 4
565 1 47 ILE MG 1 48 HIS H 2.955 . 4.047 2.417 2.277 2.570 . 0 0 "[ . 1]" 4
566 2 47 ILE MG 2 48 HIS H 2.955 . 4.047 2.417 2.276 2.571 . 0 0 "[ . 1]" 4
567 1 13 ARG H 1 18 VAL MG2 2.656 . 3.538 3.274 3.086 3.560 0.022 8 0 "[ . 1]" 4
568 2 13 ARG H 2 18 VAL MG2 2.656 . 3.538 3.274 3.085 3.559 0.021 8 0 "[ . 1]" 4
569 1 82 LEU H 1 82 LEU MD2 2.815 . 3.805 3.685 3.660 3.714 . 0 0 "[ . 1]" 4
570 2 82 LEU H 2 82 LEU MD2 2.815 . 3.805 3.685 3.660 3.714 . 0 0 "[ . 1]" 4
571 1 78 LEU MD1 1 79 ALA H 3.215 . 4.507 4.219 4.204 4.244 . 0 0 "[ . 1]" 4
572 2 78 LEU MD1 2 79 ALA H 3.215 . 4.507 4.218 4.204 4.244 . 0 0 "[ . 1]" 4
573 1 19 LEU QD 1 20 ASN H 2.997 . 4.119 3.399 3.282 3.553 . 0 0 "[ . 1]" 4
574 2 19 LEU QD 2 20 ASN H 2.997 . 4.119 3.399 3.282 3.553 . 0 0 "[ . 1]" 4
575 1 78 LEU MD1 1 81 LEU H 3.446 . 4.930 4.708 4.682 4.748 . 0 0 "[ . 1]" 4
576 2 78 LEU MD1 2 81 LEU H 3.446 . 4.930 4.708 4.681 4.748 . 0 0 "[ . 1]" 4
577 1 78 LEU H 1 78 LEU MD1 2.975 . 4.081 3.800 3.751 3.818 . 0 0 "[ . 1]" 4
578 2 78 LEU H 2 78 LEU MD1 2.975 . 4.081 3.799 3.751 3.817 . 0 0 "[ . 1]" 4
579 1 69 VAL MG1 1 71 PHE HD1 2.483 . 3.253 3.006 2.850 3.164 . 0 0 "[ . 1]" 4
580 2 69 VAL MG1 2 71 PHE HD1 2.483 . 3.253 3.006 2.852 3.165 . 0 0 "[ . 1]" 4
581 1 18 VAL MG1 1 72 GLU HA 3.122 . 4.340 3.676 3.290 3.809 . 0 0 "[ . 1]" 4
582 2 18 VAL MG1 2 72 GLU HA 3.122 . 4.340 3.676 3.291 3.807 . 0 0 "[ . 1]" 4
583 1 47 ILE MG 1 71 PHE HA 2.964 . 4.062 2.848 2.795 2.937 . 0 0 "[ . 1]" 4
584 2 47 ILE MG 2 71 PHE HA 2.964 . 4.062 2.848 2.796 2.937 . 0 0 "[ . 1]" 4
585 1 12 GLU HA 1 18 VAL MG2 2.975 . 4.081 3.762 3.140 4.053 . 0 0 "[ . 1]" 4
586 2 12 GLU HA 2 18 VAL MG2 2.975 . 4.081 3.762 3.140 4.053 . 0 0 "[ . 1]" 4
587 1 42 THR HB 1 42 THR MG 2.163 . 2.748 2.116 2.094 2.128 . 0 0 "[ . 1]" 4
588 2 42 THR HB 2 42 THR MG 2.163 . 2.748 2.116 2.094 2.128 . 0 0 "[ . 1]" 4
589 1 9 VAL HA 1 19 LEU QD 3.803 . 5.611 4.847 4.451 5.141 . 0 0 "[ . 1]" 4
590 2 9 VAL HA 2 19 LEU QD 3.803 . 5.611 4.847 4.452 5.141 . 0 0 "[ . 1]" 4
591 1 19 LEU QD 1 94 SER QB 3.681 . 5.375 3.835 3.537 4.394 . 0 0 "[ . 1]" 4
592 2 19 LEU QD 2 94 SER QB 3.681 . 5.375 3.835 3.537 4.394 . 0 0 "[ . 1]" 4
593 1 47 ILE HA 1 47 ILE MG 2.677 . 3.573 1.973 1.947 2.023 . 0 0 "[ . 1]" 4
594 2 47 ILE HA 2 47 ILE MG 2.677 . 3.573 1.973 1.946 2.024 . 0 0 "[ . 1]" 4
595 1 78 LEU HA 1 78 LEU MD1 2.325 . 3.001 1.801 1.771 1.845 . 0 0 "[ . 1]" 4
596 2 78 LEU HA 2 78 LEU MD1 2.325 . 3.001 1.800 1.771 1.844 . 0 0 "[ . 1]" 4
597 1 10 PHE QB 1 19 LEU QD 2.655 . 3.536 1.747 1.581 1.886 0.193 6 0 "[ . 1]" 4
598 2 10 PHE QB 2 19 LEU QD 2.655 . 3.536 1.747 1.582 1.886 0.192 6 0 "[ . 1]" 4
599 1 47 ILE MG 1 71 PHE HB3 2.780 . 3.746 2.094 1.978 2.240 . 0 0 "[ . 1]" 4
600 2 47 ILE MG 2 71 PHE HB3 2.780 . 3.746 2.094 1.976 2.238 . 0 0 "[ . 1]" 4
601 1 19 LEU HB3 1 19 LEU QD 2.586 . 3.422 2.033 1.906 2.089 0.034 6 0 "[ . 1]" 4
602 2 19 LEU HB3 2 19 LEU QD 2.586 . 3.422 2.032 1.906 2.089 0.034 6 0 "[ . 1]" 4
603 1 78 LEU HB2 1 78 LEU MD1 2.324 . 2.999 2.357 2.314 2.384 . 0 0 "[ . 1]" 4
604 2 78 LEU HB2 2 78 LEU MD1 2.324 . 2.999 2.357 2.315 2.381 . 0 0 "[ . 1]" 4
605 1 47 ILE HB 1 47 ILE MG 2.239 . 2.866 2.081 2.080 2.083 . 0 0 "[ . 1]" 4
606 2 47 ILE HB 2 47 ILE MG 2.239 . 2.866 2.081 2.079 2.083 . 0 0 "[ . 1]" 4
607 1 19 LEU HB2 1 19 LEU QD 2.537 . 3.341 2.057 1.997 2.127 . 0 0 "[ . 1]" 4
608 2 19 LEU HB2 2 19 LEU QD 2.537 . 3.341 2.057 1.997 2.129 . 0 0 "[ . 1]" 4
609 1 78 LEU HG 1 82 LEU MD2 2.107 . 2.662 1.768 1.744 1.798 . 0 0 "[ . 1]" 4
610 2 78 LEU HG 2 82 LEU MD2 2.107 . 2.662 1.767 1.746 1.797 . 0 0 "[ . 1]" 4
611 1 78 LEU MD1 1 78 LEU HG 2.257 . 2.894 2.103 2.101 2.106 . 0 0 "[ . 1]" 4
612 2 78 LEU MD1 2 78 LEU HG 2.257 . 2.894 2.103 2.100 2.106 . 0 0 "[ . 1]" 4
613 1 78 LEU MD1 1 81 LEU MD1 2.226 . 2.845 2.266 2.215 2.328 . 0 0 "[ . 1]" 4
614 2 78 LEU MD1 2 81 LEU MD1 2.226 . 2.845 2.267 2.216 2.329 . 0 0 "[ . 1]" 4
615 1 33 LEU QD 1 67 TYR HE1 3.003 . 4.130 3.252 2.671 3.780 . 0 0 "[ . 1]" 4
616 2 33 LEU QD 2 67 TYR HE1 3.003 . 4.130 3.252 2.672 3.782 . 0 0 "[ . 1]" 4
617 1 47 ILE MD 1 48 HIS H 3.637 . 5.291 4.124 4.083 4.180 . 0 0 "[ . 1]" 4
618 2 47 ILE MD 2 48 HIS H 3.637 . 5.291 4.124 4.083 4.181 . 0 0 "[ . 1]" 4
619 1 39 VAL H 1 39 VAL MG1 2.545 . 3.354 3.630 3.625 3.634 0.280 2 0 "[ . 1]" 4
620 2 39 VAL H 2 39 VAL MG1 2.545 . 3.354 3.630 3.625 3.633 0.279 4 0 "[ . 1]" 4
621 1 47 ILE MD 1 71 PHE HD2 3.241 . 4.554 3.213 3.023 3.373 . 0 0 "[ . 1]" 4
622 2 47 ILE MD 2 71 PHE HD2 3.241 . 4.554 3.213 3.023 3.373 . 0 0 "[ . 1]" 4
623 1 47 ILE HA 1 47 ILE MD 2.828 . 3.828 2.385 2.333 2.460 . 0 0 "[ . 1]" 4
624 2 47 ILE HA 2 47 ILE MD 2.828 . 3.828 2.385 2.333 2.460 . 0 0 "[ . 1]" 4
625 1 40 PHE HA 1 47 ILE MD 3.198 . 4.477 3.655 3.621 3.710 . 0 0 "[ . 1]" 4
626 2 40 PHE HA 2 47 ILE MD 3.198 . 4.477 3.655 3.620 3.710 . 0 0 "[ . 1]" 4
627 1 40 PHE HB2 1 47 ILE MD 3.078 . 4.262 1.734 1.672 1.773 0.222 8 0 "[ . 1]" 4
628 2 40 PHE HB2 2 47 ILE MD 3.078 . 4.262 1.734 1.673 1.774 0.221 8 0 "[ . 1]" 4
629 1 40 PHE HB3 1 47 ILE MD 2.659 . 3.543 2.232 2.166 2.278 . 0 0 "[ . 1]" 4
630 2 40 PHE HB3 2 47 ILE MD 2.659 . 3.543 2.232 2.165 2.277 . 0 0 "[ . 1]" 4
631 1 39 VAL MG1 1 85 VAL HB 2.940 . 4.021 2.907 2.742 3.004 . 0 0 "[ . 1]" 4
632 2 39 VAL MG1 2 85 VAL HB 2.940 . 4.021 2.907 2.743 3.006 . 0 0 "[ . 1]" 4
633 1 39 VAL MG1 1 81 LEU HB2 3.216 . 4.509 1.699 1.652 1.740 0.271 7 0 "[ . 1]" 4
634 2 39 VAL MG1 2 81 LEU HB2 3.216 . 4.509 1.699 1.653 1.741 0.270 7 0 "[ . 1]" 4
635 1 39 VAL MG1 1 85 VAL MG2 2.187 . 2.785 1.848 1.789 1.914 . 0 0 "[ . 1]" 4
636 2 39 VAL MG1 2 85 VAL MG2 2.187 . 2.785 1.849 1.791 1.912 . 0 0 "[ . 1]" 4
637 1 79 ALA H 1 81 LEU MD1 3.381 . 4.810 4.407 4.371 4.430 . 0 0 "[ . 1]" 4
638 2 79 ALA H 2 81 LEU MD1 3.381 . 4.810 4.407 4.371 4.431 . 0 0 "[ . 1]" 4
639 1 81 LEU MD1 1 82 LEU H 2.738 . 3.675 1.950 1.898 2.020 . 0 0 "[ . 1]" 4
640 2 81 LEU MD1 2 82 LEU H 2.738 . 3.675 1.950 1.900 2.022 . 0 0 "[ . 1]" 4
641 1 85 VAL H 1 85 VAL MG1 2.699 . 3.609 3.412 3.353 3.438 . 0 0 "[ . 1]" 4
642 2 85 VAL H 2 85 VAL MG1 2.699 . 3.609 3.413 3.354 3.438 . 0 0 "[ . 1]" 4
643 1 43 PHE HD2 1 81 LEU MD1 3.523 . 5.074 3.964 3.945 3.985 . 0 0 "[ . 1]" 4
644 2 43 PHE HD2 2 81 LEU MD1 3.523 . 5.074 3.964 3.945 3.985 . 0 0 "[ . 1]" 4
645 1 33 LEU QD 1 67 TYR QD 2.813 . 3.802 2.300 2.087 2.563 . 0 0 "[ . 1]" 4
646 2 33 LEU QD 2 67 TYR QD 2.813 . 3.802 2.300 2.087 2.563 . 0 0 "[ . 1]" 4
647 1 85 VAL MG1 1 86 ARG HA 2.713 . 3.633 3.102 2.984 3.213 . 0 0 "[ . 1]" 4
648 2 85 VAL MG1 2 86 ARG HA 2.713 . 3.633 3.102 2.984 3.215 . 0 0 "[ . 1]" 4
649 1 33 LEU HA 1 33 LEU QD 2.541 . 3.348 1.972 1.685 2.542 0.049 3 0 "[ . 1]" 4
650 2 33 LEU HA 2 33 LEU QD 2.541 . 3.348 1.969 1.683 2.537 0.051 3 0 "[ . 1]" 4
651 1 78 LEU HA 1 81 LEU MD1 2.478 . 3.245 2.108 2.038 2.168 . 0 0 "[ . 1]" 4
652 2 78 LEU HA 2 81 LEU MD1 2.478 . 3.245 2.108 2.038 2.168 . 0 0 "[ . 1]" 4
653 1 43 PHE HB2 1 81 LEU MD1 3.352 . 4.756 3.962 3.932 3.987 . 0 0 "[ . 1]" 4
654 2 43 PHE HB2 2 81 LEU MD1 3.352 . 4.756 3.963 3.932 3.987 . 0 0 "[ . 1]" 4
655 1 73 VAL HB 1 81 LEU MD1 3.423 . 4.888 3.070 2.998 3.129 . 0 0 "[ . 1]" 4
656 2 73 VAL HB 2 81 LEU MD1 3.423 . 4.888 3.070 3.000 3.129 . 0 0 "[ . 1]" 4
657 1 81 LEU MD1 1 82 LEU HB2 2.596 . 3.439 3.310 3.298 3.328 . 0 0 "[ . 1]" 4
658 2 81 LEU MD1 2 82 LEU HB2 2.596 . 3.439 3.310 3.298 3.327 . 0 0 "[ . 1]" 4
659 1 85 VAL H 1 85 VAL MG2 2.393 . 3.109 2.789 2.692 2.957 . 0 0 "[ . 1]" 4
660 2 85 VAL H 2 85 VAL MG2 2.393 . 3.109 2.790 2.695 2.956 . 0 0 "[ . 1]" 4
661 1 85 VAL MG2 1 86 ARG H 3.259 . 4.586 4.204 4.180 4.232 . 0 0 "[ . 1]" 4
662 2 85 VAL MG2 2 86 ARG H 3.259 . 4.586 4.204 4.180 4.233 . 0 0 "[ . 1]" 4
663 1 36 ALA HA 1 85 VAL MG2 2.757 . 3.707 3.162 3.016 3.390 . 0 0 "[ . 1]" 4
664 2 36 ALA HA 2 85 VAL MG2 2.757 . 3.707 3.162 3.017 3.390 . 0 0 "[ . 1]" 4
665 1 85 VAL HA 1 85 VAL MG2 2.345 . 3.033 2.109 2.047 2.131 . 0 0 "[ . 1]" 4
666 2 85 VAL HA 2 85 VAL MG2 2.345 . 3.033 2.110 2.047 2.131 . 0 0 "[ . 1]" 4
667 1 78 LEU MD2 1 79 ALA H 3.184 . 4.451 3.632 3.500 3.687 . 0 0 "[ . 1]" 4
668 2 78 LEU MD2 2 79 ALA H 3.184 . 4.451 3.632 3.501 3.687 . 0 0 "[ . 1]" 4
669 1 11 GLU H 1 78 LEU MD2 4.729 . 7.525 4.628 4.396 5.422 . 0 0 "[ . 1]" 4
670 2 11 GLU H 2 78 LEU MD2 4.729 . 7.525 4.628 4.396 5.422 . 0 0 "[ . 1]" 4
671 1 10 PHE QD 1 78 LEU MD2 2.818 . 3.810 2.543 2.296 2.813 . 0 0 "[ . 1]" 4
672 2 10 PHE QD 2 78 LEU MD2 2.818 . 3.810 2.543 2.294 2.813 . 0 0 "[ . 1]" 4
673 1 75 SER HA 1 78 LEU MD2 2.561 . 3.381 3.287 3.230 3.344 . 0 0 "[ . 1]" 4
674 2 75 SER HA 2 78 LEU MD2 2.561 . 3.381 3.287 3.229 3.344 . 0 0 "[ . 1]" 4
675 1 10 PHE QB 1 78 LEU MD2 3.441 . 4.921 2.731 2.300 3.247 . 0 0 "[ . 1]" 4
676 2 10 PHE QB 2 78 LEU MD2 3.441 . 4.921 2.731 2.301 3.247 . 0 0 "[ . 1]" 4
677 1 78 LEU HB2 1 78 LEU MD2 2.512 . 3.301 2.407 2.367 2.486 . 0 0 "[ . 1]" 4
678 2 78 LEU HB2 2 78 LEU MD2 2.512 . 3.301 2.406 2.367 2.488 . 0 0 "[ . 1]" 4
679 1 78 LEU MD2 1 78 LEU HG 2.443 . 3.189 2.112 2.106 2.117 . 0 0 "[ . 1]" 4
680 2 78 LEU MD2 2 78 LEU HG 2.443 . 3.189 2.112 2.107 2.118 . 0 0 "[ . 1]" 4
681 1 17 ALA HA 1 78 LEU MD2 3.389 . 4.825 4.113 3.969 4.180 . 0 0 "[ . 1]" 4
682 2 17 ALA HA 2 78 LEU MD2 3.389 . 4.825 4.112 3.967 4.181 . 0 0 "[ . 1]" 4
683 1 19 LEU QD 1 78 LEU MD2 2.585 . 3.420 1.639 1.527 1.748 0.223 8 0 "[ . 1]" 4
684 2 19 LEU QD 2 78 LEU MD2 2.585 . 3.420 1.639 1.527 1.747 0.223 8 0 "[ . 1]" 4
685 1 39 VAL HA 1 81 LEU HB2 3.844 . 5.691 3.051 2.902 3.171 . 0 0 "[ . 1]" 4
686 2 39 VAL HA 2 81 LEU HB2 3.844 . 5.691 3.050 2.901 3.171 . 0 0 "[ . 1]" 4
687 1 39 VAL HA 1 85 VAL MG2 3.770 . 5.547 4.312 4.249 4.471 . 0 0 "[ . 1]" 4
688 2 39 VAL HA 2 85 VAL MG2 3.770 . 5.547 4.311 4.249 4.471 . 0 0 "[ . 1]" 4
689 1 39 VAL HA 1 84 SER QB 3.688 . 5.388 3.340 3.096 3.488 . 0 0 "[ . 1]" 4
690 2 39 VAL HA 2 84 SER QB 3.688 . 5.388 3.340 3.095 3.488 . 0 0 "[ . 1]" 4
691 1 39 VAL HA 1 43 PHE H 3.665 . 5.344 4.789 4.716 4.871 . 0 0 "[ . 1]" 4
692 2 39 VAL HA 2 43 PHE H 3.665 . 5.344 4.789 4.716 4.872 . 0 0 "[ . 1]" 4
693 1 39 VAL HA 1 42 THR H 4.574 . 7.189 3.438 3.326 3.598 . 0 0 "[ . 1]" 4
694 2 39 VAL HA 2 42 THR H 4.574 . 7.189 3.438 3.325 3.601 . 0 0 "[ . 1]" 4
695 1 24 SER QB 1 66 GLU QG 3.388 . 4.823 3.629 2.242 4.399 . 0 0 "[ . 1]" 4
696 2 24 SER QB 2 66 GLU QG 3.388 . 4.823 3.630 2.241 4.398 . 0 0 "[ . 1]" 4
697 1 24 SER QB 1 66 GLU HB3 3.618 . 5.254 3.473 2.230 5.043 . 0 0 "[ . 1]" 4
698 2 24 SER QB 2 66 GLU HB3 3.618 . 5.254 3.473 2.234 5.042 . 0 0 "[ . 1]" 4
699 1 37 VAL HA 1 40 PHE H 3.837 . 5.677 3.644 3.420 3.954 . 0 0 "[ . 1]" 4
700 2 37 VAL HA 2 40 PHE H 3.837 . 5.677 3.645 3.419 3.951 . 0 0 "[ . 1]" 4
701 1 42 THR HA 1 44 GLU H 4.107 . 6.215 3.704 3.654 3.756 . 0 0 "[ . 1]" 4
702 2 42 THR HA 2 44 GLU H 4.107 . 6.215 3.705 3.653 3.758 . 0 0 "[ . 1]" 4
703 1 85 VAL MG1 1 89 SER QB 3.869 . 5.740 3.369 2.755 4.150 . 0 0 "[ . 1]" 4
704 2 85 VAL MG1 2 89 SER QB 3.869 . 5.740 3.370 2.756 4.150 . 0 0 "[ . 1]" 4
705 1 89 SER HA 1 89 SER QB 3.836 . 5.394 2.280 2.186 2.408 . 0 0 "[ . 1]" 4
706 2 89 SER HA 2 89 SER QB 3.836 . 5.394 2.279 2.186 2.408 . 0 0 "[ . 1]" 4
707 1 32 SER QB 1 35 ARG QB 3.174 . 4.434 3.634 2.814 4.208 . 0 0 "[ . 1]" 4
708 2 32 SER QB 2 35 ARG QB 3.174 . 4.434 3.634 2.812 4.208 . 0 0 "[ . 1]" 4
709 1 74 PRO HA 1 75 SER HA 3.279 . 4.623 4.388 4.368 4.404 . 0 0 "[ . 1]" 4
710 2 74 PRO HA 2 75 SER HA 3.279 . 4.623 4.388 4.368 4.404 . 0 0 "[ . 1]" 4
711 1 16 ASN QB 1 74 PRO HA 2.935 . 4.012 2.362 2.015 2.607 . 0 0 "[ . 1]" 4
712 2 16 ASN QB 2 74 PRO HA 2.935 . 4.012 2.361 2.016 2.606 . 0 0 "[ . 1]" 4
713 1 32 SER HA 1 32 SER QB 4.285 . 6.580 2.322 2.187 2.465 . 0 0 "[ . 1]" 4
714 2 32 SER HA 2 32 SER QB 4.285 . 6.580 2.322 2.185 2.465 . 0 0 "[ . 1]" 4
715 1 63 PRO HA 1 63 PRO HB2 2.390 . 3.104 2.971 2.809 3.006 . 0 0 "[ . 1]" 4
716 2 63 PRO HA 2 63 PRO HB2 2.390 . 3.104 2.971 2.810 3.008 . 0 0 "[ . 1]" 4
717 1 54 PRO HA 1 55 ALA MB 3.364 . 4.779 3.801 3.618 4.009 . 0 0 "[ . 1]" 4
718 2 54 PRO HA 2 55 ALA MB 3.364 . 4.779 3.800 3.621 4.010 . 0 0 "[ . 1]" 4
719 1 54 PRO HA 1 65 LEU MD1 2.877 . 3.912 1.917 1.700 2.305 0.142 9 0 "[ . 1]" 4
720 2 54 PRO HA 2 65 LEU MD1 2.877 . 3.912 1.917 1.701 2.306 0.141 9 0 "[ . 1]" 4
721 1 94 SER HA 1 95 ALA MB 3.132 . 4.358 3.894 3.797 3.961 . 0 0 "[ . 1]" 4
722 2 94 SER HA 2 95 ALA MB 3.132 . 4.358 3.893 3.798 3.959 . 0 0 "[ . 1]" 4
723 1 50 LEU H 1 69 VAL HA 3.646 . 5.308 4.708 4.499 4.929 . 0 0 "[ . 1]" 4
724 2 50 LEU H 2 69 VAL HA 3.646 . 5.308 4.708 4.498 4.929 . 0 0 "[ . 1]" 4
725 1 69 VAL HA 1 69 VAL MG2 2.541 . 3.348 2.562 2.504 2.599 . 0 0 "[ . 1]" 4
726 2 69 VAL HA 2 69 VAL MG2 2.541 . 3.348 2.562 2.504 2.598 . 0 0 "[ . 1]" 4
727 1 69 VAL HA 1 69 VAL HB 2.923 . 3.991 2.998 2.980 3.012 . 0 0 "[ . 1]" 4
728 2 69 VAL HA 2 69 VAL HB 2.923 . 3.991 2.998 2.980 3.010 . 0 0 "[ . 1]" 4
729 1 50 LEU HA 1 69 VAL HA 3.109 . 4.317 2.222 2.106 2.367 . 0 0 "[ . 1]" 4
730 2 50 LEU HA 2 69 VAL HA 3.109 . 4.317 2.222 2.105 2.366 . 0 0 "[ . 1]" 4
731 1 73 VAL HA 1 73 VAL HB 2.822 . 3.818 2.999 2.993 3.004 . 0 0 "[ . 1]" 4
732 2 73 VAL HA 2 73 VAL HB 2.822 . 3.818 2.999 2.992 3.004 . 0 0 "[ . 1]" 4
733 1 73 VAL HA 1 74 PRO HD3 2.769 . 3.728 2.450 2.431 2.480 . 0 0 "[ . 1]" 4
734 2 73 VAL HA 2 74 PRO HD3 2.769 . 3.728 2.450 2.428 2.479 . 0 0 "[ . 1]" 4
735 1 73 VAL HA 1 74 PRO HG2 3.182 . 4.448 4.475 4.462 4.493 0.045 8 0 "[ . 1]" 4
736 2 73 VAL HA 2 74 PRO HG2 3.182 . 4.448 4.474 4.462 4.493 0.045 8 0 "[ . 1]" 4
737 1 24 SER HA 1 25 LEU H 2.703 . 3.616 2.274 2.130 2.533 . 0 0 "[ . 1]" 4
738 2 24 SER HA 2 25 LEU H 2.703 . 3.616 2.274 2.128 2.533 . 0 0 "[ . 1]" 4
739 1 24 SER HA 1 67 TYR QD 3.830 . 5.664 4.783 4.449 5.019 . 0 0 "[ . 1]" 4
740 2 24 SER HA 2 67 TYR QD 3.830 . 5.664 4.783 4.450 5.018 . 0 0 "[ . 1]" 4
741 1 23 PHE HA 1 92 VAL MG1 2.668 . 3.558 2.160 1.548 3.539 0.230 4 0 "[ . 1]" 4
742 2 23 PHE HA 2 92 VAL MG1 2.668 . 3.558 2.160 1.549 3.540 0.229 4 0 "[ . 1]" 4
743 1 68 PHE H 1 68 PHE HA 2.913 . 3.974 2.895 2.815 2.923 . 0 0 "[ . 1]" 4
744 2 68 PHE H 2 68 PHE HA 2.913 . 3.974 2.895 2.813 2.924 . 0 0 "[ . 1]" 4
745 1 12 GLU HA 1 12 GLU HB3 2.575 . 3.404 2.384 2.166 2.450 . 0 0 "[ . 1]" 4
746 2 12 GLU HA 2 12 GLU HB3 2.575 . 3.404 2.384 2.165 2.451 . 0 0 "[ . 1]" 4
747 1 10 PHE HA 1 19 LEU HB2 3.971 . 5.942 3.302 2.967 4.908 . 0 0 "[ . 1]" 4
748 2 10 PHE HA 2 19 LEU HB2 3.971 . 5.942 3.302 2.968 4.908 . 0 0 "[ . 1]" 4
749 1 10 PHE HA 1 19 LEU HB3 3.486 . 5.005 2.480 2.064 4.389 . 0 0 "[ . 1]" 4
750 2 10 PHE HA 2 19 LEU HB3 3.486 . 5.005 2.480 2.065 4.386 . 0 0 "[ . 1]" 4
751 1 10 PHE HA 1 10 PHE QB 2.513 . 3.303 2.211 2.177 2.394 . 0 0 "[ . 1]" 4
752 2 10 PHE HA 2 10 PHE QB 2.513 . 3.303 2.210 2.177 2.393 . 0 0 "[ . 1]" 4
753 1 10 PHE HA 1 10 PHE QD 3.399 . 4.843 3.505 1.996 3.706 . 0 0 "[ . 1]" 4
754 2 10 PHE HA 2 10 PHE QD 3.399 . 4.843 3.505 1.996 3.705 . 0 0 "[ . 1]" 4
755 1 50 LEU HA 1 69 VAL MG1 2.560 . 3.379 1.882 1.742 2.308 . 0 0 "[ . 1]" 4
756 2 50 LEU HA 2 69 VAL MG1 2.560 . 3.379 1.881 1.738 2.308 0.003 8 0 "[ . 1]" 4
757 1 70 ARG HA 1 70 ARG QB 3.285 . 4.634 2.376 2.171 2.520 . 0 0 "[ . 1]" 4
758 2 70 ARG HA 2 70 ARG QB 3.285 . 4.634 2.376 2.171 2.521 . 0 0 "[ . 1]" 4
759 1 77 ASP HA 1 77 ASP HB3 2.462 . 3.220 2.524 2.454 2.923 . 0 0 "[ . 1]" 4
760 2 77 ASP HA 2 77 ASP HB3 2.462 . 3.220 2.524 2.452 2.923 . 0 0 "[ . 1]" 4
761 1 77 ASP HA 1 77 ASP HB2 2.614 . 3.468 3.002 2.774 3.028 . 0 0 "[ . 1]" 4
762 2 77 ASP HA 2 77 ASP HB2 2.614 . 3.468 3.001 2.773 3.027 . 0 0 "[ . 1]" 4
763 1 73 VAL MG1 1 77 ASP HA 3.811 . 5.626 3.949 3.864 3.991 . 0 0 "[ . 1]" 4
764 2 73 VAL MG1 2 77 ASP HA 3.811 . 5.626 3.949 3.862 3.990 . 0 0 "[ . 1]" 4
765 1 25 LEU HA 1 26 ARG H 2.435 . 3.176 2.553 2.140 2.847 . 0 0 "[ . 1]" 4
766 2 25 LEU HA 2 26 ARG H 2.435 . 3.176 2.553 2.141 2.848 . 0 0 "[ . 1]" 4
767 1 22 LEU HA 1 22 LEU HG 3.789 . 5.583 2.770 2.655 2.900 . 0 0 "[ . 1]" 4
768 2 22 LEU HA 2 22 LEU HG 3.789 . 5.583 2.770 2.656 2.901 . 0 0 "[ . 1]" 4
769 1 72 GLU H 1 72 GLU HA 2.566 . 3.389 2.946 2.936 2.952 . 0 0 "[ . 1]" 4
770 2 72 GLU H 2 72 GLU HA 2.566 . 3.389 2.945 2.936 2.952 . 0 0 "[ . 1]" 4
771 1 18 VAL HA 1 72 GLU HA 3.083 . 4.271 2.251 2.022 2.414 . 0 0 "[ . 1]" 4
772 2 18 VAL HA 2 72 GLU HA 3.083 . 4.271 2.251 2.023 2.411 . 0 0 "[ . 1]" 4
773 1 72 GLU HA 1 72 GLU HB2 2.979 . 4.088 2.247 2.230 2.271 . 0 0 "[ . 1]" 4
774 2 72 GLU HA 2 72 GLU HB2 2.979 . 4.088 2.246 2.230 2.272 . 0 0 "[ . 1]" 4
775 1 72 GLU HA 1 73 VAL MG2 3.700 . 5.411 3.372 3.330 3.387 . 0 0 "[ . 1]" 4
776 2 72 GLU HA 2 73 VAL MG2 3.700 . 5.411 3.373 3.332 3.388 . 0 0 "[ . 1]" 4
777 1 66 GLU HA 1 67 TYR H 2.268 . 2.911 2.452 2.146 2.776 . 0 0 "[ . 1]" 4
778 2 66 GLU HA 2 67 TYR H 2.268 . 2.911 2.452 2.145 2.775 . 0 0 "[ . 1]" 4
779 1 57 ARG HA 1 57 ARG HB2 2.417 . 3.147 2.939 2.815 3.017 . 0 0 "[ . 1]" 4
780 2 57 ARG HA 2 57 ARG HB2 2.417 . 3.147 2.940 2.817 3.017 . 0 0 "[ . 1]" 4
781 1 19 LEU QD 1 72 GLU HA 3.895 . 5.792 3.255 2.934 3.944 . 0 0 "[ . 1]" 4
782 2 19 LEU QD 2 72 GLU HA 3.895 . 5.792 3.255 2.933 3.944 . 0 0 "[ . 1]" 4
783 1 16 ASN HA 1 17 ALA MB 3.588 . 5.197 3.891 3.809 3.921 . 0 0 "[ . 1]" 4
784 2 16 ASN HA 2 17 ALA MB 3.588 . 5.197 3.890 3.809 3.921 . 0 0 "[ . 1]" 4
785 1 16 ASN HA 1 16 ASN QB 2.953 . 4.043 2.172 2.151 2.183 . 0 0 "[ . 1]" 4
786 2 16 ASN HA 2 16 ASN QB 2.953 . 4.043 2.172 2.151 2.184 . 0 0 "[ . 1]" 4
787 1 16 ASN HA 1 75 SER HA 3.049 . 4.211 3.673 3.506 3.841 . 0 0 "[ . 1]" 4
788 2 16 ASN HA 2 75 SER HA 3.049 . 4.211 3.673 3.507 3.843 . 0 0 "[ . 1]" 4
789 1 16 ASN HA 1 74 PRO HA 2.983 . 4.095 2.115 1.942 2.303 . 0 0 "[ . 1]" 4
790 2 16 ASN HA 2 74 PRO HA 2.983 . 4.095 2.115 1.943 2.302 . 0 0 "[ . 1]" 4
791 1 3 ASN HA 1 4 PRO QD 1.788 . 2.188 1.888 1.827 2.000 . 0 0 "[ . 1]" 4
792 2 3 ASN HA 2 4 PRO QD 1.788 . 2.188 1.888 1.827 2.001 . 0 0 "[ . 1]" 4
793 1 3 ASN HA 1 5 LEU H 3.998 . 5.996 3.979 3.740 4.366 . 0 0 "[ . 1]" 4
794 2 3 ASN HA 2 5 LEU H 3.998 . 5.996 3.979 3.742 4.366 . 0 0 "[ . 1]" 4
795 1 10 PHE QD 1 17 ALA HA 3.405 . 4.854 3.750 3.555 3.956 . 0 0 "[ . 1]" 4
796 2 10 PHE QD 2 17 ALA HA 3.405 . 4.854 3.751 3.556 3.955 . 0 0 "[ . 1]" 4
797 1 67 TYR QB 1 67 TYR QD 3.138 . 4.183 2.123 2.094 2.155 . 0 0 "[ . 1]" 4
798 2 67 TYR QB 2 67 TYR QD 3.138 . 4.183 2.123 2.094 2.154 . 0 0 "[ . 1]" 4
799 1 21 LEU HB2 1 71 PHE HE1 3.568 . 5.159 3.099 2.621 3.386 . 0 0 "[ . 1]" 4
800 2 21 LEU HB2 2 71 PHE HE1 3.568 . 5.159 3.099 2.622 3.388 . 0 0 "[ . 1]" 4
801 1 21 LEU H 1 21 LEU HB3 4.089 . 6.179 3.814 3.779 3.880 . 0 0 "[ . 1]" 4
802 2 21 LEU H 2 21 LEU HB3 4.089 . 6.179 3.814 3.779 3.880 . 0 0 "[ . 1]" 4
803 1 21 LEU HB3 1 71 PHE HE1 4.417 . 6.856 4.585 4.169 4.852 . 0 0 "[ . 1]" 4
804 2 21 LEU HB3 2 71 PHE HE1 4.417 . 6.856 4.585 4.171 4.852 . 0 0 "[ . 1]" 4
805 1 43 PHE HD2 1 81 LEU HA 4.472 . 6.972 3.288 3.143 3.358 . 0 0 "[ . 1]" 4
806 2 43 PHE HD2 2 81 LEU HA 4.472 . 6.972 3.288 3.144 3.357 . 0 0 "[ . 1]" 4
807 1 20 ASN H 1 95 ALA MB 3.631 . 5.279 4.347 4.188 4.486 . 0 0 "[ . 1]" 4
808 2 20 ASN H 2 95 ALA MB 3.631 . 5.279 4.347 4.187 4.485 . 0 0 "[ . 1]" 4
809 1 20 ASN HB3 1 95 ALA MB 2.677 . 3.573 2.598 1.710 2.987 0.071 2 0 "[ . 1]" 4
810 2 20 ASN HB3 2 95 ALA MB 2.677 . 3.573 2.598 1.709 2.986 0.072 2 0 "[ . 1]" 4
811 1 20 ASN HB2 1 95 ALA MB 2.511 . 3.299 1.854 1.683 2.418 0.040 7 0 "[ . 1]" 4
812 2 20 ASN HB2 2 95 ALA MB 2.511 . 3.299 1.854 1.682 2.416 0.041 7 0 "[ . 1]" 4
813 1 22 LEU HA 1 95 ALA MB 3.852 . 5.706 4.394 4.234 4.593 . 0 0 "[ . 1]" 4
814 2 22 LEU HA 2 95 ALA MB 3.852 . 5.706 4.394 4.236 4.592 . 0 0 "[ . 1]" 4
815 1 93 ARG HD3 1 93 ARG HG2 2.860 . 3.882 2.645 2.425 3.006 . 0 0 "[ . 1]" 4
816 2 93 ARG HD3 2 93 ARG HG2 2.860 . 3.882 2.644 2.425 3.006 . 0 0 "[ . 1]" 4
817 1 93 ARG HA 1 93 ARG HB2 2.575 . 3.404 2.451 2.418 2.484 . 0 0 "[ . 1]" 4
818 2 93 ARG HA 2 93 ARG HB2 2.575 . 3.404 2.451 2.417 2.484 . 0 0 "[ . 1]" 4
819 1 66 GLU HA 1 66 GLU HB3 2.240 . 2.867 2.459 2.255 2.832 . 0 0 "[ . 1]" 4
820 2 66 GLU HA 2 66 GLU HB3 2.240 . 2.867 2.460 2.257 2.834 . 0 0 "[ . 1]" 4
821 1 91 ASP H 1 91 ASP HB2 3.244 . 4.560 2.847 2.465 3.860 . 0 0 "[ . 1]" 4
822 2 91 ASP H 2 91 ASP HB2 3.244 . 4.560 2.847 2.464 3.860 . 0 0 "[ . 1]" 4
823 1 87 ARG H 1 87 ARG HG2 2.960 . 4.055 4.136 4.120 4.161 0.106 5 0 "[ . 1]" 4
824 2 87 ARG H 2 87 ARG HG2 2.960 . 4.055 4.137 4.122 4.161 0.106 5 0 "[ . 1]" 4
825 1 22 LEU HG 1 68 PHE QD 3.443 . 4.924 3.175 3.013 3.403 . 0 0 "[ . 1]" 4
826 2 22 LEU HG 2 68 PHE QD 3.443 . 4.924 3.175 3.012 3.403 . 0 0 "[ . 1]" 4
827 1 87 ARG HA 1 87 ARG HG3 2.341 . 3.026 2.609 2.524 2.677 . 0 0 "[ . 1]" 4
828 2 87 ARG HA 2 87 ARG HG3 2.341 . 3.026 2.609 2.525 2.678 . 0 0 "[ . 1]" 4
829 1 37 VAL HB 1 37 VAL QG 1.896 . 2.345 1.882 1.866 1.890 . 0 0 "[ . 1]" 4
830 2 37 VAL HB 2 37 VAL QG 1.896 . 2.345 1.881 1.866 1.891 . 0 0 "[ . 1]" 4
831 1 4 PRO HG3 1 5 LEU H 2.914 . 3.976 3.506 3.373 3.722 . 0 0 "[ . 1]" 4
832 2 4 PRO HG3 2 5 LEU H 2.914 . 3.976 3.506 3.371 3.723 . 0 0 "[ . 1]" 4
833 1 58 PRO HA 1 58 PRO HG3 2.711 . 3.630 3.939 3.525 4.096 0.466 10 0 "[ . 1]" 4
834 2 58 PRO HA 2 58 PRO HG3 2.711 . 3.630 3.939 3.525 4.096 0.466 10 0 "[ . 1]" 4
835 1 4 PRO HG2 1 5 LEU MD1 3.557 . 5.139 4.052 3.935 4.218 . 0 0 "[ . 1]" 4
836 2 4 PRO HG2 2 5 LEU MD1 3.557 . 5.139 4.052 3.934 4.216 . 0 0 "[ . 1]" 4
837 1 4 PRO QD 1 5 LEU HB2 3.872 . 5.746 4.285 4.214 4.383 . 0 0 "[ . 1]" 4
838 2 4 PRO QD 2 5 LEU HB2 3.872 . 5.746 4.284 4.213 4.384 . 0 0 "[ . 1]" 4
839 1 4 PRO HG2 1 5 LEU HB2 2.811 . 3.799 3.293 3.063 3.509 . 0 0 "[ . 1]" 4
840 2 4 PRO HG2 2 5 LEU HB2 2.811 . 3.799 3.292 3.063 3.509 . 0 0 "[ . 1]" 4
841 1 5 LEU HB2 1 5 LEU HG 2.030 . 2.545 2.553 2.536 2.584 0.039 7 0 "[ . 1]" 4
842 2 5 LEU HB2 2 5 LEU HG 2.030 . 2.545 2.553 2.535 2.585 0.040 7 0 "[ . 1]" 4
843 1 37 VAL QG 1 50 LEU HG 1.808 . 2.216 2.074 1.972 2.230 0.014 10 0 "[ . 1]" 4
844 2 37 VAL QG 2 50 LEU HG 1.808 . 2.216 2.074 1.972 2.230 0.014 10 0 "[ . 1]" 4
845 1 57 ARG HD3 1 57 ARG HG2 2.050 . 2.575 2.569 2.375 3.020 0.445 4 0 "[ . 1]" 4
846 2 57 ARG HD3 2 57 ARG HG2 2.050 . 2.575 2.569 2.374 3.019 0.444 4 0 "[ . 1]" 4
847 1 57 ARG HG2 1 58 PRO HD2 2.464 . 3.223 2.912 2.130 3.609 0.386 5 0 "[ . 1]" 4
848 2 57 ARG HG2 2 58 PRO HD2 2.464 . 3.223 2.911 2.129 3.609 0.386 5 0 "[ . 1]" 4
849 1 26 ARG HG3 1 27 GLY H 2.653 . 3.533 3.033 1.602 4.489 0.956 5 2 "[ -+ 1]" 4
850 2 26 ARG HG3 2 27 GLY H 2.653 . 3.533 3.031 1.601 4.488 0.955 5 2 "[ -+ 1]" 4
851 1 6 GLU HB3 1 7 ALA H 2.520 . 3.314 3.498 1.959 4.116 0.802 6 2 "[ -.+ 1]" 4
852 2 6 GLU HB3 2 7 ALA H 2.520 . 3.314 3.498 1.956 4.116 0.802 4 2 "[ +.- 1]" 4
853 1 9 VAL HA 1 10 PHE HA 3.737 . 5.483 4.586 4.463 4.674 . 0 0 "[ . 1]" 4
854 2 9 VAL HA 2 10 PHE HA 3.737 . 5.483 4.586 4.464 4.675 . 0 0 "[ . 1]" 4
855 1 73 VAL HA 1 73 VAL MG2 2.588 . 3.425 2.587 2.570 2.608 . 0 0 "[ . 1]" 4
856 2 73 VAL HA 2 73 VAL MG2 2.588 . 3.425 2.587 2.568 2.607 . 0 0 "[ . 1]" 4
857 1 46 LYS HA 1 46 LYS HE2 3.135 . 4.364 4.571 4.188 5.013 0.649 6 1 "[ .+ 1]" 4
858 2 46 LYS HA 2 46 LYS HE2 3.135 . 4.364 4.571 4.186 5.013 0.649 6 1 "[ .+ 1]" 4
859 1 9 VAL HB 1 10 PHE HA 3.296 . 4.654 4.347 4.174 4.579 . 0 0 "[ . 1]" 4
860 2 9 VAL HB 2 10 PHE HA 3.296 . 4.654 4.348 4.177 4.578 . 0 0 "[ . 1]" 4
861 1 10 PHE HA 1 11 GLU QB 3.175 . 4.435 4.062 3.875 4.165 . 0 0 "[ . 1]" 4
862 2 10 PHE HA 2 11 GLU QB 3.175 . 4.435 4.062 3.877 4.165 . 0 0 "[ . 1]" 4
863 1 11 GLU HG3 1 18 VAL H 3.368 . 4.786 3.628 2.723 5.109 0.323 2 0 "[ . 1]" 4
864 2 11 GLU HG3 2 18 VAL H 3.368 . 4.786 3.627 2.723 5.109 0.323 2 0 "[ . 1]" 4
865 1 12 GLU HA 1 13 ARG HA 3.943 . 5.886 4.376 4.327 4.616 . 0 0 "[ . 1]" 4
866 2 12 GLU HA 2 13 ARG HA 3.943 . 5.886 4.377 4.327 4.616 . 0 0 "[ . 1]" 4
867 1 12 GLU QG 1 17 ALA MB 3.150 . 4.074 2.264 1.832 2.956 0.078 2 0 "[ . 1]" 4
868 2 12 GLU QG 2 17 ALA MB 3.150 . 4.074 2.264 1.832 2.958 0.078 2 0 "[ . 1]" 4
869 1 12 GLU HB2 1 12 GLU QG 2.174 . 2.765 2.461 2.428 2.522 . 0 0 "[ . 1]" 4
870 2 12 GLU HB2 2 12 GLU QG 2.174 . 2.765 2.461 2.426 2.521 . 0 0 "[ . 1]" 4
871 1 11 GLU HA 1 12 GLU QG 3.095 . 4.292 3.440 3.118 3.658 . 0 0 "[ . 1]" 4
872 2 11 GLU HA 2 12 GLU QG 3.095 . 4.292 3.440 3.118 3.660 . 0 0 "[ . 1]" 4
873 1 12 GLU QG 1 17 ALA H 4.634 . 7.318 4.226 3.474 5.009 . 0 0 "[ . 1]" 4
874 2 12 GLU QG 2 17 ALA H 4.634 . 7.318 4.226 3.476 5.010 . 0 0 "[ . 1]" 4
875 1 13 ARG HA 1 13 ARG HD2 3.088 . 4.280 4.497 4.389 4.532 0.252 10 0 "[ . 1]" 4
876 2 13 ARG HA 2 13 ARG HD2 3.088 . 4.280 4.497 4.389 4.530 0.250 10 0 "[ . 1]" 4
877 1 13 ARG HA 1 13 ARG HG2 2.554 . 3.370 3.145 2.961 3.367 . 0 0 "[ . 1]" 4
878 2 13 ARG HA 2 13 ARG HG2 2.554 . 3.370 3.145 2.959 3.366 . 0 0 "[ . 1]" 4
879 1 13 ARG HA 1 13 ARG HB2 2.472 . 3.236 2.278 2.230 2.331 . 0 0 "[ . 1]" 4
880 2 13 ARG HA 2 13 ARG HB2 2.472 . 3.236 2.278 2.231 2.330 . 0 0 "[ . 1]" 4
881 1 12 GLU HA 1 13 ARG HB3 4.188 . 6.381 3.836 3.575 3.976 . 0 0 "[ . 1]" 4
882 2 12 GLU HA 2 13 ARG HB3 4.188 . 6.381 3.835 3.573 3.974 . 0 0 "[ . 1]" 4
883 1 12 GLU HA 1 13 ARG HB2 4.792 . 7.663 4.511 4.247 4.719 . 0 0 "[ . 1]" 4
884 2 12 GLU HA 2 13 ARG HB2 4.792 . 7.663 4.511 4.246 4.720 . 0 0 "[ . 1]" 4
885 1 13 ARG HB3 1 13 ARG HG2 2.116 . 2.676 2.622 2.527 2.684 0.008 10 0 "[ . 1]" 4
886 2 13 ARG HB3 2 13 ARG HG2 2.116 . 2.676 2.622 2.526 2.683 0.007 10 0 "[ . 1]" 4
887 1 13 ARG HB2 1 13 ARG HG2 2.251 . 2.884 2.951 2.928 2.983 0.099 7 0 "[ . 1]" 4
888 2 13 ARG HB2 2 13 ARG HG2 2.251 . 2.884 2.951 2.927 2.982 0.098 7 0 "[ . 1]" 4
889 1 13 ARG HB3 1 18 VAL MG2 2.488 . 3.262 2.078 1.685 2.284 0.029 8 0 "[ . 1]" 4
890 2 13 ARG HB3 2 18 VAL MG2 2.488 . 3.262 2.078 1.685 2.284 0.029 8 0 "[ . 1]" 4
891 1 13 ARG HD2 1 13 ARG HG2 2.325 . 3.001 2.940 2.876 2.970 . 0 0 "[ . 1]" 4
892 2 13 ARG HD2 2 13 ARG HG2 2.325 . 3.001 2.941 2.877 2.970 . 0 0 "[ . 1]" 4
893 1 13 ARG HD2 1 18 VAL MG2 2.147 . 2.723 1.735 1.600 1.869 . 0 0 "[ . 1]" 4
894 2 13 ARG HD2 2 18 VAL MG2 2.147 . 2.723 1.734 1.601 1.868 . 0 0 "[ . 1]" 4
895 1 14 ASP HA 1 16 ASN H 3.424 . 4.889 4.791 4.681 4.877 . 0 0 "[ . 1]" 4
896 2 14 ASP HA 2 16 ASN H 3.424 . 4.889 4.791 4.680 4.877 . 0 0 "[ . 1]" 4
897 1 59 LEU HA 1 59 LEU HB3 2.099 . 2.650 2.587 2.232 2.681 0.031 1 0 "[ . 1]" 4
898 2 59 LEU HA 2 59 LEU HB3 2.099 . 2.650 2.587 2.233 2.682 0.032 1 0 "[ . 1]" 4
899 1 14 ASP QB 1 16 ASN HD21 4.447 . 6.919 4.613 2.921 5.392 . 0 0 "[ . 1]" 4
900 2 14 ASP QB 2 16 ASN HD21 4.447 . 6.919 4.613 2.922 5.392 . 0 0 "[ . 1]" 4
901 1 13 ARG HB2 1 14 ASP QB 4.163 . 6.330 4.784 4.643 4.936 . 0 0 "[ . 1]" 4
902 2 13 ARG HB2 2 14 ASP QB 4.163 . 6.330 4.784 4.643 4.936 . 0 0 "[ . 1]" 4
903 1 16 ASN HA 1 74 PRO HB2 3.970 . 5.940 4.904 4.759 5.040 . 0 0 "[ . 1]" 4
904 2 16 ASN HA 2 74 PRO HB2 3.970 . 5.940 4.904 4.757 5.039 . 0 0 "[ . 1]" 4
905 1 11 GLU H 1 17 ALA MB 3.548 . 5.121 3.758 3.491 4.528 . 0 0 "[ . 1]" 4
906 2 11 GLU H 2 17 ALA MB 3.548 . 5.121 3.759 3.492 4.528 . 0 0 "[ . 1]" 4
907 1 18 VAL HB 1 19 LEU H 3.640 . 5.297 4.142 4.046 4.182 . 0 0 "[ . 1]" 4
908 2 18 VAL HB 2 19 LEU H 3.640 . 5.297 4.143 4.048 4.181 . 0 0 "[ . 1]" 4
909 1 18 VAL HA 1 18 VAL HB 2.658 . 3.541 3.019 3.010 3.022 . 0 0 "[ . 1]" 4
910 2 18 VAL HA 2 18 VAL HB 2.658 . 3.541 3.020 3.010 3.023 . 0 0 "[ . 1]" 4
911 1 19 LEU QD 1 95 ALA H 4.090 . 6.181 5.347 5.144 5.492 . 0 0 "[ . 1]" 4
912 2 19 LEU QD 2 95 ALA H 4.090 . 6.181 5.347 5.143 5.492 . 0 0 "[ . 1]" 4
913 1 20 ASN H 1 20 ASN HB2 4.189 . 6.383 3.390 2.584 3.738 . 0 0 "[ . 1]" 4
914 2 20 ASN H 2 20 ASN HB2 4.189 . 6.383 3.390 2.585 3.737 . 0 0 "[ . 1]" 4
915 1 21 LEU MD2 1 21 LEU HG 2.221 . 2.838 2.091 2.084 2.100 . 0 0 "[ . 1]" 4
916 2 21 LEU MD2 2 21 LEU HG 2.221 . 2.838 2.091 2.083 2.100 . 0 0 "[ . 1]" 4
917 1 21 LEU HG 1 71 PHE HE1 3.023 . 4.165 3.542 3.347 3.826 . 0 0 "[ . 1]" 4
918 2 21 LEU HG 2 71 PHE HE1 3.023 . 4.165 3.542 3.348 3.829 . 0 0 "[ . 1]" 4
919 1 22 LEU H 1 22 LEU HB2 3.504 . 5.039 2.616 2.498 2.729 . 0 0 "[ . 1]" 4
920 2 22 LEU H 2 22 LEU HB2 3.504 . 5.039 2.615 2.498 2.729 . 0 0 "[ . 1]" 4
921 1 22 LEU H 1 22 LEU HB3 3.354 . 4.760 3.713 3.670 3.759 . 0 0 "[ . 1]" 4
922 2 22 LEU H 2 22 LEU HB3 3.354 . 4.760 3.711 3.671 3.757 . 0 0 "[ . 1]" 4
923 1 5 LEU HA 1 5 LEU HG 2.621 . 3.479 3.593 3.571 3.608 0.129 9 0 "[ . 1]" 4
924 2 5 LEU HA 2 5 LEU HG 2.621 . 3.479 3.593 3.572 3.607 0.128 9 0 "[ . 1]" 4
925 1 22 LEU HG 1 69 VAL H 3.240 . 4.552 3.583 3.382 3.740 . 0 0 "[ . 1]" 4
926 2 22 LEU HG 2 69 VAL H 3.240 . 4.552 3.582 3.381 3.738 . 0 0 "[ . 1]" 4
927 1 22 LEU HA 1 22 LEU QD 2.528 . 3.327 2.632 2.592 2.720 . 0 0 "[ . 1]" 4
928 2 22 LEU HA 2 22 LEU QD 2.528 . 3.327 2.634 2.590 2.721 . 0 0 "[ . 1]" 4
929 1 23 PHE HA 1 23 PHE QD 3.281 . 4.626 2.381 1.774 3.133 0.162 10 0 "[ . 1]" 4
930 2 23 PHE HA 2 23 PHE QD 3.281 . 4.626 2.382 1.775 3.133 0.161 10 0 "[ . 1]" 4
931 1 23 PHE HB2 1 23 PHE QD 3.686 . 5.384 2.681 2.396 2.764 . 0 0 "[ . 1]" 4
932 2 23 PHE HB2 2 23 PHE QD 3.686 . 5.384 2.682 2.398 2.763 . 0 0 "[ . 1]" 4
933 1 23 PHE HB3 1 23 PHE QD 3.745 . 5.498 2.341 2.241 2.542 . 0 0 "[ . 1]" 4
934 2 23 PHE HB3 2 23 PHE QD 3.745 . 5.498 2.341 2.240 2.541 . 0 0 "[ . 1]" 4
935 1 23 PHE HB3 1 92 VAL MG2 3.751 . 5.509 3.316 2.548 3.578 . 0 0 "[ . 1]" 4
936 2 23 PHE HB3 2 92 VAL MG2 3.751 . 5.509 3.317 2.547 3.579 . 0 0 "[ . 1]" 4
937 1 24 SER HA 1 66 GLU HA 3.471 . 4.977 3.431 2.518 4.553 . 0 0 "[ . 1]" 4
938 2 24 SER HA 2 66 GLU HA 3.471 . 4.977 3.431 2.517 4.552 . 0 0 "[ . 1]" 4
939 1 24 SER HA 1 25 LEU MD1 2.970 . 4.073 3.354 2.391 3.914 . 0 0 "[ . 1]" 4
940 2 24 SER HA 2 25 LEU MD1 2.970 . 4.073 3.355 2.391 3.915 . 0 0 "[ . 1]" 4
941 1 85 VAL HB 1 86 ARG H 2.757 . 3.707 3.163 3.058 3.255 . 0 0 "[ . 1]" 4
942 2 85 VAL HB 2 86 ARG H 2.757 . 3.707 3.163 3.058 3.256 . 0 0 "[ . 1]" 4
943 1 50 LEU HA 1 50 LEU HG 2.885 . 3.926 3.884 3.851 3.907 . 0 0 "[ . 1]" 4
944 2 50 LEU HA 2 50 LEU HG 2.885 . 3.926 3.884 3.849 3.906 . 0 0 "[ . 1]" 4
945 1 67 TYR HA 1 69 VAL MG2 3.327 . 4.711 4.314 3.975 4.480 . 0 0 "[ . 1]" 4
946 2 67 TYR HA 2 69 VAL MG2 3.327 . 4.711 4.315 3.977 4.481 . 0 0 "[ . 1]" 4
947 1 31 SER HA 1 33 LEU HG 3.425 . 4.891 3.566 2.586 4.946 0.055 2 0 "[ . 1]" 4
948 2 31 SER HA 2 33 LEU HG 3.425 . 4.891 3.566 2.586 4.950 0.059 2 0 "[ . 1]" 4
949 1 83 SER HB2 1 85 VAL H 3.917 . 5.835 5.630 5.588 5.686 . 0 0 "[ . 1]" 4
950 2 83 SER HB2 2 85 VAL H 3.917 . 5.835 5.629 5.588 5.686 . 0 0 "[ . 1]" 4
951 1 82 LEU H 1 82 LEU HB3 2.994 . 4.115 3.442 3.430 3.456 . 0 0 "[ . 1]" 4
952 2 82 LEU H 2 82 LEU HB3 2.994 . 4.115 3.442 3.428 3.455 . 0 0 "[ . 1]" 4
953 1 33 LEU H 1 33 LEU QD 3.087 . 4.278 3.355 2.848 3.706 . 0 0 "[ . 1]" 4
954 2 33 LEU H 2 33 LEU QD 3.087 . 4.278 3.350 2.847 3.691 . 0 0 "[ . 1]" 4
955 1 34 SER HA 1 35 ARG H 3.719 . 5.448 3.518 3.421 3.560 . 0 0 "[ . 1]" 4
956 2 34 SER HA 2 35 ARG H 3.719 . 5.448 3.518 3.420 3.559 . 0 0 "[ . 1]" 4
957 1 33 LEU QD 1 34 SER HA 3.968 . 5.937 5.002 4.530 5.158 . 0 0 "[ . 1]" 4
958 2 33 LEU QD 2 34 SER HA 3.968 . 5.937 5.001 4.531 5.158 . 0 0 "[ . 1]" 4
959 1 33 LEU HB3 1 34 SER HA 3.953 . 5.907 4.438 4.157 4.736 . 0 0 "[ . 1]" 4
960 2 33 LEU HB3 2 34 SER HA 3.953 . 5.907 4.438 4.155 4.736 . 0 0 "[ . 1]" 4
961 1 35 ARG HA 1 39 VAL H 3.837 . 5.677 5.234 4.991 5.674 . 0 0 "[ . 1]" 4
962 2 35 ARG HA 2 39 VAL H 3.837 . 5.677 5.235 4.992 5.673 . 0 0 "[ . 1]" 4
963 1 35 ARG H 1 36 ALA HA 3.790 . 5.585 5.223 4.939 5.425 . 0 0 "[ . 1]" 4
964 2 35 ARG H 2 36 ALA HA 3.790 . 5.585 5.225 4.940 5.429 . 0 0 "[ . 1]" 4
965 1 46 LYS HA 1 46 LYS QG 2.696 . 3.604 3.047 2.657 3.141 . 0 0 "[ . 1]" 4
966 2 46 LYS HA 2 46 LYS QG 2.696 . 3.604 3.046 2.657 3.140 . 0 0 "[ . 1]" 4
967 1 35 ARG HA 1 38 LYS QG 3.500 . 5.032 2.018 1.573 4.186 0.395 9 0 "[ . 1]" 4
968 2 35 ARG HA 2 38 LYS QG 3.500 . 5.032 2.018 1.574 4.185 0.394 9 0 "[ . 1]" 4
969 1 38 LYS HA 1 38 LYS QG 3.005 . 4.134 2.808 2.264 2.943 . 0 0 "[ . 1]" 4
970 2 38 LYS HA 2 38 LYS QG 3.005 . 4.134 2.807 2.264 2.942 . 0 0 "[ . 1]" 4
971 1 37 VAL QG 1 38 LYS QG 2.570 . 3.395 2.959 2.346 3.271 . 0 0 "[ . 1]" 4
972 2 37 VAL QG 2 38 LYS QG 2.570 . 3.395 2.962 2.341 3.272 . 0 0 "[ . 1]" 4
973 1 38 LYS HB2 1 38 LYS QG 2.222 . 2.839 2.181 2.134 2.523 . 0 0 "[ . 1]" 4
974 2 38 LYS HB2 2 38 LYS QG 2.222 . 2.839 2.182 2.134 2.524 . 0 0 "[ . 1]" 4
975 1 46 LYS HA 1 46 LYS QD 2.707 . 3.623 2.091 1.991 2.536 . 0 0 "[ . 1]" 4
976 2 46 LYS HA 2 46 LYS QD 2.707 . 3.623 2.091 1.991 2.536 . 0 0 "[ . 1]" 4
977 1 38 LYS HD3 1 38 LYS QE 1.952 . 2.428 2.426 2.269 2.495 0.067 3 0 "[ . 1]" 4
978 2 38 LYS HD3 2 38 LYS QE 1.952 . 2.428 2.425 2.268 2.495 0.067 3 0 "[ . 1]" 4
979 1 46 LYS QD 1 46 LYS QG 2.314 . 2.983 2.072 2.023 2.090 . 0 0 "[ . 1]" 4
980 2 46 LYS QD 2 46 LYS QG 2.314 . 2.983 2.072 2.023 2.090 . 0 0 "[ . 1]" 4
981 1 38 LYS H 1 39 VAL MG1 3.581 . 5.184 5.648 5.607 5.735 0.551 10 2 "[ . - +]" 4
982 2 38 LYS H 2 39 VAL MG1 3.581 . 5.184 5.649 5.608 5.734 0.550 10 2 "[ . - +]" 4
983 1 17 ALA H 1 75 SER HB2 4.237 . 6.481 5.113 4.128 5.554 . 0 0 "[ . 1]" 4
984 2 17 ALA H 2 75 SER HB2 4.237 . 6.481 5.113 4.130 5.555 . 0 0 "[ . 1]" 4
985 1 75 SER HB2 1 76 GLY H 3.985 . 5.970 3.932 2.922 4.175 . 0 0 "[ . 1]" 4
986 2 75 SER HB2 2 76 GLY H 3.985 . 5.970 3.932 2.926 4.174 . 0 0 "[ . 1]" 4
987 1 40 PHE HA 1 40 PHE HD1 3.358 . 4.767 2.785 2.732 2.839 . 0 0 "[ . 1]" 4
988 2 40 PHE HA 2 40 PHE HD1 3.358 . 4.767 2.785 2.732 2.839 . 0 0 "[ . 1]" 4
989 1 40 PHE HB3 1 40 PHE HD2 3.643 . 5.302 3.404 3.385 3.451 . 0 0 "[ . 1]" 4
990 2 40 PHE HB3 2 40 PHE HD2 3.643 . 5.302 3.404 3.385 3.452 . 0 0 "[ . 1]" 4
991 1 43 PHE HA 1 80 ALA MB 6.396 . 11.510 5.490 5.376 5.542 . 0 0 "[ . 1]" 4
992 2 43 PHE HA 2 80 ALA MB 6.396 . 11.510 5.491 5.377 5.541 . 0 0 "[ . 1]" 4
993 1 43 PHE HA 1 81 LEU MD2 3.602 . 5.224 4.042 4.009 4.067 . 0 0 "[ . 1]" 4
994 2 43 PHE HA 2 81 LEU MD2 3.602 . 5.224 4.042 4.009 4.068 . 0 0 "[ . 1]" 4
995 1 42 THR MG 1 43 PHE HA 3.782 . 5.570 3.359 3.296 3.440 . 0 0 "[ . 1]" 4
996 2 42 THR MG 2 43 PHE HA 3.782 . 5.570 3.359 3.294 3.442 . 0 0 "[ . 1]" 4
997 1 44 GLU HA 1 45 ALA MB 3.756 . 5.519 4.498 4.480 4.515 . 0 0 "[ . 1]" 4
998 2 44 GLU HA 2 45 ALA MB 3.756 . 5.519 4.497 4.481 4.515 . 0 0 "[ . 1]" 4
999 1 44 GLU H 1 44 GLU HB2 3.705 . 5.421 3.521 3.368 3.643 . 0 0 "[ . 1]" 4
1000 2 44 GLU H 2 44 GLU HB2 3.705 . 5.421 3.521 3.369 3.644 . 0 0 "[ . 1]" 4
1001 1 44 GLU H 1 44 GLU HB3 3.423 . 4.887 3.976 3.909 4.050 . 0 0 "[ . 1]" 4
1002 2 44 GLU H 2 44 GLU HB3 3.423 . 4.887 3.976 3.908 4.049 . 0 0 "[ . 1]" 4
1003 1 59 LEU HA 1 59 LEU MD1 2.136 . 2.706 2.653 2.398 3.394 0.688 4 1 "[ +. 1]" 4
1004 2 59 LEU HA 2 59 LEU MD1 2.136 . 2.706 2.653 2.399 3.393 0.687 4 1 "[ +. 1]" 4
1005 1 46 LYS HE3 1 46 LYS QG 2.469 . 2.791 2.399 2.302 2.761 . 0 0 "[ . 1]" 4
1006 2 46 LYS HE3 2 46 LYS QG 2.469 . 2.791 2.399 2.301 2.760 . 0 0 "[ . 1]" 4
1007 1 47 ILE HA 1 48 HIS H 3.648 . 5.311 2.133 2.117 2.159 . 0 0 "[ . 1]" 4
1008 2 47 ILE HA 2 48 HIS H 3.648 . 5.311 2.133 2.116 2.160 . 0 0 "[ . 1]" 4
1009 1 47 ILE HA 1 71 PHE HB3 3.507 . 5.044 2.762 2.604 2.920 . 0 0 "[ . 1]" 4
1010 2 47 ILE HA 2 71 PHE HB3 3.507 . 5.044 2.762 2.603 2.919 . 0 0 "[ . 1]" 4
1011 1 46 LYS HA 1 47 ILE HB 3.438 . 4.916 4.998 4.986 5.016 0.100 2 0 "[ . 1]" 4
1012 2 46 LYS HA 2 47 ILE HB 3.438 . 4.916 4.998 4.984 5.016 0.100 2 0 "[ . 1]" 4
1013 1 82 LEU MD2 1 82 LEU HG 2.450 . 3.200 2.126 2.125 2.128 . 0 0 "[ . 1]" 4
1014 2 82 LEU MD2 2 82 LEU HG 2.450 . 3.200 2.126 2.125 2.128 . 0 0 "[ . 1]" 4
1015 1 47 ILE MD 1 47 ILE MG 2.193 . 2.794 2.084 2.026 2.140 . 0 0 "[ . 1]" 4
1016 2 47 ILE MD 2 47 ILE MG 2.193 . 2.794 2.084 2.025 2.138 . 0 0 "[ . 1]" 4
1017 1 48 HIS H 1 48 HIS QB 4.497 . 7.025 2.169 2.091 2.250 . 0 0 "[ . 1]" 4
1018 2 48 HIS H 2 48 HIS QB 4.497 . 7.025 2.170 2.092 2.250 . 0 0 "[ . 1]" 4
1019 1 48 HIS HA 1 48 HIS QB 2.862 . 3.886 2.371 2.183 2.455 . 0 0 "[ . 1]" 4
1020 2 48 HIS HA 2 48 HIS QB 2.862 . 3.886 2.371 2.184 2.455 . 0 0 "[ . 1]" 4
1021 1 48 HIS QB 1 70 ARG QB 4.382 . 6.783 2.161 1.875 2.681 0.106 3 0 "[ . 1]" 4
1022 2 48 HIS QB 2 70 ARG QB 4.382 . 6.783 2.161 1.875 2.681 0.106 3 0 "[ . 1]" 4
1023 1 49 HIS H 1 49 HIS HB3 3.755 . 5.518 3.214 3.005 3.884 . 0 0 "[ . 1]" 4
1024 2 49 HIS H 2 49 HIS HB3 3.755 . 5.518 3.214 3.005 3.885 . 0 0 "[ . 1]" 4
1025 1 49 HIS HB2 1 50 LEU H 4.674 . 7.405 4.537 4.476 4.600 . 0 0 "[ . 1]" 4
1026 2 49 HIS HB2 2 50 LEU H 4.674 . 7.405 4.536 4.477 4.600 . 0 0 "[ . 1]" 4
1027 1 49 HIS HB3 1 70 ARG QB 3.456 . 4.949 3.134 2.343 4.136 . 0 0 "[ . 1]" 4
1028 2 49 HIS HB3 2 70 ARG QB 3.456 . 4.949 3.134 2.343 4.136 . 0 0 "[ . 1]" 4
1029 1 49 HIS HB2 1 70 ARG QB 4.119 . 6.240 3.716 2.659 4.986 . 0 0 "[ . 1]" 4
1030 2 49 HIS HB2 2 70 ARG QB 4.119 . 6.240 3.716 2.659 4.987 . 0 0 "[ . 1]" 4
1031 1 21 LEU H 1 22 LEU HB3 4.168 . 6.340 6.432 6.328 6.516 0.176 10 0 "[ . 1]" 4
1032 2 21 LEU H 2 22 LEU HB3 4.168 . 6.340 6.429 6.327 6.491 0.151 10 0 "[ . 1]" 4
1033 1 50 LEU MD1 1 51 GLU HA 2.882 . 3.920 2.723 2.615 2.841 . 0 0 "[ . 1]" 4
1034 2 50 LEU MD1 2 51 GLU HA 2.882 . 3.920 2.723 2.612 2.842 . 0 0 "[ . 1]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 50 LEU 0.000 0.000 . 0 "[ . 1]"
2 50 LEU 0.000 0.000 . 0 "[ . 1]"
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 50 LEU HA 1 50 LEU MD1 2.630 . 3.495 3.397 3.353 3.454 . 0 0 "[ . 1]" 5
2 2 50 LEU HA 2 50 LEU MD1 2.630 . 3.495 3.397 3.353 3.453 . 0 0 "[ . 1]" 5
stop_
save_
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