NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482562 |
1q10   |
5875 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q10
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 2012
_Distance_constraint_stats_list.Viol_count 5257
_Distance_constraint_stats_list.Viol_total 7839.605
_Distance_constraint_stats_list.Viol_max 0.160
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0373
_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 1 MET 1.909 0.104 18 0 "[ . 1 . 2 . 3 . 4]"
1 2 GLN 1.102 0.066 2 0 "[ . 1 . 2 . 3 . 4]"
1 3 TYR 1.540 0.104 18 0 "[ . 1 . 2 . 3 . 4]"
1 4 LYS 0.229 0.049 32 0 "[ . 1 . 2 . 3 . 4]"
1 5 VAL 1.369 0.073 7 0 "[ . 1 . 2 . 3 . 4]"
1 6 ILE 1.480 0.070 37 0 "[ . 1 . 2 . 3 . 4]"
1 7 LEU 7.210 0.133 20 0 "[ . 1 . 2 . 3 . 4]"
1 8 ASN 7.547 0.120 8 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLY 0.973 0.105 20 0 "[ . 1 . 2 . 3 . 4]"
1 10 LYS 1.649 0.090 23 0 "[ . 1 . 2 . 3 . 4]"
1 11 THR 9.705 0.160 35 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 8.977 0.098 24 0 "[ . 1 . 2 . 3 . 4]"
1 13 LYS 2.349 0.048 4 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLY 0.519 0.032 30 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 1.154 0.152 18 0 "[ . 1 . 2 . 3 . 4]"
1 16 THR 4.951 0.152 18 0 "[ . 1 . 2 . 3 . 4]"
1 17 THR 1.861 0.134 18 0 "[ . 1 . 2 . 3 . 4]"
1 18 THR 8.994 0.158 35 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 1.089 0.066 2 0 "[ . 1 . 2 . 3 . 4]"
1 20 ALA 0.128 0.015 19 0 "[ . 1 . 2 . 3 . 4]"
1 21 VAL 1.294 0.043 6 0 "[ . 1 . 2 . 3 . 4]"
1 22 ASP 2.435 0.094 31 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 2.969 0.053 28 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 4.720 0.098 23 0 "[ . 1 . 2 . 3 . 4]"
1 25 THR 8.490 0.094 31 0 "[ . 1 . 2 . 3 . 4]"
1 26 ALA 2.462 0.054 36 0 "[ . 1 . 2 . 3 . 4]"
1 27 GLU 5.314 0.111 34 0 "[ . 1 . 2 . 3 . 4]"
1 28 LYS 3.601 0.084 28 0 "[ . 1 . 2 . 3 . 4]"
1 29 VAL 3.174 0.114 11 0 "[ . 1 . 2 . 3 . 4]"
1 30 VAL 3.887 0.094 29 0 "[ . 1 . 2 . 3 . 4]"
1 31 LYS 7.140 0.137 27 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLN 5.548 0.137 27 0 "[ . 1 . 2 . 3 . 4]"
1 33 PHE 9.955 0.133 20 0 "[ . 1 . 2 . 3 . 4]"
1 34 PHE 11.849 0.124 14 0 "[ . 1 . 2 . 3 . 4]"
1 35 ASN 7.389 0.112 24 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 5.575 0.106 11 0 "[ . 1 . 2 . 3 . 4]"
1 37 ASN 3.997 0.124 14 0 "[ . 1 . 2 . 3 . 4]"
1 38 GLY 2.333 0.090 14 0 "[ . 1 . 2 . 3 . 4]"
1 39 VAL 9.005 0.146 40 0 "[ . 1 . 2 . 3 . 4]"
1 40 ASP 4.822 0.146 40 0 "[ . 1 . 2 . 3 . 4]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 TRP 2.228 0.064 19 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 0.004 0.004 19 0 "[ . 1 . 2 . 3 . 4]"
1 45 TYR 0.163 0.020 16 0 "[ . 1 . 2 . 3 . 4]"
1 46 ASP 0.261 0.038 29 0 "[ . 1 . 2 . 3 . 4]"
1 47 ASP 0.030 0.014 36 0 "[ . 1 . 2 . 3 . 4]"
1 48 ALA 0.522 0.022 39 0 "[ . 1 . 2 . 3 . 4]"
1 49 THR 0.522 0.022 39 0 "[ . 1 . 2 . 3 . 4]"
1 50 LYS 3.291 0.104 14 0 "[ . 1 . 2 . 3 . 4]"
1 51 THR 0.659 0.041 34 0 "[ . 1 . 2 . 3 . 4]"
1 52 PHE 1.967 0.120 26 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 5.354 0.121 8 0 "[ . 1 . 2 . 3 . 4]"
1 54 VAL 1.203 0.062 34 0 "[ . 1 . 2 . 3 . 4]"
1 55 THR 2.017 0.089 10 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 2.706 0.106 20 0 "[ . 1 . 2 . 3 . 4]"
2 1 MET 1.940 0.105 18 0 "[ . 1 . 2 . 3 . 4]"
2 2 GLN 1.124 0.066 2 0 "[ . 1 . 2 . 3 . 4]"
2 3 TYR 1.477 0.105 18 0 "[ . 1 . 2 . 3 . 4]"
2 4 LYS 0.226 0.048 32 0 "[ . 1 . 2 . 3 . 4]"
2 5 VAL 1.369 0.073 7 0 "[ . 1 . 2 . 3 . 4]"
2 6 ILE 1.485 0.069 37 0 "[ . 1 . 2 . 3 . 4]"
2 7 LEU 7.221 0.131 20 0 "[ . 1 . 2 . 3 . 4]"
2 8 ASN 7.558 0.121 8 0 "[ . 1 . 2 . 3 . 4]"
2 9 GLY 0.972 0.106 20 0 "[ . 1 . 2 . 3 . 4]"
2 10 LYS 1.659 0.091 23 0 "[ . 1 . 2 . 3 . 4]"
2 11 THR 9.689 0.158 35 0 "[ . 1 . 2 . 3 . 4]"
2 12 LEU 8.974 0.099 24 0 "[ . 1 . 2 . 3 . 4]"
2 13 LYS 2.335 0.048 4 0 "[ . 1 . 2 . 3 . 4]"
2 14 GLY 0.522 0.033 30 0 "[ . 1 . 2 . 3 . 4]"
2 15 GLU 1.165 0.153 18 0 "[ . 1 . 2 . 3 . 4]"
2 16 THR 4.960 0.153 18 0 "[ . 1 . 2 . 3 . 4]"
2 17 THR 1.863 0.134 18 0 "[ . 1 . 2 . 3 . 4]"
2 18 THR 8.989 0.160 35 0 "[ . 1 . 2 . 3 . 4]"
2 19 GLU 1.091 0.066 2 0 "[ . 1 . 2 . 3 . 4]"
2 20 ALA 0.130 0.014 19 0 "[ . 1 . 2 . 3 . 4]"
2 21 VAL 1.297 0.043 6 0 "[ . 1 . 2 . 3 . 4]"
2 22 ASP 2.428 0.095 31 0 "[ . 1 . 2 . 3 . 4]"
2 23 ALA 2.974 0.052 5 0 "[ . 1 . 2 . 3 . 4]"
2 24 ALA 4.735 0.099 23 0 "[ . 1 . 2 . 3 . 4]"
2 25 THR 8.484 0.095 31 0 "[ . 1 . 2 . 3 . 4]"
2 26 ALA 2.460 0.054 36 0 "[ . 1 . 2 . 3 . 4]"
2 27 GLU 5.309 0.110 34 0 "[ . 1 . 2 . 3 . 4]"
2 28 LYS 3.608 0.084 28 0 "[ . 1 . 2 . 3 . 4]"
2 29 VAL 3.169 0.114 11 0 "[ . 1 . 2 . 3 . 4]"
2 30 VAL 3.898 0.094 29 0 "[ . 1 . 2 . 3 . 4]"
2 31 LYS 7.146 0.138 27 0 "[ . 1 . 2 . 3 . 4]"
2 32 GLN 5.545 0.138 27 0 "[ . 1 . 2 . 3 . 4]"
2 33 PHE 9.964 0.131 20 0 "[ . 1 . 2 . 3 . 4]"
2 34 PHE 11.824 0.124 7 0 "[ . 1 . 2 . 3 . 4]"
2 35 ASN 7.378 0.112 24 0 "[ . 1 . 2 . 3 . 4]"
2 36 ASP 5.588 0.107 11 0 "[ . 1 . 2 . 3 . 4]"
2 37 ASN 3.998 0.124 7 0 "[ . 1 . 2 . 3 . 4]"
2 38 GLY 2.346 0.092 14 0 "[ . 1 . 2 . 3 . 4]"
2 39 VAL 9.032 0.146 24 0 "[ . 1 . 2 . 3 . 4]"
2 40 ASP 4.832 0.146 24 0 "[ . 1 . 2 . 3 . 4]"
2 41 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 42 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 43 TRP 2.218 0.063 19 0 "[ . 1 . 2 . 3 . 4]"
2 44 THR 0.005 0.003 19 0 "[ . 1 . 2 . 3 . 4]"
2 45 TYR 0.164 0.020 16 0 "[ . 1 . 2 . 3 . 4]"
2 46 ASP 0.248 0.038 29 0 "[ . 1 . 2 . 3 . 4]"
2 47 ASP 0.028 0.013 36 0 "[ . 1 . 2 . 3 . 4]"
2 48 ALA 0.520 0.024 39 0 "[ . 1 . 2 . 3 . 4]"
2 49 THR 0.520 0.024 39 0 "[ . 1 . 2 . 3 . 4]"
2 50 LYS 3.264 0.103 14 0 "[ . 1 . 2 . 3 . 4]"
2 51 THR 0.661 0.041 34 0 "[ . 1 . 2 . 3 . 4]"
2 52 PHE 1.965 0.119 26 0 "[ . 1 . 2 . 3 . 4]"
2 53 THR 5.335 0.120 8 0 "[ . 1 . 2 . 3 . 4]"
2 54 VAL 1.206 0.061 34 0 "[ . 1 . 2 . 3 . 4]"
2 55 THR 2.014 0.089 10 0 "[ . 1 . 2 . 3 . 4]"
2 56 GLU 2.698 0.105 20 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET ME 4.000 . 5.500 3.944 1.848 4.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 1 MET HA 1 2 GLN H 2.500 . 2.900 2.317 2.151 2.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 1 MET QB 1 2 GLN H 4.000 . 5.000 3.227 1.828 3.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 1 MET QG 1 2 GLN H 4.000 . 5.000 2.856 1.782 4.607 0.018 29 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 1 MET ME 1 2 GLN H 4.000 . 5.500 3.645 1.798 4.687 0.002 19 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 1 MET HB3 1 3 TYR QE 3.000 . 3.800 2.455 1.969 3.904 0.104 18 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 1 MET HB2 1 3 TYR QE 3.000 . 3.800 3.452 2.075 3.869 0.069 19 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 1 MET HG3 1 3 TYR QE 4.000 . 5.500 3.921 1.844 5.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 1 MET HG2 1 3 TYR QE 4.000 . 5.500 3.825 2.405 5.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 1 MET ME 1 3 TYR QE 4.000 . 7.000 3.662 2.470 4.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 2 GLN H 1 2 GLN HA 3.000 . 3.500 2.935 2.920 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 2 GLN H 1 2 GLN QG 4.000 . 5.000 4.025 3.996 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 2 GLN HA 1 2 GLN QG 3.000 . 3.300 2.551 2.455 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 2 GLN H 1 2 GLN QB 3.000 . 3.300 2.374 2.308 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 2 GLN HA 1 3 TYR H 2.500 . 2.900 2.219 2.143 2.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 2 GLN QG 1 3 TYR H 3.000 . 3.500 2.517 2.103 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 2 GLN HB3 1 3 TYR H 4.000 . 5.000 4.027 3.776 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 2 GLN HB2 1 3 TYR H 4.000 . 5.000 4.094 3.921 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 2 GLN H 1 3 TYR H 4.000 . 5.000 4.499 4.456 4.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 2 GLN QG 1 17 THR HB 4.000 . 5.000 2.765 2.390 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 2 GLN QE 1 17 THR HB 4.000 . 6.500 3.553 1.919 5.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 2 GLN QG 1 17 THR MG 4.000 . 5.500 3.417 3.064 3.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 2 GLN QB 1 17 THR MG 4.000 . 5.500 5.069 4.733 5.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 2 GLN QE 1 17 THR MG 4.000 . 5.500 3.864 2.242 5.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 2 GLN QG 1 18 THR H 4.000 . 6.000 4.346 3.863 5.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 2 GLN HA 1 19 GLU HA 2.500 . 2.700 2.401 2.228 2.718 0.018 18 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 2 GLN QG 1 19 GLU HA 4.000 . 6.000 3.729 2.759 5.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 2 GLN QE 1 19 GLU QB 4.000 . 6.000 4.411 1.898 6.023 0.023 33 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 2 GLN H 1 19 GLU HA 4.000 . 5.000 5.020 4.923 5.066 0.066 2 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 2 GLN HA 1 20 ALA H 4.000 . 5.000 3.407 2.808 4.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 3 TYR HA 1 3 TYR QD 3.000 . 3.800 3.134 2.971 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 3 TYR H 1 3 TYR QB 3.000 . 3.500 2.604 2.495 2.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 3 TYR H 1 3 TYR QD 3.000 . 3.500 2.569 2.213 2.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 3 TYR HA 1 4 LYS H 2.500 . 2.900 2.244 2.197 2.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 3 TYR QB 1 4 LYS H 4.000 . 5.000 2.790 2.630 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 3 TYR QD 1 4 LYS H 4.000 . 5.500 4.101 3.849 4.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 3 TYR H 1 4 LYS H 4.000 . 6.000 4.440 4.420 4.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 3 TYR H 1 17 THR MG 4.000 . 5.500 4.711 4.468 4.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 3 TYR H 1 17 THR HA 4.000 . 5.000 4.470 4.256 4.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 3 TYR HA 1 18 THR MG 4.000 . 5.500 4.814 4.615 4.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 3 TYR QB 1 18 THR MG 3.000 . 3.800 2.361 2.122 2.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 3 TYR QD 1 18 THR MG 3.000 . 4.300 3.450 3.059 3.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 3 TYR H 1 18 THR MG 3.000 . 4.000 3.447 3.231 3.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 3 TYR H 1 18 THR H 3.000 . 3.500 3.500 3.326 3.538 0.038 18 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 3 TYR QB 1 18 THR H 4.000 . 5.000 3.381 2.953 3.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 3 TYR QD 1 19 GLU HA 4.000 . 5.500 3.448 2.760 3.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 3 TYR QE 1 19 GLU HA 4.000 . 5.500 4.819 3.881 5.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 3 TYR H 1 19 GLU HA 3.000 . 3.500 3.254 2.924 3.507 0.007 10 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 3 TYR QD 1 20 ALA MB 3.000 . 4.300 3.738 3.316 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 3 TYR QE 1 20 ALA MB 3.000 . 4.300 3.596 3.180 4.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 3 TYR QE 1 20 ALA H 4.000 . 5.500 3.224 2.381 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 3 TYR QD 1 20 ALA H 4.000 . 5.500 2.803 2.520 3.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 3 TYR QD 1 23 ALA HA 4.000 . 5.500 3.402 2.822 3.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 3 TYR QE 1 23 ALA HA 4.000 . 5.500 2.844 2.301 3.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 3 TYR QE 1 23 ALA MB 3.000 . 4.300 2.295 1.951 2.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 3 TYR QD 1 23 ALA MB 4.000 . 6.000 3.353 2.845 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 3 TYR QE 1 23 ALA H 4.000 . 5.500 3.359 2.846 3.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 3 TYR QD 1 23 ALA H 4.000 . 6.500 5.107 4.770 5.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 3 TYR QB 1 26 ALA MB 3.000 . 3.800 2.562 2.246 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 4 LYS HA 1 4 LYS QG 3.000 . 3.300 2.575 2.324 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 4 LYS HA 1 4 LYS QD 4.000 . 5.000 3.575 1.945 4.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 4 LYS QB 1 4 LYS QE 4.000 . 5.500 2.824 1.910 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 4 LYS H 1 4 LYS HA 3.000 . 3.500 2.939 2.923 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 4 LYS H 1 4 LYS QB 3.000 . 3.500 2.379 2.301 2.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 4 LYS H 1 4 LYS QG 4.000 . 5.000 4.031 3.971 4.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 4 LYS HA 1 5 VAL QG 4.000 . 5.500 3.745 3.272 3.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 4 LYS HA 1 5 VAL H 2.500 . 2.900 2.168 2.135 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 4 LYS QB 1 5 VAL H 4.000 . 5.000 3.889 3.415 3.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 4 LYS QG 1 5 VAL H 3.000 . 4.000 3.232 2.107 3.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 4 LYS H 1 5 VAL H 4.000 . 5.000 4.257 4.090 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 4 LYS QB 1 6 ILE MD 4.000 . 6.000 4.626 4.188 5.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 4 LYS QE 1 6 ILE MD 4.000 . 6.500 4.241 2.140 6.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 4 LYS HA 1 16 THR H 4.000 . 5.000 4.702 4.460 5.024 0.024 15 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 4 LYS HA 1 17 THR HA 3.000 . 3.300 2.404 1.922 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 4 LYS QG 1 17 THR HB 4.000 . 6.000 5.033 4.205 6.049 0.049 32 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 4 LYS QB 1 17 THR HA 4.000 . 6.500 4.394 3.828 4.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 4 LYS QG 1 17 THR HA 4.000 . 6.000 4.243 3.555 5.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 4 LYS HA 1 17 THR MG 3.000 . 3.800 1.988 1.925 2.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 4 LYS HA 1 18 THR H 4.000 . 5.000 3.888 3.317 4.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 4 LYS QB 1 18 THR H 4.000 . 6.500 5.612 5.112 6.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 5 VAL H 1 5 VAL QG 4.000 . 5.500 2.529 2.323 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 5 VAL H 1 5 VAL HB 3.000 . 3.500 2.557 2.500 2.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 5 VAL HA 1 6 ILE QG 4.000 . 6.000 3.730 3.505 3.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 5 VAL HA 1 6 ILE H 2.500 . 2.900 2.128 2.081 2.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 5 VAL QG 1 6 ILE H 3.000 . 4.000 2.544 2.128 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 5 VAL HA 1 6 ILE MD 4.000 . 6.500 5.088 4.929 5.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 5 VAL QG 1 7 LEU HG 4.000 . 5.500 3.468 2.805 3.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 5 VAL QG 1 7 LEU QD 3.000 . 4.300 1.887 1.785 2.675 0.015 7 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 5 VAL QG 1 7 LEU H 4.000 . 6.500 4.156 3.910 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 5 VAL H 1 15 GLU HA 4.000 . 6.000 5.359 4.481 5.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 5 VAL HB 1 16 THR HB 4.000 . 5.000 4.558 4.259 4.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 5 VAL QG 1 16 THR HB 4.000 . 5.500 4.691 4.395 4.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 5 VAL HB 1 16 THR HA 4.000 . 6.000 5.005 4.557 5.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 5 VAL HB 1 16 THR HG1 4.000 . 5.000 3.004 2.579 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 5 VAL QG 1 16 THR HG1 4.000 . 5.500 3.463 3.025 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 5 VAL QG 1 16 THR H 4.000 . 5.500 3.966 3.707 4.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 5 VAL H 1 16 THR H 3.000 . 3.500 3.431 2.544 3.573 0.073 7 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 5 VAL H 1 16 THR HG1 4.000 . 5.000 3.854 3.459 5.055 0.055 18 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 5 VAL H 1 17 THR MG 4.000 . 5.500 3.230 2.884 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 5 VAL H 1 17 THR HA 4.000 . 5.000 2.499 2.223 3.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 5 VAL HB 1 18 THR H 4.000 . 6.000 4.477 4.087 5.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 5 VAL HA 1 30 VAL QG 4.000 . 5.500 4.470 4.170 4.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 5 VAL HB 1 30 VAL QG 4.000 . 5.500 3.211 2.841 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 5 VAL QG 1 33 PHE QB 4.000 . 6.500 4.913 4.581 5.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 5 VAL QG 1 34 PHE QE 4.000 . 7.000 3.019 2.762 3.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 5 VAL QG 1 34 PHE HZ 4.000 . 6.500 3.412 3.070 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 6 ILE HA 1 6 ILE QG 3.000 . 3.300 2.358 2.264 2.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 6 ILE HA 1 6 ILE MD 4.000 . 5.500 3.802 3.706 3.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 6 ILE H 1 6 ILE HB 3.000 . 3.500 2.484 2.409 2.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 6 ILE H 1 6 ILE QG 3.000 . 3.500 2.657 2.405 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 6 ILE H 1 6 ILE MG 4.000 . 5.500 3.780 3.743 3.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 6 ILE HA 1 6 ILE MG 3.000 . 3.800 2.432 2.351 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 6 ILE H 1 6 ILE MD 4.000 . 6.500 3.912 3.765 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 6 ILE HB 1 6 ILE MD 3.000 . 3.800 2.397 2.302 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 6 ILE HA 1 7 LEU H 2.500 . 2.900 2.146 2.120 2.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 6 ILE HB 1 7 LEU H 4.000 . 5.000 4.262 4.088 4.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 6 ILE QG 1 7 LEU H 4.000 . 6.000 4.074 3.972 4.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 6 ILE HA 1 7 LEU QD 4.000 . 6.500 3.678 3.510 4.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 6 ILE MG 1 7 LEU H 3.000 . 4.000 2.580 2.352 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 6 ILE MD 1 7 LEU H 4.000 . 5.500 5.099 4.946 5.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 6 ILE H 1 7 LEU H 4.000 . 5.000 4.402 4.299 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 6 ILE MG 1 8 ASN QB 4.000 . 5.500 3.075 2.171 3.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 6 ILE MG 1 8 ASN HD21 4.000 . 5.500 3.291 2.402 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 6 ILE MG 1 8 ASN HA 4.000 . 5.500 3.806 3.573 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 6 ILE MG 1 8 ASN HD22 4.000 . 5.500 3.306 1.797 4.791 0.003 27 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 6 ILE HA 1 15 GLU QG 4.000 . 5.000 3.154 2.702 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 6 ILE HA 1 15 GLU HA 2.500 . 2.700 2.291 2.054 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 6 ILE MG 1 15 GLU HA 4.000 . 5.500 3.606 3.189 4.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 6 ILE MD 1 15 GLU HA 4.000 . 5.500 4.851 4.363 5.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 6 ILE MD 1 15 GLU QG 3.000 . 3.800 3.316 2.927 3.848 0.048 7 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 6 ILE HA 1 15 GLU QB 4.000 . 6.000 3.832 3.348 4.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 6 ILE HA 1 16 THR H 4.000 . 5.000 3.171 2.961 3.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 6 ILE MD 1 16 THR H 4.000 . 6.500 5.623 5.213 6.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 7 LEU H 1 7 LEU QB 3.000 . 3.500 2.652 2.299 2.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 7 LEU H 1 7 LEU HG 3.000 . 3.500 2.339 2.193 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 7 LEU HA 1 7 LEU HG 4.000 . 5.000 3.390 2.948 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 7 LEU HA 1 7 LEU QD 3.000 . 3.800 2.108 1.848 2.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 7 LEU H 1 7 LEU QD 4.000 . 5.500 2.935 2.761 3.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 7 LEU HA 1 8 ASN H 2.500 . 2.900 2.250 2.176 2.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 7 LEU QB 1 8 ASN H 4.000 . 5.000 3.726 3.564 3.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 7 LEU HG 1 8 ASN H 4.000 . 6.000 5.316 5.090 5.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 7 LEU QD 1 8 ASN H 4.000 . 5.500 3.937 3.683 4.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 7 LEU H 1 8 ASN H 4.000 . 5.000 3.975 3.820 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 7 LEU HB3 1 12 LEU QD 4.000 . 5.500 4.525 4.046 4.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 7 LEU HB2 1 12 LEU QD 4.000 . 5.500 4.304 4.133 4.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 7 LEU QD 1 12 LEU QD 3.000 . 4.300 3.836 3.708 4.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 7 LEU QB 1 13 LYS HA 4.000 . 5.000 4.131 3.955 4.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 7 LEU H 1 13 LYS HA 4.000 . 6.000 5.195 4.942 5.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 7 LEU QB 1 14 GLY QA 4.000 . 5.000 3.687 3.248 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 7 LEU QD 1 14 GLY QA 4.000 . 5.500 4.060 3.904 4.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 7 LEU QB 1 14 GLY H 3.000 . 3.500 3.486 3.367 3.532 0.032 30 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 7 LEU QD 1 14 GLY H 4.000 . 5.500 4.734 4.602 4.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 7 LEU QD 1 15 GLU HA 4.000 . 5.500 4.188 3.798 4.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 7 LEU HG 1 15 GLU HA 4.000 . 5.000 3.669 3.169 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 7 LEU QD 1 15 GLU H 4.000 . 5.500 4.663 4.330 4.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 7 LEU H 1 15 GLU HA 3.000 . 3.500 2.887 2.525 3.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 7 LEU QD 1 16 THR HB 4.000 . 5.500 3.209 2.911 3.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 7 LEU QD 1 16 THR HA 4.000 . 6.500 4.793 4.531 5.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 7 LEU QD 1 16 THR HG1 4.000 . 5.500 4.123 3.916 4.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 7 LEU QB 1 33 PHE QD 4.000 . 6.500 6.584 6.549 6.633 0.133 20 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 7 LEU QB 1 33 PHE QE 4.000 . 6.500 6.210 6.054 6.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 7 LEU QD 1 33 PHE QD 3.000 . 4.300 3.823 3.689 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 7 LEU QD 1 33 PHE QE 3.000 . 4.300 3.401 3.270 3.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 7 LEU QB 1 34 PHE QE 4.000 . 5.500 4.298 4.215 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 7 LEU QB 1 34 PHE HZ 4.000 . 5.000 3.889 3.661 4.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 7 LEU HG 1 34 PHE QE 4.000 . 5.500 4.640 3.924 4.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 7 LEU QD 1 34 PHE QE 3.000 . 4.300 2.145 1.883 2.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 7 LEU QD 1 34 PHE HZ 3.000 . 3.800 1.722 1.697 1.774 0.103 29 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 7 LEU QD 1 34 PHE QD 4.000 . 6.000 3.666 3.347 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 8 ASN H 1 8 ASN QB 3.000 . 3.500 2.384 2.277 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 8 ASN H 1 8 ASN QD 4.000 . 6.000 4.121 2.944 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 8 ASN HA 1 8 ASN QD 4.000 . 6.000 3.190 1.792 3.975 0.008 8 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 8 ASN HA 1 9 GLY H 2.500 . 2.900 2.174 2.145 2.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 8 ASN QB 1 9 GLY H 4.000 . 5.000 3.697 3.467 3.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 8 ASN H 1 9 GLY H 4.000 . 5.000 4.283 4.173 4.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 8 ASN HA 1 12 LEU QD 4.000 . 5.500 5.557 5.499 5.598 0.098 24 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 8 ASN HA 1 13 LYS HA 4.000 . 5.000 2.713 2.550 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 8 ASN HA 1 13 LYS QD 4.000 . 5.000 4.433 2.170 5.040 0.040 26 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 8 ASN HA 1 13 LYS QG 4.000 . 5.000 3.034 2.525 4.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 8 ASN QD 1 13 LYS HA 4.000 . 6.000 4.902 3.123 6.025 0.025 40 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 8 ASN HA 1 14 GLY H 4.000 . 5.000 3.515 3.232 3.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 9 GLY QA 1 10 LYS H 2.500 . 2.900 2.249 2.174 2.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 9 GLY H 1 10 LYS H 4.000 . 5.000 4.381 4.331 4.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 9 GLY QA 1 11 THR H 4.000 . 5.000 3.836 3.672 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 9 GLY H 1 11 THR H 4.000 . 6.000 5.508 5.258 5.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 9 GLY QA 1 12 LEU H 3.000 . 3.500 3.064 2.835 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 9 GLY QA 1 12 LEU HG 4.000 . 5.000 4.580 4.360 4.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 9 GLY H 1 12 LEU QB 4.000 . 5.500 4.073 3.884 4.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 9 GLY QA 1 12 LEU QD 4.000 . 5.500 4.383 4.241 4.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 9 GLY H 1 12 LEU QD 4.000 . 5.500 4.688 4.595 4.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 9 GLY H 1 12 LEU H 4.000 . 5.000 3.831 3.589 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 9 GLY H 1 13 LYS HA 3.000 . 3.500 2.711 2.417 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 9 GLY H 1 13 LYS QD 4.000 . 5.000 4.255 2.082 5.006 0.006 11 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 9 GLY H 1 13 LYS QG 4.000 . 5.000 2.693 2.201 4.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 10 LYS HA 1 10 LYS QG 3.000 . 3.300 2.544 2.391 3.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 10 LYS H 1 10 LYS QB 3.000 . 3.500 2.415 2.266 2.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 10 LYS HA 1 10 LYS QD 4.000 . 6.000 3.459 1.954 4.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 10 LYS H 1 10 LYS QD 4.000 . 6.000 3.590 1.811 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 10 LYS H 1 10 LYS QG 4.000 . 5.000 2.486 1.941 3.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 10 LYS QG 1 11 THR HA 4.000 . 6.000 5.813 5.748 5.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 10 LYS HA 1 11 THR H 4.000 . 5.000 3.566 3.545 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 10 LYS HA 1 11 THR MG 4.000 . 5.500 4.696 4.358 4.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 10 LYS QB 1 11 THR MG 4.000 . 5.500 3.036 2.860 3.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 10 LYS QB 1 11 THR H 3.000 . 3.500 2.251 2.121 2.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 10 LYS H 1 11 THR H 3.000 . 3.500 2.657 2.439 3.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 10 LYS QG 1 11 THR H 4.000 . 5.000 3.983 3.608 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 10 LYS HA 1 12 LEU H 4.000 . 5.000 4.252 4.176 4.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 10 LYS QB 1 12 LEU H 4.000 . 5.000 4.102 3.992 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 10 LYS H 1 12 LEU H 4.000 . 5.000 3.348 3.068 3.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 11 THR HA 1 11 THR MG 2.500 . 3.200 2.234 2.137 2.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 11 THR H 1 11 THR MG 3.000 . 4.000 2.985 2.851 3.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 11 THR HB 1 12 LEU H 4.000 . 6.000 4.161 4.022 4.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 11 THR HA 1 12 LEU H 3.000 . 3.500 3.243 3.091 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 11 THR MG 1 12 LEU H 4.000 . 6.500 4.360 4.287 4.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 11 THR H 1 12 LEU H 2.500 . 2.900 2.287 2.228 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 11 THR H 1 12 LEU QD 4.000 . 5.500 5.113 4.897 5.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 12 LEU HA 1 12 LEU QD 4.000 . 5.500 1.899 1.842 1.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 12 LEU H 1 12 LEU QB 3.000 . 4.000 2.596 2.548 2.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 12 LEU HA 1 12 LEU HG 4.000 . 5.000 3.295 3.251 3.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 12 LEU H 1 12 LEU HG 4.000 . 5.000 4.490 4.459 4.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 12 LEU HA 1 13 LYS H 2.500 . 2.900 2.167 2.131 2.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 12 LEU QD 1 13 LYS HA 4.000 . 5.500 3.761 3.622 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 12 LEU QB 1 13 LYS H 3.000 . 4.000 3.626 3.597 3.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 12 LEU HG 1 13 LYS H 4.000 . 6.000 3.045 2.925 3.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 12 LEU MD1 1 13 LYS H 4.000 . 5.500 1.918 1.829 2.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 12 LEU MD2 1 13 LYS H 4.000 . 5.500 4.261 4.202 4.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 12 LEU H 1 13 LYS H 4.000 . 5.000 4.324 4.310 4.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 12 LEU QD 1 14 GLY H 4.000 . 5.500 4.528 4.305 4.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 12 LEU QD 1 34 PHE QD 4.000 . 7.000 6.262 6.096 6.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 12 LEU QD 1 34 PHE QE 4.000 . 6.000 5.511 5.427 5.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 12 LEU QD 1 34 PHE HZ 4.000 . 6.500 6.478 6.303 6.541 0.041 31 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 13 LYS HA 1 13 LYS QG 3.000 . 3.300 2.501 2.420 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 13 LYS H 1 13 LYS QB 3.000 . 3.500 2.797 2.673 2.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 13 LYS HA 1 13 LYS QD 4.000 . 5.000 3.782 2.060 4.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 13 LYS H 1 13 LYS QG 3.000 . 3.500 3.205 2.844 3.548 0.048 4 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 13 LYS HA 1 14 GLY H 2.500 . 2.900 2.269 2.216 2.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 13 LYS QB 1 14 GLY H 3.000 . 3.500 2.851 2.767 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 13 LYS QG 1 14 GLY H 4.000 . 5.000 4.135 3.998 4.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 14 GLY QA 1 15 GLU H 2.500 . 2.900 2.248 2.223 2.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 15 GLU H 1 15 GLU QG 4.000 . 5.000 3.334 3.022 3.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 15 GLU H 1 15 GLU QB 3.000 . 3.500 2.767 2.682 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 15 GLU HA 1 16 THR H 2.500 . 2.900 2.211 2.154 2.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 15 GLU HA 1 16 THR HG1 4.000 . 6.000 6.028 6.006 6.152 0.152 18 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 15 GLU QG 1 16 THR H 4.000 . 5.000 4.067 3.927 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 15 GLU QB 1 16 THR H 3.000 . 3.500 2.881 2.553 3.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 15 GLU H 1 16 THR H 4.000 . 5.000 4.309 4.213 4.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 16 THR H 1 16 THR HB 4.000 . 5.000 3.511 3.308 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 16 THR HA 1 16 THR MG 3.000 . 3.800 3.189 3.181 3.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 16 THR HA 1 16 THR HG1 4.000 . 5.000 3.238 2.374 3.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 16 THR H 1 16 THR MG 3.000 . 4.000 2.215 1.958 2.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 16 THR H 1 16 THR HG1 4.000 . 5.000 4.031 3.971 4.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 16 THR HB 1 17 THR H 3.000 . 3.500 3.513 3.492 3.634 0.134 18 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 16 THR HA 1 17 THR H 2.500 . 2.900 2.481 2.446 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 16 THR MG 1 17 THR H 3.000 . 4.000 3.753 3.502 3.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 16 THR HG1 1 17 THR H 4.000 . 5.000 2.306 1.772 2.420 0.028 18 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 16 THR MG 1 30 VAL QG 3.000 . 4.300 3.321 3.001 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 16 THR MG 1 34 PHE QE 4.000 . 6.000 3.752 3.577 4.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 16 THR MG 1 34 PHE HZ 4.000 . 5.500 2.838 2.547 3.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 17 THR H 1 17 THR HB 4.000 . 5.000 3.865 3.845 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 17 THR HA 1 17 THR MG 2.500 . 3.200 2.374 2.263 2.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 17 THR H 1 17 THR MG 3.000 . 4.000 3.103 3.046 3.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 17 THR HB 1 18 THR H 3.000 . 3.500 3.425 3.322 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 17 THR HA 1 18 THR MG 4.000 . 5.500 3.859 3.764 3.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 17 THR HA 1 18 THR H 2.500 . 2.900 2.116 2.094 2.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 17 THR MG 1 18 THR H 3.000 . 4.000 4.010 3.971 4.045 0.045 32 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 17 THR HA 1 30 VAL QG 4.000 . 5.500 5.006 4.703 5.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 18 THR H 1 18 THR HB 3.000 . 3.500 2.907 2.856 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 18 THR H 1 18 THR MG 3.000 . 4.000 2.205 2.067 2.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 18 THR HB 1 19 GLU H 4.000 . 5.000 4.096 4.046 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 18 THR HA 1 19 GLU H 2.500 . 2.900 2.255 2.205 2.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 18 THR HA 1 19 GLU QB 4.000 . 5.000 4.039 4.014 4.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 18 THR MG 1 19 GLU HA 4.000 . 5.500 3.940 3.861 4.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 18 THR MG 1 19 GLU H 3.000 . 4.000 3.721 3.658 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 18 THR H 1 19 GLU H 4.000 . 5.000 4.506 4.490 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 18 THR HG1 1 19 GLU H 3.000 . 3.500 2.672 2.453 2.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 18 THR MG 1 20 ALA H 4.000 . 5.500 4.068 3.838 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 18 THR MG 1 20 ALA MB 4.000 . 6.000 3.173 2.834 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 18 THR MG 1 26 ALA HA 3.000 . 3.800 2.529 2.181 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 18 THR HG1 1 29 VAL QG 4.000 . 5.500 2.122 1.871 2.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 18 THR HB 1 30 VAL QG 3.000 . 3.800 2.587 2.287 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 18 THR H 1 30 VAL QG 4.000 . 5.500 4.053 3.687 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 19 GLU H 1 19 GLU QG 4.000 . 5.000 4.058 3.967 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 19 GLU H 1 19 GLU QB 3.000 . 3.500 2.379 2.290 2.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 19 GLU HA 1 20 ALA MB 4.000 . 5.500 3.998 3.934 4.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 19 GLU HA 1 20 ALA H 2.500 . 2.900 2.182 2.159 2.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 19 GLU QG 1 20 ALA H 4.000 . 5.000 3.280 2.963 3.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 19 GLU QB 1 20 ALA H 4.000 . 5.000 3.899 3.838 3.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 19 GLU H 1 20 ALA H 4.000 . 5.000 4.329 4.263 4.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 20 ALA H 1 20 ALA MB 3.000 . 4.000 2.680 2.581 2.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 20 ALA MB 1 21 VAL HA 4.000 . 5.500 4.473 4.415 4.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 20 ALA HA 1 21 VAL H 2.500 . 2.900 2.235 2.209 2.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 20 ALA MB 1 21 VAL H 3.000 . 3.500 2.702 2.601 2.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 20 ALA H 1 21 VAL H 4.000 . 5.000 4.353 4.329 4.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 20 ALA MB 1 22 ASP H 3.000 . 4.000 2.583 2.280 2.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 20 ALA H 1 22 ASP H 4.000 . 5.000 4.767 4.530 5.011 0.011 6 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 20 ALA MB 1 25 THR HB 3.000 . 3.800 2.215 1.945 2.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 20 ALA MB 1 25 THR H 4.000 . 5.500 3.946 3.798 4.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 20 ALA MB 1 26 ALA HA 3.000 . 3.800 1.895 1.818 2.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 20 ALA MB 1 26 ALA MB 3.000 . 3.800 2.096 1.899 2.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 20 ALA MB 1 26 ALA H 3.000 . 4.000 2.229 2.122 2.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 21 VAL HA 1 21 VAL QG 3.000 . 4.000 2.107 2.038 2.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 21 VAL H 1 21 VAL HB 3.000 . 3.500 2.735 2.711 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 21 VAL H 1 21 VAL QG 3.000 . 4.000 1.957 1.926 2.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 21 VAL HA 1 22 ASP H 4.000 . 5.000 3.490 3.462 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 21 VAL HB 1 22 ASP H 3.000 . 3.500 2.863 2.666 3.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 21 VAL QG 1 22 ASP H 2.500 . 3.400 3.375 3.291 3.440 0.040 31 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 21 VAL H 1 22 ASP H 2.500 . 2.900 2.848 2.815 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 21 VAL QG 1 25 THR HB 3.000 . 3.800 3.824 3.809 3.843 0.043 6 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 22 ASP H 1 22 ASP QB 3.000 . 3.500 3.231 3.136 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 22 ASP QB 1 23 ALA H 3.000 . 3.500 2.187 2.099 2.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 22 ASP HA 1 23 ALA H 3.000 . 3.500 2.516 2.444 2.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 22 ASP H 1 23 ALA H 4.000 . 5.000 4.414 4.392 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 22 ASP HA 1 24 ALA H 4.000 . 5.000 4.557 4.441 4.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 22 ASP H 1 24 ALA H 4.000 . 5.000 4.991 4.865 5.025 0.025 7 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 22 ASP QB 1 24 ALA H 3.000 . 3.500 3.049 2.764 3.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 22 ASP H 1 25 THR HB 3.000 . 3.500 3.516 3.466 3.567 0.067 19 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 22 ASP H 1 25 THR MG 3.000 . 3.500 2.943 2.730 3.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 22 ASP QB 1 25 THR H 4.000 . 5.000 3.776 3.461 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 22 ASP H 1 25 THR H 4.000 . 5.000 3.653 3.508 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 22 ASP H 1 25 THR HA 4.000 . 5.000 5.028 4.987 5.094 0.094 31 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 23 ALA H 1 23 ALA MB 3.000 . 4.000 2.103 2.019 2.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 23 ALA MB 1 24 ALA HA 4.000 . 5.500 3.755 3.696 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 23 ALA HA 1 24 ALA MB 4.000 . 5.500 5.020 5.008 5.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 23 ALA H 1 24 ALA MB 4.000 . 5.500 4.387 4.334 4.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 23 ALA MB 1 24 ALA H 2.500 . 3.400 2.629 2.512 2.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 23 ALA HA 1 24 ALA H 3.000 . 3.500 3.535 3.524 3.539 0.039 5 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 23 ALA HA 1 26 ALA H 3.000 . 3.500 3.538 3.522 3.553 0.053 28 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 23 ALA HA 1 26 ALA MB 2.500 . 3.200 2.381 2.199 2.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 24 ALA H 1 24 ALA MB 3.000 . 4.000 2.134 2.044 2.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 24 ALA HA 1 25 THR H 4.000 . 5.000 3.578 3.568 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 24 ALA MB 1 25 THR H 3.000 . 4.000 2.384 2.222 2.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 24 ALA H 1 25 THR H 2.500 . 2.900 2.787 2.760 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 24 ALA H 1 26 ALA H 4.000 . 5.000 3.992 3.893 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 24 ALA HA 1 27 GLU H 3.000 . 3.500 3.301 3.220 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 24 ALA HA 1 27 GLU QB 3.000 . 3.300 2.343 2.236 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 24 ALA HA 1 27 GLU HA 4.000 . 5.000 5.077 5.058 5.098 0.098 23 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 24 ALA MB 1 27 GLU H 4.000 . 5.500 4.497 4.427 4.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 24 ALA HA 1 28 LYS H 4.000 . 5.000 3.805 3.683 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 25 THR HA 1 25 THR MG 2.500 . 2.700 2.410 2.307 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 25 THR H 1 25 THR MG 4.000 . 5.500 2.206 2.067 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 25 THR H 1 25 THR HB 3.000 . 3.500 3.571 3.564 3.582 0.082 30 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 25 THR H 1 26 ALA HA 4.000 . 6.000 5.351 5.306 5.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 25 THR HB 1 26 ALA H 3.000 . 3.500 3.521 3.463 3.554 0.054 36 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 25 THR HA 1 26 ALA H 4.000 . 5.000 3.541 3.527 3.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 25 THR MG 1 26 ALA H 4.000 . 5.500 3.879 3.800 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 25 THR H 1 26 ALA MB 4.000 . 5.500 4.349 4.273 4.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 25 THR HB 1 26 ALA MB 4.000 . 6.500 4.757 4.687 4.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 25 THR H 1 26 ALA H 2.500 . 2.900 2.758 2.703 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 25 THR HA 1 28 LYS QE 4.000 . 6.000 5.359 5.022 5.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 25 THR HA 1 28 LYS QD 4.000 . 5.000 4.884 3.658 5.059 0.059 25 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 25 THR HA 1 28 LYS H 3.000 . 3.500 3.507 3.410 3.541 0.041 39 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 25 THR HA 1 28 LYS QB 2.500 . 2.700 2.658 2.538 2.719 0.019 27 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 25 THR H 1 28 LYS QB 4.000 . 5.000 4.922 4.773 5.013 0.013 33 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 26 ALA H 1 26 ALA MB 3.000 . 4.000 2.125 2.032 2.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 26 ALA H 1 27 GLU H 3.000 . 3.500 2.753 2.709 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 26 ALA MB 1 27 GLU H 2.500 . 3.400 2.410 2.254 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 26 ALA HA 1 27 GLU H 4.000 . 5.000 3.575 3.564 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 26 ALA H 1 28 LYS H 4.000 . 5.000 4.149 4.070 4.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 26 ALA HA 1 29 VAL H 3.000 . 3.500 3.431 3.330 3.507 0.007 27 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 26 ALA HA 1 29 VAL HB 3.000 . 3.300 2.592 2.408 2.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 26 ALA HA 1 30 VAL H 4.000 . 6.000 4.111 3.731 4.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 26 ALA HA 1 30 VAL QG 4.000 . 5.500 3.771 3.345 4.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 27 GLU HA 1 27 GLU QG 3.000 . 3.300 2.559 2.366 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 27 GLU H 1 27 GLU QB 3.000 . 3.500 2.225 2.177 2.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 27 GLU H 1 27 GLU QG 4.000 . 5.000 3.969 3.928 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 27 GLU HA 1 28 LYS H 4.000 . 5.000 3.554 3.541 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 27 GLU H 1 28 LYS QB 4.000 . 5.000 4.816 4.661 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 27 GLU QB 1 28 LYS H 3.000 . 3.500 2.418 2.337 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 27 GLU QG 1 28 LYS H 4.000 . 5.000 3.587 3.248 4.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 27 GLU H 1 28 LYS H 2.500 . 2.900 2.852 2.751 2.915 0.015 27 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 27 GLU H 1 29 VAL H 4.000 . 5.000 4.223 4.121 4.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 27 GLU HA 1 29 VAL H 4.000 . 6.000 4.558 4.299 4.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 27 GLU HA 1 30 VAL H 4.000 . 5.000 3.548 3.384 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 27 GLU HA 1 30 VAL QG 4.000 . 5.500 2.534 2.024 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 27 GLU HA 1 30 VAL HB 4.000 . 5.000 3.024 2.768 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 27 GLU QG 1 30 VAL H 4.000 . 6.000 4.962 4.604 5.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 27 GLU QB 1 30 VAL H 4.000 . 5.000 4.975 4.869 5.031 0.031 1 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 27 GLU HA 1 31 LYS H 4.000 . 5.000 4.206 3.845 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 27 GLU QG 1 31 LYS HA 4.000 . 6.000 5.564 5.098 6.056 0.056 28 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 27 GLU QG 1 31 LYS QE 4.000 . 6.000 3.271 1.798 5.544 0.002 24 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 27 GLU QB 1 31 LYS QD 4.000 . 5.000 4.552 3.889 5.111 0.111 34 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 28 LYS HA 1 28 LYS QG 3.000 . 3.300 2.921 2.541 3.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 28 LYS H 1 28 LYS QB 3.000 . 3.500 2.422 2.242 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 28 LYS H 1 28 LYS QG 4.000 . 5.000 2.355 2.169 3.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 28 LYS HA 1 29 VAL H 4.000 . 5.000 3.542 3.515 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 28 LYS QB 1 29 VAL H 2.500 . 2.900 2.494 2.378 2.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 28 LYS QB 1 29 VAL QG 4.000 . 5.500 3.114 3.013 3.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 28 LYS QD 1 29 VAL H 4.000 . 5.000 4.643 4.099 4.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 28 LYS H 1 29 VAL QG 4.000 . 6.500 4.105 4.048 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 28 LYS QG 1 29 VAL H 4.000 . 5.000 4.061 3.912 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 28 LYS H 1 29 VAL H 2.500 . 2.900 2.679 2.631 2.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 28 LYS H 1 30 VAL H 4.000 . 5.000 4.078 3.973 4.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 28 LYS HA 1 31 LYS H 3.000 . 3.500 3.273 2.917 3.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 28 LYS HA 1 31 LYS QG 4.000 . 5.000 2.862 1.891 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 28 LYS QD 1 31 LYS HA 4.000 . 6.000 6.041 6.013 6.084 0.084 28 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 28 LYS QB 1 32 GLN H 4.000 . 6.000 4.686 4.445 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 29 VAL HA 1 29 VAL QG 3.000 . 4.000 2.119 2.078 2.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 29 VAL H 1 29 VAL HB 3.000 . 3.500 2.547 2.431 2.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 29 VAL H 1 29 VAL QG 3.000 . 4.000 2.141 2.037 2.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 29 VAL HB 1 30 VAL H 3.000 . 3.500 2.635 2.557 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 29 VAL QG 1 30 VAL H 4.000 . 5.500 3.232 3.110 3.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 29 VAL QG 1 30 VAL HB 4.000 . 5.500 4.970 4.785 5.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 29 VAL HA 1 30 VAL H 3.000 . 3.500 3.521 3.497 3.536 0.036 11 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 29 VAL H 1 30 VAL H 2.500 . 2.900 2.703 2.611 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 29 VAL HA 1 32 GLN QG 4.000 . 6.000 4.482 4.112 4.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 29 VAL HA 1 32 GLN H 3.000 . 3.500 3.558 3.523 3.614 0.114 11 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 29 VAL HA 1 32 GLN QB 3.000 . 3.300 2.906 2.712 3.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 29 VAL HA 1 33 PHE H 4.000 . 6.000 4.346 4.128 4.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 30 VAL HA 1 30 VAL QG 2.500 . 3.200 2.164 2.121 2.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 30 VAL H 1 30 VAL QG 3.000 . 4.000 2.073 1.962 2.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 30 VAL H 1 30 VAL HB 3.000 . 3.500 2.593 2.504 2.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 30 VAL H 1 31 LYS H 3.000 . 3.500 2.654 2.595 2.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 30 VAL HA 1 31 LYS H 4.000 . 5.000 3.579 3.570 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 30 VAL QG 1 31 LYS HA 4.000 . 6.500 3.616 3.413 3.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 30 VAL HB 1 31 LYS H 3.000 . 3.500 2.452 2.385 2.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 30 VAL QG 1 31 LYS H 4.000 . 5.500 3.189 3.101 3.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 30 VAL HA 1 33 PHE H 3.000 . 3.500 3.166 3.030 3.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 30 VAL HA 1 33 PHE QB 4.000 . 5.000 2.242 1.991 2.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 30 VAL HA 1 33 PHE QD 4.000 . 5.500 4.044 3.752 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 30 VAL QG 1 33 PHE H 4.000 . 5.500 4.016 3.910 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 30 VAL QG 1 33 PHE QD 4.000 . 6.500 3.386 3.141 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 30 VAL HA 1 34 PHE H 4.000 . 6.000 4.162 3.823 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 30 VAL QG 1 34 PHE QD 4.000 . 6.000 2.575 2.118 3.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 30 VAL QG 1 34 PHE HZ 4.000 . 5.500 3.255 3.065 3.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 30 VAL QG 1 34 PHE QE 4.000 . 6.000 2.040 1.907 2.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 31 LYS HA 1 31 LYS QD 4.000 . 5.000 3.067 1.819 4.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 31 LYS HA 1 31 LYS QE 4.000 . 6.000 4.072 2.577 4.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 31 LYS QB 1 31 LYS QE 4.000 . 5.000 3.249 1.921 3.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 31 LYS H 1 31 LYS QB 3.000 . 3.500 2.442 2.319 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 31 LYS QB 1 31 LYS QD 3.000 . 3.300 2.341 2.099 2.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 31 LYS H 1 31 LYS QD 4.000 . 5.000 3.132 1.853 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 31 LYS H 1 31 LYS QG 4.000 . 5.000 2.529 1.987 3.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 31 LYS H 1 32 GLN H 3.000 . 3.500 2.854 2.782 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 31 LYS QG 1 32 GLN HA 4.000 . 6.000 5.705 5.601 5.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 31 LYS QB 1 32 GLN HA 4.000 . 5.000 3.824 3.739 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 31 LYS QB 1 32 GLN H 3.000 . 3.500 2.444 2.254 2.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 31 LYS QD 1 32 GLN H 4.000 . 5.500 4.552 4.016 4.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 31 LYS HA 1 32 GLN H 3.000 . 3.500 3.531 3.516 3.557 0.057 2 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 31 LYS QD 1 32 GLN QE 4.000 . 6.500 6.353 5.697 6.637 0.137 27 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 31 LYS HA 1 33 PHE H 4.000 . 5.000 4.271 4.134 4.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 31 LYS HA 1 34 PHE QB 4.000 . 5.000 3.418 3.234 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 31 LYS HA 1 34 PHE QD 4.000 . 5.500 3.406 3.023 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 31 LYS HA 1 34 PHE H 4.000 . 5.000 3.742 3.562 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 31 LYS HA 1 35 ASN H 4.000 . 6.000 3.729 3.600 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 31 LYS QG 1 35 ASN QD 4.000 . 5.500 5.510 5.096 5.577 0.077 36 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 31 LYS QB 1 35 ASN QD 4.000 . 6.000 3.935 3.724 4.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 32 GLN HA 1 32 GLN QG 3.000 . 3.300 2.793 2.253 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 32 GLN H 1 32 GLN QG 4.000 . 5.000 4.037 3.903 4.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 32 GLN H 1 32 GLN QB 2.500 . 2.900 2.241 2.162 2.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 32 GLN HA 1 32 GLN QE 4.000 . 6.000 2.524 1.818 4.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 32 GLN QB 1 33 PHE HA 4.000 . 6.000 4.104 3.912 4.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 32 GLN HA 1 33 PHE H 4.000 . 5.000 3.498 3.487 3.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 32 GLN QB 1 33 PHE H 3.000 . 3.500 2.639 2.556 2.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 32 GLN QG 1 33 PHE H 4.000 . 5.500 3.845 3.632 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 32 GLN H 1 33 PHE H 3.000 . 3.500 2.580 2.416 2.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 32 GLN HA 1 35 ASN H 3.000 . 3.500 3.486 3.074 3.544 0.044 28 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 32 GLN HA 1 35 ASN QD 4.000 . 5.000 3.760 3.242 4.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 32 GLN HA 1 35 ASN QB 3.000 . 3.300 1.959 1.772 2.128 0.028 24 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 32 GLN QE 1 35 ASN QB 4.000 . 5.000 3.574 1.921 5.112 0.112 24 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 32 GLN HA 1 36 ASP H 4.000 . 5.000 3.805 3.701 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 33 PHE HA 1 33 PHE QD 3.000 . 3.800 2.540 2.213 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 33 PHE H 1 33 PHE QB 3.000 . 3.500 2.193 2.173 2.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 33 PHE H 1 33 PHE QD 4.000 . 5.500 4.094 4.052 4.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 33 PHE HA 1 34 PHE H 4.000 . 5.000 3.537 3.520 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 33 PHE QB 1 34 PHE H 3.000 . 3.500 2.055 1.830 2.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 33 PHE H 1 34 PHE H 3.000 . 3.500 2.941 2.792 3.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 33 PHE QD 1 34 PHE QD 3.000 . 4.300 3.039 2.856 3.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 33 PHE HA 1 36 ASP QB 4.000 . 5.000 3.544 3.425 3.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 33 PHE HA 1 36 ASP H 4.000 . 5.000 3.969 3.835 4.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 33 PHE HA 1 37 ASN QB 4.000 . 5.000 4.992 4.896 5.041 0.041 37 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 33 PHE HA 1 37 ASN QD 4.000 . 5.000 3.217 3.063 3.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 33 PHE HA 1 37 ASN H 4.000 . 5.000 4.355 4.245 4.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 33 PHE QD 1 37 ASN H 4.000 . 6.000 5.311 5.224 5.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 33 PHE QD 1 37 ASN QD 4.000 . 5.500 2.427 2.336 2.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 33 PHE QE 1 37 ASN QD 4.000 . 6.500 2.725 2.597 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 33 PHE QD 1 54 VAL QG 4.000 . 6.000 4.988 4.579 5.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 33 PHE QE 1 54 VAL QG 4.000 . 6.000 4.156 3.720 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 33 PHE QD 1 56 GLU QB 4.000 . 5.500 3.074 2.678 3.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 33 PHE QE 1 56 GLU QB 4.000 . 5.500 3.249 2.632 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 33 PHE HZ 1 56 GLU QB 4.000 . 5.000 4.986 4.670 5.076 0.076 23 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 33 PHE QD 1 56 GLU H 4.000 . 5.500 4.992 4.714 5.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 33 PHE QE 1 56 GLU H 4.000 . 5.500 3.932 3.410 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 34 PHE H 1 34 PHE QB 2.500 . 2.900 2.459 2.405 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 34 PHE HA 1 35 ASN H 3.000 . 3.500 3.513 3.484 3.530 0.030 16 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 34 PHE QB 1 35 ASN HA 4.000 . 6.000 3.949 3.910 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 34 PHE QB 1 35 ASN QB 4.000 . 6.000 4.109 4.052 4.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 34 PHE QB 1 35 ASN H 3.000 . 3.500 2.641 2.579 2.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 34 PHE H 1 35 ASN H 3.000 . 3.500 2.561 2.396 2.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 34 PHE HA 1 37 ASN H 4.000 . 5.000 2.791 2.749 2.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 34 PHE HA 1 37 ASN QB 4.000 . 6.000 1.976 1.929 2.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 34 PHE HZ 1 37 ASN QD 4.000 . 5.000 5.091 5.047 5.124 0.124 14 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 35 ASN HA 1 35 ASN QD 4.000 . 5.000 3.505 3.356 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 35 ASN H 1 35 ASN HB3 3.000 . 3.500 2.551 2.465 2.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 35 ASN H 1 35 ASN HB2 3.000 . 3.500 2.469 2.319 2.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 35 ASN H 1 35 ASN QD 4.000 . 6.000 4.393 4.225 4.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 35 ASN QB 1 36 ASP H 3.000 . 3.500 2.534 2.445 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 35 ASN H 1 36 ASP H 3.000 . 3.500 2.710 2.670 2.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 35 ASN QD 1 36 ASP H 4.000 . 5.000 5.083 5.062 5.106 0.106 11 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 35 ASN H 1 37 ASN H 4.000 . 5.000 3.904 3.861 4.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 36 ASP H 1 36 ASP QB 2.500 . 2.900 2.443 2.411 2.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 36 ASP HA 1 37 ASN H 3.000 . 3.500 3.487 3.470 3.508 0.008 19 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 36 ASP QB 1 37 ASN QD 4.000 . 6.000 4.537 4.404 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 36 ASP QB 1 37 ASN H 3.000 . 3.500 3.007 2.946 3.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 36 ASP H 1 37 ASN H 3.000 . 3.500 2.312 2.288 2.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 36 ASP H 1 37 ASN QD 4.000 . 5.000 4.702 4.550 4.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 36 ASP H 1 38 GLY H 4.000 . 5.000 4.034 3.929 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 36 ASP QB 1 38 GLY H 4.000 . 6.000 4.978 4.850 5.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 36 ASP HA 1 39 VAL H 4.000 . 6.000 6.055 5.969 6.099 0.099 18 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 37 ASN H 1 37 ASN QB 3.000 . 3.500 2.422 2.376 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 37 ASN QB 1 38 GLY H 4.000 . 5.000 2.441 2.381 2.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 37 ASN H 1 38 GLY H 2.500 . 2.900 2.380 2.354 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 37 ASN HA 1 38 GLY H 4.000 . 5.000 3.506 3.477 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 37 ASN QD 1 38 GLY H 4.000 . 6.000 4.323 4.210 4.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 37 ASN QB 1 43 TRP HE1 4.000 . 5.000 3.640 2.653 4.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 37 ASN QB 1 54 VAL QG 4.000 . 5.500 2.260 1.966 2.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 37 ASN QD 1 54 VAL QG 4.000 . 6.500 3.222 2.846 3.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 37 ASN QD 1 56 GLU HA 4.000 . 5.000 4.553 3.115 5.014 0.014 18 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 37 ASN QD 1 56 GLU QG 4.000 . 5.500 4.675 3.214 5.546 0.046 39 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 38 GLY QA 1 39 VAL H 3.000 . 3.500 2.079 2.059 2.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 38 GLY QA 1 40 ASP H 4.000 . 5.000 3.916 3.535 4.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 38 GLY QA 1 43 TRP HE1 4.000 . 6.000 5.071 4.845 5.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 38 GLY QA 1 43 TRP HZ2 4.000 . 6.000 4.095 3.850 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 38 GLY QA 1 54 VAL QG 4.000 . 6.500 5.247 4.910 5.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 39 VAL HA 1 39 VAL QG 2.500 . 3.200 2.067 2.024 2.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 39 VAL H 1 39 VAL HB 2.500 . 2.900 2.523 2.378 2.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 39 VAL H 1 39 VAL QG 3.000 . 4.000 2.342 2.206 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 39 VAL HA 1 40 ASP H 3.000 . 3.500 3.444 3.286 3.626 0.126 6 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 39 VAL HB 1 40 ASP H 3.000 . 3.500 3.131 2.379 3.646 0.146 40 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 39 VAL QG 1 40 ASP H 3.000 . 4.000 3.404 2.936 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 39 VAL H 1 40 ASP QB 4.000 . 6.000 4.578 4.242 4.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 39 VAL H 1 40 ASP H 3.000 . 3.500 2.610 2.391 2.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 39 VAL QG 1 41 GLY H 4.000 . 5.500 4.446 4.212 4.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 40 ASP H 1 40 ASP QB 3.000 . 3.500 2.521 2.384 2.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 40 ASP HA 1 41 GLY H 3.000 . 3.500 3.091 2.972 3.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 40 ASP QB 1 41 GLY H 4.000 . 5.000 3.680 3.517 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 40 ASP H 1 41 GLY H 3.000 . 3.500 2.512 2.030 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 41 GLY QA 1 42 GLU H 2.500 . 2.900 2.245 2.149 2.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 41 GLY H 1 42 GLU H 4.000 . 5.000 4.597 4.526 4.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 41 GLY QA 1 43 TRP HD1 4.000 . 6.000 3.143 2.804 3.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 41 GLY QA 1 43 TRP HE1 4.000 . 5.000 2.520 1.878 3.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 41 GLY H 1 43 TRP HE1 4.000 . 5.000 3.077 2.639 3.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 42 GLU H 1 42 GLU QG 4.000 . 5.000 2.678 2.280 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 42 GLU H 1 42 GLU QB 3.000 . 3.500 2.456 2.334 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 42 GLU HA 1 43 TRP H 2.500 . 2.900 2.204 2.140 2.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 42 GLU QG 1 43 TRP H 4.000 . 5.000 4.519 4.195 4.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 42 GLU HA 1 43 TRP QB 4.000 . 6.000 4.510 4.412 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 42 GLU QB 1 43 TRP H 4.000 . 5.000 3.633 3.297 3.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 42 GLU H 1 54 VAL QG 4.000 . 5.500 3.844 3.559 4.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 42 GLU QB 1 55 THR HB 4.000 . 5.000 3.342 2.621 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 42 GLU QB 1 55 THR H 4.000 . 5.000 3.711 3.190 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 43 TRP H 1 43 TRP QB 2.500 . 2.900 2.482 2.369 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 43 TRP HA 1 44 THR H 2.500 . 2.900 2.153 2.132 2.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 43 TRP HA 1 44 THR MG 4.000 . 6.500 3.906 3.640 4.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 43 TRP QB 1 44 THR H 3.000 . 3.500 3.228 2.725 3.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 43 TRP HD1 1 44 THR H 4.000 . 6.000 5.192 4.882 5.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 43 TRP HE3 1 44 THR H 4.000 . 6.000 5.580 5.184 5.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 43 TRP HA 1 52 PHE QD 4.000 . 6.500 5.966 5.468 6.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 43 TRP QB 1 52 PHE QD 4.000 . 5.500 3.902 3.518 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 43 TRP HZ3 1 52 PHE QD 4.000 . 5.500 5.075 4.695 5.507 0.007 8 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 43 TRP HZ3 1 52 PHE QE 4.000 . 6.500 6.073 5.759 6.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 43 TRP HA 1 54 VAL HA 3.000 . 3.300 2.565 2.246 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 43 TRP QB 1 54 VAL HA 4.000 . 5.000 4.075 2.936 4.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 43 TRP HA 1 54 VAL QG 4.000 . 5.500 2.986 2.408 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 43 TRP QB 1 54 VAL QG 4.000 . 5.500 3.073 2.353 3.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 43 TRP HE1 1 54 VAL QG 4.000 . 5.500 2.811 2.031 3.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 43 TRP HZ2 1 54 VAL QG 4.000 . 5.500 3.395 2.876 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 43 TRP HZ3 1 54 VAL QG 4.000 . 6.500 3.871 2.961 4.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 43 TRP HE3 1 54 VAL QG 4.000 . 5.500 3.317 2.656 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 43 TRP HD1 1 54 VAL QG 4.000 . 5.500 3.059 2.066 3.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 43 TRP HH2 1 54 VAL QG 4.000 . 6.500 3.935 3.232 4.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 43 TRP HA 1 55 THR H 4.000 . 5.000 3.579 2.859 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 44 THR H 1 44 THR HB 4.000 . 5.000 3.706 3.671 3.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 44 THR H 1 44 THR MG 3.000 . 4.000 2.819 2.618 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 44 THR HA 1 44 THR MG 2.500 . 3.200 2.344 2.256 2.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 44 THR HA 1 45 TYR H 2.500 . 2.900 2.231 2.191 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 44 THR MG 1 45 TYR H 3.000 . 4.000 3.942 3.838 3.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 44 THR HB 1 45 TYR H 3.000 . 3.500 3.085 2.855 3.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 44 THR H 1 52 PHE HA 4.000 . 6.000 5.004 4.612 5.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 44 THR HB 1 53 THR H 4.000 . 5.000 4.719 4.418 5.004 0.004 19 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 44 THR MG 1 53 THR HB 4.000 . 5.500 4.802 4.515 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 44 THR MG 1 53 THR H 4.000 . 5.500 5.004 4.707 5.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 44 THR H 1 53 THR H 4.000 . 5.000 3.411 2.688 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 44 THR H 1 53 THR HB 4.000 . 5.000 4.455 4.070 4.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 44 THR H 1 53 THR MG 4.000 . 6.500 5.179 4.814 5.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 44 THR H 1 54 VAL HA 4.000 . 5.000 3.476 2.814 3.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 44 THR H 1 54 VAL QG 4.000 . 5.500 3.959 3.419 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 44 THR H 1 55 THR H 4.000 . 5.000 4.235 3.614 4.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 45 TYR H 1 45 TYR QB 3.000 . 3.500 2.416 2.354 2.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 45 TYR HA 1 46 ASP H 2.500 . 2.900 2.216 2.189 2.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 45 TYR QE 1 46 ASP H 4.000 . 5.500 3.483 3.435 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 45 TYR QB 1 46 ASP H 4.000 . 5.000 3.561 3.503 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 45 TYR H 1 46 ASP H 4.000 . 5.000 4.511 4.488 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 45 TYR QE 1 47 ASP HA 3.000 . 3.800 3.229 2.789 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 45 TYR QE 1 47 ASP QB 4.000 . 5.500 3.923 3.405 4.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 45 TYR QE 1 47 ASP H 4.000 . 5.500 4.197 3.814 4.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 45 TYR QE 1 50 LYS HA 3.000 . 3.800 2.621 2.105 3.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 45 TYR QE 1 50 LYS H 4.000 . 5.500 4.278 4.010 4.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 45 TYR QE 1 51 THR H 4.000 . 5.500 3.114 2.747 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 45 TYR HA 1 52 PHE HA 3.000 . 3.300 2.237 2.067 2.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 45 TYR QB 1 52 PHE HA 4.000 . 5.000 3.954 3.687 4.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 45 TYR QB 1 52 PHE QE 3.000 . 3.800 3.212 2.523 3.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 45 TYR QB 1 52 PHE QD 3.000 . 3.800 2.732 2.145 3.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 45 TYR H 1 52 PHE HA 4.000 . 5.000 4.906 4.695 5.020 0.020 16 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 45 TYR HA 1 53 THR H 3.000 . 3.500 3.289 2.848 3.518 0.018 13 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 46 ASP H 1 46 ASP QB 3.000 . 3.500 2.513 2.505 2.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 46 ASP HA 1 47 ASP H 2.500 . 2.900 2.313 2.284 2.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 46 ASP QB 1 47 ASP H 4.000 . 5.000 4.042 4.035 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 46 ASP HA 1 47 ASP QB 4.000 . 5.000 4.418 4.392 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 46 ASP H 1 47 ASP H 4.000 . 5.000 3.655 3.610 3.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 46 ASP HA 1 48 ALA H 4.000 . 5.000 3.511 3.462 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 46 ASP QB 1 48 ALA H 4.000 . 5.000 4.322 4.234 4.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 46 ASP QB 1 49 THR H 4.000 . 5.000 3.482 3.344 3.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 46 ASP QB 1 51 THR HB 4.000 . 5.000 2.902 2.241 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 46 ASP QB 1 51 THR H 3.000 . 3.500 3.016 2.611 3.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 46 ASP QB 1 51 THR MG 4.000 . 5.500 3.856 3.357 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 46 ASP H 1 51 THR MG 4.000 . 5.500 4.721 4.355 4.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 46 ASP H 1 51 THR HB 4.000 . 5.000 4.391 4.009 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 46 ASP H 1 51 THR H 3.000 . 3.500 3.481 3.268 3.538 0.038 29 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 46 ASP H 1 52 PHE HA 3.000 . 3.500 3.116 2.879 3.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 46 ASP H 1 53 THR H 4.000 . 5.000 4.509 3.661 4.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 47 ASP H 1 47 ASP HA 2.500 . 2.900 2.732 2.721 2.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 47 ASP H 1 47 ASP QB 3.000 . 3.500 2.559 2.530 2.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 47 ASP HA 1 48 ALA H 4.000 . 5.000 3.517 3.504 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 47 ASP QB 1 48 ALA H 3.000 . 3.500 2.668 2.603 2.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 47 ASP QB 1 48 ALA MB 4.000 . 6.500 3.988 3.910 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 47 ASP H 1 48 ALA MB 4.000 . 6.500 4.446 4.368 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 47 ASP H 1 48 ALA H 3.000 . 3.700 2.873 2.828 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 47 ASP HA 1 49 THR H 4.000 . 5.000 3.924 3.799 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 47 ASP H 1 49 THR H 4.000 . 5.000 4.461 4.346 4.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 47 ASP HA 1 50 LYS H 4.000 . 5.000 2.938 2.852 3.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 47 ASP HA 1 50 LYS QD 4.000 . 5.000 3.855 2.897 5.014 0.014 36 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 48 ALA H 1 48 ALA HA 2.500 . 2.900 2.741 2.733 2.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 48 ALA H 1 48 ALA MB 3.000 . 4.000 2.117 2.039 2.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 48 ALA H 1 49 THR HA 4.000 . 6.000 5.416 5.372 5.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 48 ALA MB 1 49 THR HA 4.000 . 5.500 4.083 3.982 4.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 48 ALA HA 1 49 THR H 3.000 . 3.500 3.513 3.496 3.522 0.022 39 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 48 ALA MB 1 49 THR H 3.000 . 4.000 2.782 2.669 2.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 48 ALA H 1 49 THR MG 4.000 . 5.500 4.687 4.542 4.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 48 ALA H 1 49 THR H 2.500 . 2.900 2.860 2.775 2.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 48 ALA HA 1 50 LYS H 4.000 . 5.000 4.318 4.156 4.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 48 ALA MB 1 50 LYS H 4.000 . 5.500 4.393 4.318 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 48 ALA H 1 50 LYS H 4.000 . 5.000 3.975 3.885 4.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 49 THR HA 1 49 THR MG 2.500 . 3.200 2.378 2.295 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 49 THR H 1 49 THR MG 3.000 . 4.000 2.937 2.806 3.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 49 THR HB 1 50 LYS H 4.000 . 6.000 4.398 4.356 4.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 49 THR HA 1 50 LYS H 3.000 . 3.500 3.137 3.093 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 49 THR MG 1 50 LYS H 4.000 . 5.500 4.306 4.254 4.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 49 THR H 1 50 LYS H 2.500 . 2.900 2.170 2.090 2.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 49 THR H 1 51 THR H 4.000 . 5.000 3.249 3.094 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 49 THR H 1 51 THR HB 4.000 . 6.000 4.554 4.273 4.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 50 LYS HA 1 50 LYS QG 3.000 . 3.300 2.620 2.274 3.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 50 LYS HA 1 50 LYS QD 3.000 . 3.300 2.650 2.047 3.404 0.104 14 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 50 LYS H 1 50 LYS QG 3.000 . 3.500 2.735 2.563 3.560 0.060 34 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 50 LYS H 1 50 LYS QD 4.000 . 5.000 3.689 2.157 4.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 50 LYS HA 1 51 THR H 2.500 . 2.900 2.880 2.812 2.941 0.041 34 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 50 LYS H 1 51 THR HB 4.000 . 6.000 4.975 4.839 5.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 50 LYS H 1 51 THR H 2.500 . 2.900 2.788 2.674 2.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 50 LYS QB 1 51 THR H 4.000 . 5.000 3.807 3.746 3.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 50 LYS QD 1 51 THR H 4.000 . 6.000 5.125 4.408 5.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 50 LYS QG 1 51 THR H 4.000 . 5.000 4.623 4.444 4.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 51 THR H 1 51 THR HB 2.500 . 2.900 2.571 2.461 2.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 51 THR HA 1 51 THR HG1 4.000 . 5.000 2.949 2.302 3.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 51 THR HA 1 51 THR MG 2.500 . 3.200 2.447 2.383 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 51 THR H 1 51 THR MG 3.000 . 4.000 3.836 3.786 3.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 51 THR H 1 51 THR HG1 4.000 . 5.000 3.274 2.449 4.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 51 THR HB 1 52 PHE H 4.000 . 5.000 3.987 3.777 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 51 THR HA 1 52 PHE QD 4.000 . 5.500 2.886 2.572 3.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 51 THR HA 1 52 PHE H 2.500 . 2.900 2.214 2.144 2.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 51 THR HA 1 52 PHE QB 4.000 . 6.000 4.437 4.345 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 51 THR MG 1 52 PHE HA 4.000 . 5.500 3.751 3.548 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 51 THR MG 1 52 PHE H 3.000 . 4.000 2.093 1.884 2.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 51 THR H 1 52 PHE H 4.000 . 5.000 4.462 4.396 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 51 THR H 1 52 PHE HA 4.000 . 6.000 4.981 4.862 5.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 52 PHE HA 1 52 PHE QD 4.000 . 5.500 3.177 2.640 3.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 52 PHE H 1 52 PHE QB 3.000 . 3.500 2.579 2.457 2.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 52 PHE QB 1 52 PHE QE 4.000 . 6.500 3.928 3.920 3.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 52 PHE H 1 52 PHE QE 4.000 . 6.500 4.390 4.153 4.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 52 PHE H 1 52 PHE QD 3.000 . 4.000 2.179 1.881 3.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 52 PHE HA 1 53 THR HB 4.000 . 6.000 5.671 5.652 5.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 52 PHE HA 1 53 THR H 2.500 . 2.900 2.227 2.123 2.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 52 PHE QB 1 53 THR H 3.000 . 3.500 3.071 2.748 3.620 0.120 26 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 52 PHE H 1 53 THR H 4.000 . 5.000 4.360 3.805 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 52 PHE QD 1 53 THR H 4.000 . 5.500 4.478 4.071 4.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 52 PHE QB 1 54 VAL QG 4.000 . 6.500 3.408 2.969 3.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 53 THR H 1 53 THR HB 4.000 . 5.000 3.651 3.587 3.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 53 THR H 1 53 THR MG 4.000 . 5.500 3.167 2.845 3.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 53 THR HB 1 54 VAL H 4.000 . 5.000 3.392 3.198 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 53 THR HA 1 54 VAL H 2.500 . 2.900 2.111 2.086 2.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 53 THR MG 1 54 VAL H 3.000 . 4.000 3.746 3.587 4.043 0.043 20 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 53 THR H 1 54 VAL QG 4.000 . 6.500 4.284 4.013 4.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 53 THR MG 1 55 THR H 4.000 . 6.500 5.932 5.535 6.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 54 VAL HA 1 54 VAL QG 3.000 . 3.800 2.107 2.052 2.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 54 VAL H 1 54 VAL HB 3.000 . 3.500 2.595 2.502 2.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 54 VAL H 1 54 VAL QG 4.000 . 5.500 2.549 2.199 2.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 54 VAL HA 1 55 THR H 2.500 . 2.900 2.162 2.136 2.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 54 VAL QG 1 55 THR H 4.000 . 5.500 2.902 2.485 3.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 54 VAL H 1 55 THR H 4.000 . 5.000 4.241 4.032 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 54 VAL HB 1 55 THR H 4.000 . 5.000 4.349 4.171 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 55 THR H 1 55 THR HB 3.000 . 3.500 2.643 2.567 2.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 55 THR HA 1 55 THR MG 3.000 . 3.800 2.317 2.247 2.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 55 THR H 1 55 THR MG 3.000 . 4.000 3.835 3.783 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 55 THR HB 1 56 GLU H 4.000 . 5.000 4.214 3.439 4.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 55 THR HA 1 56 GLU H 2.500 . 2.900 2.145 2.111 2.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 55 THR MG 1 56 GLU HA 4.000 . 5.500 4.436 4.030 4.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 55 THR HA 1 56 GLU QG 4.000 . 6.500 5.303 3.841 5.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 55 THR MG 1 56 GLU H 3.000 . 4.000 2.953 1.934 3.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 55 THR H 1 56 GLU H 4.000 . 5.000 4.358 4.268 4.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 56 GLU HA 1 56 GLU QG 3.000 . 3.500 2.928 2.436 3.510 0.010 29 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 56 GLU H 1 56 GLU QG 4.000 . 5.000 3.506 1.809 4.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 56 GLU H 1 56 GLU QB 3.000 . 3.500 2.301 2.179 2.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 2 1 MET HA 2 1 MET ME 4.000 . 5.500 3.942 1.780 4.660 0.020 19 0 "[ . 1 . 2 . 3 . 4]" 1
712 2 1 MET HA 2 2 GLN H 2.500 . 2.900 2.318 2.156 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 2 1 MET QB 2 2 GLN H 4.000 . 5.000 3.227 1.828 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 2 1 MET QG 2 2 GLN H 4.000 . 5.000 2.869 1.783 4.607 0.017 29 0 "[ . 1 . 2 . 3 . 4]" 1
715 2 1 MET ME 2 2 GLN H 4.000 . 5.500 3.644 1.777 4.687 0.023 19 0 "[ . 1 . 2 . 3 . 4]" 1
716 2 1 MET HB3 2 3 TYR QE 3.000 . 3.800 2.452 1.970 3.905 0.105 18 0 "[ . 1 . 2 . 3 . 4]" 1
717 2 1 MET HB2 2 3 TYR QE 3.000 . 3.800 3.451 2.077 3.866 0.066 18 0 "[ . 1 . 2 . 3 . 4]" 1
718 2 1 MET HG3 2 3 TYR QE 4.000 . 5.500 3.926 1.843 5.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 2 1 MET HG2 2 3 TYR QE 4.000 . 5.500 3.852 2.403 5.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 2 1 MET ME 2 3 TYR QE 4.000 . 7.000 3.670 2.470 4.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 2 2 GLN H 2 2 GLN HA 3.000 . 3.500 2.935 2.920 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 2 2 GLN H 2 2 GLN QG 4.000 . 5.000 4.025 3.995 4.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 2 2 GLN HA 2 2 GLN QG 3.000 . 3.300 2.550 2.456 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 2 2 GLN H 2 2 GLN QB 3.000 . 3.300 2.374 2.307 2.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 2 2 GLN HA 2 3 TYR H 2.500 . 2.900 2.219 2.144 2.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 2 2 GLN QG 2 3 TYR H 3.000 . 3.500 2.517 2.103 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 2 2 GLN HB3 2 3 TYR H 4.000 . 5.000 4.027 3.776 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 2 2 GLN HB2 2 3 TYR H 4.000 . 5.000 4.094 3.921 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 2 2 GLN H 2 3 TYR H 4.000 . 5.000 4.499 4.454 4.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 2 2 GLN QG 2 17 THR HB 4.000 . 5.000 2.765 2.391 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 2 2 GLN QE 2 17 THR HB 4.000 . 6.500 3.553 1.920 5.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 2 2 GLN QG 2 17 THR MG 4.000 . 5.500 3.417 3.064 3.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 2 2 GLN QB 2 17 THR MG 4.000 . 5.500 5.069 4.733 5.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 2 2 GLN QE 2 17 THR MG 4.000 . 5.500 3.864 2.243 5.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 2 2 GLN QG 2 18 THR H 4.000 . 6.000 4.346 3.862 5.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 2 2 GLN HA 2 19 GLU HA 2.500 . 2.700 2.401 2.228 2.721 0.021 18 0 "[ . 1 . 2 . 3 . 4]" 1
737 2 2 GLN QG 2 19 GLU HA 4.000 . 6.000 3.729 2.760 5.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 2 2 GLN QE 2 19 GLU QB 4.000 . 6.000 4.411 1.895 6.023 0.023 33 0 "[ . 1 . 2 . 3 . 4]" 1
739 2 2 GLN H 2 19 GLU HA 4.000 . 5.000 5.020 4.922 5.066 0.066 2 0 "[ . 1 . 2 . 3 . 4]" 1
740 2 2 GLN HA 2 20 ALA H 4.000 . 5.000 3.407 2.808 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 2 3 TYR HA 2 3 TYR QD 3.000 . 3.800 3.134 2.971 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 2 3 TYR H 2 3 TYR QB 3.000 . 3.500 2.604 2.495 2.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 2 3 TYR H 2 3 TYR QD 3.000 . 3.500 2.569 2.212 2.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 2 3 TYR HA 2 4 LYS H 2.500 . 2.900 2.243 2.197 2.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 2 3 TYR QB 2 4 LYS H 4.000 . 5.000 2.790 2.630 2.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 2 3 TYR QD 2 4 LYS H 4.000 . 5.500 4.100 3.848 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 2 3 TYR H 2 4 LYS H 4.000 . 6.000 4.440 4.418 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 2 3 TYR H 2 17 THR MG 4.000 . 5.500 4.711 4.469 4.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
749 2 3 TYR H 2 17 THR HA 4.000 . 5.000 4.470 4.258 4.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 2 3 TYR HA 2 18 THR MG 4.000 . 5.500 4.814 4.617 4.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 2 3 TYR QB 2 18 THR MG 3.000 . 3.800 2.361 2.122 2.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 2 3 TYR QD 2 18 THR MG 3.000 . 4.300 3.449 3.060 3.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 2 3 TYR H 2 18 THR MG 3.000 . 4.000 3.447 3.231 3.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 2 3 TYR H 2 18 THR H 3.000 . 3.500 3.500 3.325 3.539 0.039 18 0 "[ . 1 . 2 . 3 . 4]" 1
755 2 3 TYR QB 2 18 THR H 4.000 . 5.000 3.381 2.954 3.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
756 2 3 TYR QD 2 19 GLU HA 4.000 . 5.500 3.448 2.763 3.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
757 2 3 TYR QE 2 19 GLU HA 4.000 . 5.500 4.820 3.883 5.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 2 3 TYR H 2 19 GLU HA 3.000 . 3.500 3.254 2.924 3.507 0.007 10 0 "[ . 1 . 2 . 3 . 4]" 1
759 2 3 TYR QD 2 20 ALA MB 3.000 . 4.300 3.737 3.318 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
760 2 3 TYR QE 2 20 ALA MB 3.000 . 4.300 3.596 3.182 4.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 2 3 TYR QE 2 20 ALA H 4.000 . 5.500 3.224 2.382 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 2 3 TYR QD 2 20 ALA H 4.000 . 5.500 2.803 2.520 3.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 2 3 TYR QD 2 23 ALA HA 4.000 . 5.500 3.402 2.822 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
764 2 3 TYR QE 2 23 ALA HA 4.000 . 5.500 2.845 2.300 3.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 2 3 TYR QE 2 23 ALA MB 3.000 . 4.300 2.296 1.952 2.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 2 3 TYR QD 2 23 ALA MB 4.000 . 6.000 3.354 2.845 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 2 3 TYR QE 2 23 ALA H 4.000 . 5.500 3.360 2.846 3.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
768 2 3 TYR QD 2 23 ALA H 4.000 . 6.500 5.108 4.769 5.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 2 3 TYR QB 2 26 ALA MB 3.000 . 3.800 2.562 2.246 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
770 2 4 LYS HA 2 4 LYS QG 3.000 . 3.300 2.575 2.326 3.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 2 4 LYS HA 2 4 LYS QD 4.000 . 5.000 3.575 1.943 4.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
772 2 4 LYS QB 2 4 LYS QE 4.000 . 5.500 2.824 1.910 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 2 4 LYS H 2 4 LYS HA 3.000 . 3.500 2.939 2.922 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
774 2 4 LYS H 2 4 LYS QB 3.000 . 3.500 2.379 2.302 2.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 2 4 LYS H 2 4 LYS QG 4.000 . 5.000 4.031 3.971 4.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 2 4 LYS HA 2 5 VAL QG 4.000 . 5.500 3.745 3.271 3.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 2 4 LYS HA 2 5 VAL H 2.500 . 2.900 2.168 2.136 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 2 4 LYS QB 2 5 VAL H 4.000 . 5.000 3.889 3.415 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 2 4 LYS QG 2 5 VAL H 3.000 . 4.000 3.232 2.107 3.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 2 4 LYS H 2 5 VAL H 4.000 . 5.000 4.257 4.091 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
781 2 4 LYS QB 2 6 ILE MD 4.000 . 6.000 4.626 4.187 5.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
782 2 4 LYS QE 2 6 ILE MD 4.000 . 6.500 4.241 2.140 6.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
783 2 4 LYS HA 2 16 THR H 4.000 . 5.000 4.702 4.460 5.024 0.024 15 0 "[ . 1 . 2 . 3 . 4]" 1
784 2 4 LYS HA 2 17 THR HA 3.000 . 3.300 2.404 1.922 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
785 2 4 LYS QG 2 17 THR HB 4.000 . 6.000 5.033 4.206 6.048 0.048 32 0 "[ . 1 . 2 . 3 . 4]" 1
786 2 4 LYS QB 2 17 THR HA 4.000 . 6.500 4.394 3.827 4.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 2 4 LYS QG 2 17 THR HA 4.000 . 6.000 4.243 3.556 5.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
788 2 4 LYS HA 2 17 THR MG 3.000 . 3.800 1.988 1.925 2.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 2 4 LYS HA 2 18 THR H 4.000 . 5.000 3.888 3.318 4.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
790 2 4 LYS QB 2 18 THR H 4.000 . 6.500 5.612 5.112 6.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
791 2 5 VAL H 2 5 VAL QG 4.000 . 5.500 2.529 2.323 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 2 5 VAL H 2 5 VAL HB 3.000 . 3.500 2.557 2.500 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 2 5 VAL HA 2 6 ILE QG 4.000 . 6.000 3.730 3.504 3.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 2 5 VAL HA 2 6 ILE H 2.500 . 2.900 2.128 2.081 2.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 2 5 VAL QG 2 6 ILE H 3.000 . 4.000 2.544 2.127 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 2 5 VAL HA 2 6 ILE MD 4.000 . 6.500 5.088 4.927 5.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
797 2 5 VAL QG 2 7 LEU HG 4.000 . 5.500 3.468 2.805 3.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 2 5 VAL QG 2 7 LEU QD 3.000 . 4.300 1.887 1.784 2.675 0.016 7 0 "[ . 1 . 2 . 3 . 4]" 1
799 2 5 VAL QG 2 7 LEU H 4.000 . 6.500 4.156 3.911 4.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 2 5 VAL H 2 15 GLU HA 4.000 . 6.000 5.359 4.480 5.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 2 5 VAL HB 2 16 THR HB 4.000 . 5.000 4.558 4.257 4.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
802 2 5 VAL QG 2 16 THR HB 4.000 . 5.500 4.691 4.393 4.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
803 2 5 VAL HB 2 16 THR HA 4.000 . 6.000 5.005 4.556 5.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 2 5 VAL HB 2 16 THR HG1 4.000 . 5.000 3.004 2.577 4.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 2 5 VAL QG 2 16 THR HG1 4.000 . 5.500 3.463 3.025 4.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 2 5 VAL QG 2 16 THR H 4.000 . 5.500 3.966 3.706 4.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 2 5 VAL H 2 16 THR H 3.000 . 3.500 3.431 2.544 3.573 0.073 7 0 "[ . 1 . 2 . 3 . 4]" 1
808 2 5 VAL H 2 16 THR HG1 4.000 . 5.000 3.854 3.458 5.054 0.054 18 0 "[ . 1 . 2 . 3 . 4]" 1
809 2 5 VAL H 2 17 THR MG 4.000 . 5.500 3.230 2.885 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 2 5 VAL H 2 17 THR HA 4.000 . 5.000 2.499 2.222 3.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 2 5 VAL HB 2 18 THR H 4.000 . 6.000 4.476 4.086 5.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
812 2 5 VAL HA 2 30 VAL QG 4.000 . 5.500 4.470 4.172 4.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
813 2 5 VAL HB 2 30 VAL QG 4.000 . 5.500 3.212 2.842 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
814 2 5 VAL QG 2 33 PHE QB 4.000 . 6.500 4.913 4.581 5.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
815 2 5 VAL QG 2 34 PHE QE 4.000 . 7.000 3.019 2.762 3.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 2 5 VAL QG 2 34 PHE HZ 4.000 . 6.500 3.412 3.071 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 2 6 ILE HA 2 6 ILE QG 3.000 . 3.300 2.357 2.264 2.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 2 6 ILE HA 2 6 ILE MD 4.000 . 5.500 3.801 3.705 3.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 2 6 ILE H 2 6 ILE HB 3.000 . 3.500 2.484 2.411 2.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 2 6 ILE H 2 6 ILE QG 3.000 . 3.500 2.657 2.404 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 2 6 ILE H 2 6 ILE MG 4.000 . 5.500 3.780 3.744 3.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 2 6 ILE HA 2 6 ILE MG 3.000 . 3.800 2.432 2.351 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
823 2 6 ILE H 2 6 ILE MD 4.000 . 6.500 3.912 3.765 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
824 2 6 ILE HB 2 6 ILE MD 3.000 . 3.800 2.397 2.303 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 2 6 ILE HA 2 7 LEU H 2.500 . 2.900 2.146 2.118 2.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 2 6 ILE HB 2 7 LEU H 4.000 . 5.000 4.262 4.088 4.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
827 2 6 ILE QG 2 7 LEU H 4.000 . 6.000 4.074 3.974 4.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 2 6 ILE HA 2 7 LEU QD 4.000 . 6.500 3.678 3.511 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
829 2 6 ILE MG 2 7 LEU H 3.000 . 4.000 2.580 2.354 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
830 2 6 ILE MD 2 7 LEU H 4.000 . 5.500 5.099 4.946 5.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 2 6 ILE H 2 7 LEU H 4.000 . 5.000 4.401 4.296 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
832 2 6 ILE MG 2 8 ASN QB 4.000 . 5.500 3.075 2.172 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
833 2 6 ILE MG 2 8 ASN HD21 4.000 . 5.500 3.291 2.402 4.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 2 6 ILE MG 2 8 ASN HA 4.000 . 5.500 3.806 3.573 4.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
835 2 6 ILE MG 2 8 ASN HD22 4.000 . 5.500 3.306 1.796 4.791 0.004 27 0 "[ . 1 . 2 . 3 . 4]" 1
836 2 6 ILE HA 2 15 GLU QG 4.000 . 5.000 3.154 2.702 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
837 2 6 ILE HA 2 15 GLU HA 2.500 . 2.700 2.292 2.054 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
838 2 6 ILE MG 2 15 GLU HA 4.000 . 5.500 3.606 3.190 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 2 6 ILE MD 2 15 GLU HA 4.000 . 5.500 4.851 4.362 5.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
840 2 6 ILE MD 2 15 GLU QG 3.000 . 3.800 3.317 2.927 3.848 0.048 7 0 "[ . 1 . 2 . 3 . 4]" 1
841 2 6 ILE HA 2 15 GLU QB 4.000 . 6.000 3.832 3.348 4.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
842 2 6 ILE HA 2 16 THR H 4.000 . 5.000 3.172 2.959 3.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
843 2 6 ILE MD 2 16 THR H 4.000 . 6.500 5.623 5.212 6.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
844 2 7 LEU H 2 7 LEU QB 3.000 . 3.500 2.652 2.299 2.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 2 7 LEU H 2 7 LEU HG 3.000 . 3.500 2.340 2.195 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 2 7 LEU HA 2 7 LEU HG 4.000 . 5.000 3.390 2.949 3.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
847 2 7 LEU HA 2 7 LEU QD 3.000 . 3.800 2.108 1.847 2.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
848 2 7 LEU H 2 7 LEU QD 4.000 . 5.500 2.935 2.762 3.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 2 7 LEU HA 2 8 ASN H 2.500 . 2.900 2.250 2.175 2.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 2 7 LEU QB 2 8 ASN H 4.000 . 5.000 3.726 3.566 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
851 2 7 LEU HG 2 8 ASN H 4.000 . 6.000 5.316 5.090 5.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 2 7 LEU QD 2 8 ASN H 4.000 . 5.500 3.937 3.682 4.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
853 2 7 LEU H 2 8 ASN H 4.000 . 5.000 3.975 3.821 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 2 7 LEU HB3 2 12 LEU QD 4.000 . 5.500 4.525 4.046 4.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 2 7 LEU HB2 2 12 LEU QD 4.000 . 5.500 4.304 4.133 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
856 2 7 LEU QD 2 12 LEU QD 3.000 . 4.300 3.836 3.708 4.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 2 7 LEU QB 2 13 LYS HA 4.000 . 5.000 4.131 3.956 4.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
858 2 7 LEU H 2 13 LYS HA 4.000 . 6.000 5.195 4.943 5.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 2 7 LEU QB 2 14 GLY QA 4.000 . 5.000 3.687 3.248 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
860 2 7 LEU QD 2 14 GLY QA 4.000 . 5.500 4.060 3.904 4.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
861 2 7 LEU QB 2 14 GLY H 3.000 . 3.500 3.486 3.366 3.533 0.033 30 0 "[ . 1 . 2 . 3 . 4]" 1
862 2 7 LEU QD 2 14 GLY H 4.000 . 5.500 4.734 4.600 4.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 2 7 LEU QD 2 15 GLU HA 4.000 . 5.500 4.189 3.798 4.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 2 7 LEU HG 2 15 GLU HA 4.000 . 5.000 3.670 3.168 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 2 7 LEU QD 2 15 GLU H 4.000 . 5.500 4.664 4.330 4.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 2 7 LEU H 2 15 GLU HA 3.000 . 3.500 2.887 2.525 3.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
867 2 7 LEU QD 2 16 THR HB 4.000 . 5.500 3.209 2.911 3.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 2 7 LEU QD 2 16 THR HA 4.000 . 6.500 4.793 4.532 5.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
869 2 7 LEU QD 2 16 THR HG1 4.000 . 5.500 4.123 3.916 4.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
870 2 7 LEU QB 2 33 PHE QD 4.000 . 6.500 6.584 6.549 6.631 0.131 20 0 "[ . 1 . 2 . 3 . 4]" 1
871 2 7 LEU QB 2 33 PHE QE 4.000 . 6.500 6.210 6.054 6.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
872 2 7 LEU QD 2 33 PHE QD 3.000 . 4.300 3.823 3.688 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
873 2 7 LEU QD 2 33 PHE QE 3.000 . 4.300 3.401 3.269 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
874 2 7 LEU QB 2 34 PHE QE 4.000 . 5.500 4.298 4.215 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
875 2 7 LEU QB 2 34 PHE HZ 4.000 . 5.000 3.889 3.662 4.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
876 2 7 LEU HG 2 34 PHE QE 4.000 . 5.500 4.640 3.924 4.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
877 2 7 LEU QD 2 34 PHE QE 3.000 . 4.300 2.145 1.883 2.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
878 2 7 LEU QD 2 34 PHE HZ 3.000 . 3.800 1.722 1.697 1.775 0.103 29 0 "[ . 1 . 2 . 3 . 4]" 1
879 2 7 LEU QD 2 34 PHE QD 4.000 . 6.000 3.666 3.347 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
880 2 8 ASN H 2 8 ASN QB 3.000 . 3.500 2.384 2.277 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
881 2 8 ASN H 2 8 ASN QD 4.000 . 6.000 4.121 2.942 4.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
882 2 8 ASN HA 2 8 ASN QD 4.000 . 6.000 3.190 1.793 3.975 0.007 25 0 "[ . 1 . 2 . 3 . 4]" 1
883 2 8 ASN HA 2 9 GLY H 2.500 . 2.900 2.174 2.146 2.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
884 2 8 ASN QB 2 9 GLY H 4.000 . 5.000 3.696 3.467 3.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
885 2 8 ASN H 2 9 GLY H 4.000 . 5.000 4.283 4.173 4.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
886 2 8 ASN HA 2 12 LEU QD 4.000 . 5.500 5.557 5.498 5.599 0.099 24 0 "[ . 1 . 2 . 3 . 4]" 1
887 2 8 ASN HA 2 13 LYS HA 4.000 . 5.000 2.713 2.550 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
888 2 8 ASN HA 2 13 LYS QD 4.000 . 5.000 4.433 2.171 5.040 0.040 26 0 "[ . 1 . 2 . 3 . 4]" 1
889 2 8 ASN HA 2 13 LYS QG 4.000 . 5.000 3.034 2.526 4.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
890 2 8 ASN QD 2 13 LYS HA 4.000 . 6.000 4.902 3.124 6.024 0.024 40 0 "[ . 1 . 2 . 3 . 4]" 1
891 2 8 ASN HA 2 14 GLY H 4.000 . 5.000 3.515 3.233 3.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
892 2 9 GLY QA 2 10 LYS H 2.500 . 2.900 2.249 2.174 2.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
893 2 9 GLY H 2 10 LYS H 4.000 . 5.000 4.381 4.332 4.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
894 2 9 GLY QA 2 11 THR H 4.000 . 5.000 3.836 3.672 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
895 2 9 GLY H 2 11 THR H 4.000 . 6.000 5.508 5.258 5.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
896 2 9 GLY QA 2 12 LEU H 3.000 . 3.500 3.064 2.836 3.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
897 2 9 GLY QA 2 12 LEU HG 4.000 . 5.000 4.581 4.362 4.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
898 2 9 GLY H 2 12 LEU QB 4.000 . 5.500 4.073 3.884 4.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
899 2 9 GLY QA 2 12 LEU QD 4.000 . 5.500 4.384 4.241 4.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
900 2 9 GLY H 2 12 LEU QD 4.000 . 5.500 4.688 4.595 4.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
901 2 9 GLY H 2 12 LEU H 4.000 . 5.000 3.831 3.587 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
902 2 9 GLY H 2 13 LYS HA 3.000 . 3.500 2.711 2.416 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
903 2 9 GLY H 2 13 LYS QD 4.000 . 5.000 4.255 2.084 5.006 0.006 11 0 "[ . 1 . 2 . 3 . 4]" 1
904 2 9 GLY H 2 13 LYS QG 4.000 . 5.000 2.693 2.202 4.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
905 2 10 LYS HA 2 10 LYS QG 3.000 . 3.300 2.545 2.391 3.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
906 2 10 LYS H 2 10 LYS QB 3.000 . 3.500 2.415 2.264 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
907 2 10 LYS HA 2 10 LYS QD 4.000 . 6.000 3.458 1.954 4.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
908 2 10 LYS H 2 10 LYS QD 4.000 . 6.000 3.590 1.809 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
909 2 10 LYS H 2 10 LYS QG 4.000 . 5.000 2.486 1.941 3.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
910 2 10 LYS QG 2 11 THR HA 4.000 . 6.000 5.813 5.749 5.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
911 2 10 LYS HA 2 11 THR H 4.000 . 5.000 3.566 3.545 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
912 2 10 LYS HA 2 11 THR MG 4.000 . 5.500 4.696 4.358 4.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
913 2 10 LYS QB 2 11 THR MG 4.000 . 5.500 3.036 2.861 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
914 2 10 LYS QB 2 11 THR H 3.000 . 3.500 2.250 2.119 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
915 2 10 LYS H 2 11 THR H 3.000 . 3.500 2.657 2.439 3.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
916 2 10 LYS QG 2 11 THR H 4.000 . 5.000 3.983 3.607 4.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
917 2 10 LYS HA 2 12 LEU H 4.000 . 5.000 4.252 4.176 4.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
918 2 10 LYS QB 2 12 LEU H 4.000 . 5.000 4.102 3.993 4.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
919 2 10 LYS H 2 12 LEU H 4.000 . 5.000 3.348 3.067 3.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
920 2 11 THR HA 2 11 THR MG 2.500 . 3.200 2.234 2.137 2.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
921 2 11 THR H 2 11 THR MG 3.000 . 4.000 2.985 2.851 3.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
922 2 11 THR HB 2 12 LEU H 4.000 . 6.000 4.160 4.023 4.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
923 2 11 THR HA 2 12 LEU H 3.000 . 3.500 3.243 3.091 3.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
924 2 11 THR MG 2 12 LEU H 4.000 . 6.500 4.360 4.287 4.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
925 2 11 THR H 2 12 LEU H 2.500 . 2.900 2.287 2.228 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
926 2 11 THR H 2 12 LEU QD 4.000 . 5.500 5.113 4.898 5.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
927 2 12 LEU HA 2 12 LEU QD 4.000 . 5.500 1.899 1.842 1.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
928 2 12 LEU H 2 12 LEU QB 3.000 . 4.000 2.596 2.548 2.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
929 2 12 LEU HA 2 12 LEU HG 4.000 . 5.000 3.295 3.250 3.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
930 2 12 LEU H 2 12 LEU HG 4.000 . 5.000 4.491 4.457 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
931 2 12 LEU HA 2 13 LYS H 2.500 . 2.900 2.168 2.131 2.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
932 2 12 LEU QD 2 13 LYS HA 4.000 . 5.500 3.761 3.622 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
933 2 12 LEU QB 2 13 LYS H 3.000 . 4.000 3.626 3.598 3.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
934 2 12 LEU HG 2 13 LYS H 4.000 . 6.000 3.045 2.924 3.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
935 2 12 LEU MD1 2 13 LYS H 4.000 . 5.500 1.918 1.828 2.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
936 2 12 LEU MD2 2 13 LYS H 4.000 . 5.500 4.261 4.202 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
937 2 12 LEU H 2 13 LYS H 4.000 . 5.000 4.324 4.312 4.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
938 2 12 LEU QD 2 14 GLY H 4.000 . 5.500 4.528 4.305 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
939 2 12 LEU QD 2 34 PHE QD 4.000 . 7.000 6.261 6.096 6.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
940 2 12 LEU QD 2 34 PHE QE 4.000 . 6.000 5.511 5.426 5.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
941 2 12 LEU QD 2 34 PHE HZ 4.000 . 6.500 6.477 6.303 6.542 0.042 31 0 "[ . 1 . 2 . 3 . 4]" 1
942 2 13 LYS HA 2 13 LYS QG 3.000 . 3.300 2.501 2.419 3.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
943 2 13 LYS H 2 13 LYS QB 3.000 . 3.500 2.796 2.673 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
944 2 13 LYS HA 2 13 LYS QD 4.000 . 5.000 3.782 2.060 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
945 2 13 LYS H 2 13 LYS QG 3.000 . 3.500 3.205 2.845 3.548 0.048 4 0 "[ . 1 . 2 . 3 . 4]" 1
946 2 13 LYS HA 2 14 GLY H 2.500 . 2.900 2.269 2.216 2.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
947 2 13 LYS QB 2 14 GLY H 3.000 . 3.500 2.851 2.768 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
948 2 13 LYS QG 2 14 GLY H 4.000 . 5.000 4.135 3.996 4.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
949 2 14 GLY QA 2 15 GLU H 2.500 . 2.900 2.248 2.224 2.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
950 2 15 GLU H 2 15 GLU QG 4.000 . 5.000 3.334 3.020 3.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
951 2 15 GLU H 2 15 GLU QB 3.000 . 3.500 2.767 2.678 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
952 2 15 GLU HA 2 16 THR H 2.500 . 2.900 2.211 2.154 2.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
953 2 15 GLU HA 2 16 THR HG1 4.000 . 6.000 6.028 6.005 6.153 0.153 18 0 "[ . 1 . 2 . 3 . 4]" 1
954 2 15 GLU QG 2 16 THR H 4.000 . 5.000 4.067 3.926 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
955 2 15 GLU QB 2 16 THR H 3.000 . 3.500 2.881 2.552 3.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
956 2 15 GLU H 2 16 THR H 4.000 . 5.000 4.309 4.212 4.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
957 2 16 THR H 2 16 THR HB 4.000 . 5.000 3.511 3.307 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
958 2 16 THR HA 2 16 THR MG 3.000 . 3.800 3.189 3.181 3.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
959 2 16 THR HA 2 16 THR HG1 4.000 . 5.000 3.238 2.374 3.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
960 2 16 THR H 2 16 THR MG 3.000 . 4.000 2.215 1.957 2.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
961 2 16 THR H 2 16 THR HG1 4.000 . 5.000 4.031 3.972 4.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
962 2 16 THR HB 2 17 THR H 3.000 . 3.500 3.513 3.491 3.634 0.134 18 0 "[ . 1 . 2 . 3 . 4]" 1
963 2 16 THR HA 2 17 THR H 2.500 . 2.900 2.482 2.448 2.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
964 2 16 THR MG 2 17 THR H 3.000 . 4.000 3.753 3.502 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
965 2 16 THR HG1 2 17 THR H 4.000 . 5.000 2.306 1.771 2.420 0.029 18 0 "[ . 1 . 2 . 3 . 4]" 1
966 2 16 THR MG 2 30 VAL QG 3.000 . 4.300 3.321 3.001 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
967 2 16 THR MG 2 34 PHE QE 4.000 . 6.000 3.752 3.577 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
968 2 16 THR MG 2 34 PHE HZ 4.000 . 5.500 2.838 2.547 3.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
969 2 17 THR H 2 17 THR HB 4.000 . 5.000 3.865 3.846 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
970 2 17 THR HA 2 17 THR MG 2.500 . 3.200 2.375 2.263 2.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
971 2 17 THR H 2 17 THR MG 3.000 . 4.000 3.103 3.048 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
972 2 17 THR HB 2 18 THR H 3.000 . 3.500 3.425 3.321 3.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
973 2 17 THR HA 2 18 THR MG 4.000 . 5.500 3.859 3.764 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
974 2 17 THR HA 2 18 THR H 2.500 . 2.900 2.116 2.094 2.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
975 2 17 THR MG 2 18 THR H 3.000 . 4.000 4.010 3.972 4.044 0.044 32 0 "[ . 1 . 2 . 3 . 4]" 1
976 2 17 THR HA 2 30 VAL QG 4.000 . 5.500 5.006 4.703 5.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
977 2 18 THR H 2 18 THR HB 3.000 . 3.500 2.907 2.856 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
978 2 18 THR H 2 18 THR MG 3.000 . 4.000 2.205 2.068 2.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
979 2 18 THR HB 2 19 GLU H 4.000 . 5.000 4.096 4.046 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
980 2 18 THR HA 2 19 GLU H 2.500 . 2.900 2.256 2.206 2.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
981 2 18 THR HA 2 19 GLU QB 4.000 . 5.000 4.039 4.016 4.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
982 2 18 THR MG 2 19 GLU HA 4.000 . 5.500 3.940 3.861 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
983 2 18 THR MG 2 19 GLU H 3.000 . 4.000 3.722 3.660 3.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
984 2 18 THR H 2 19 GLU H 4.000 . 5.000 4.506 4.491 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
985 2 18 THR HG1 2 19 GLU H 3.000 . 3.500 2.672 2.453 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
986 2 18 THR MG 2 20 ALA H 4.000 . 5.500 4.068 3.838 4.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
987 2 18 THR MG 2 20 ALA MB 4.000 . 6.000 3.173 2.835 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
988 2 18 THR MG 2 26 ALA HA 3.000 . 3.800 2.530 2.181 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
989 2 18 THR HG1 2 29 VAL QG 4.000 . 5.500 2.122 1.872 2.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
990 2 18 THR HB 2 30 VAL QG 3.000 . 3.800 2.587 2.286 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
991 2 18 THR H 2 30 VAL QG 4.000 . 5.500 4.053 3.687 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
992 2 19 GLU H 2 19 GLU QG 4.000 . 5.000 4.058 3.966 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
993 2 19 GLU H 2 19 GLU QB 3.000 . 3.500 2.379 2.289 2.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
994 2 19 GLU HA 2 20 ALA MB 4.000 . 5.500 3.998 3.933 4.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
995 2 19 GLU HA 2 20 ALA H 2.500 . 2.900 2.182 2.157 2.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
996 2 19 GLU QG 2 20 ALA H 4.000 . 5.000 3.280 2.963 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
997 2 19 GLU QB 2 20 ALA H 4.000 . 5.000 3.899 3.838 3.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
998 2 19 GLU H 2 20 ALA H 4.000 . 5.000 4.329 4.264 4.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
999 2 20 ALA H 2 20 ALA MB 3.000 . 4.000 2.680 2.581 2.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1000 2 20 ALA MB 2 21 VAL HA 4.000 . 5.500 4.473 4.415 4.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1001 2 20 ALA HA 2 21 VAL H 2.500 . 2.900 2.235 2.209 2.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1002 2 20 ALA MB 2 21 VAL H 3.000 . 3.500 2.703 2.602 2.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1003 2 20 ALA H 2 21 VAL H 4.000 . 5.000 4.353 4.329 4.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1004 2 20 ALA MB 2 22 ASP H 3.000 . 4.000 2.583 2.279 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1005 2 20 ALA H 2 22 ASP H 4.000 . 5.000 4.767 4.530 5.012 0.012 38 0 "[ . 1 . 2 . 3 . 4]" 1
1006 2 20 ALA MB 2 25 THR HB 3.000 . 3.800 2.215 1.944 2.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1007 2 20 ALA MB 2 25 THR H 4.000 . 5.500 3.946 3.798 4.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1008 2 20 ALA MB 2 26 ALA HA 3.000 . 3.800 1.895 1.819 2.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1009 2 20 ALA MB 2 26 ALA MB 3.000 . 3.800 2.096 1.897 2.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1010 2 20 ALA MB 2 26 ALA H 3.000 . 4.000 2.229 2.124 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1011 2 21 VAL HA 2 21 VAL QG 3.000 . 4.000 2.107 2.038 2.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1012 2 21 VAL H 2 21 VAL HB 3.000 . 3.500 2.735 2.711 2.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1013 2 21 VAL H 2 21 VAL QG 3.000 . 4.000 1.957 1.927 2.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1014 2 21 VAL HA 2 22 ASP H 4.000 . 5.000 3.491 3.462 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1015 2 21 VAL HB 2 22 ASP H 3.000 . 3.500 2.863 2.666 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1016 2 21 VAL QG 2 22 ASP H 2.500 . 3.400 3.375 3.290 3.439 0.039 31 0 "[ . 1 . 2 . 3 . 4]" 1
1017 2 21 VAL H 2 22 ASP H 2.500 . 2.900 2.848 2.815 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1018 2 21 VAL QG 2 25 THR HB 3.000 . 3.800 3.824 3.810 3.843 0.043 6 0 "[ . 1 . 2 . 3 . 4]" 1
1019 2 22 ASP H 2 22 ASP QB 3.000 . 3.500 3.231 3.136 3.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1020 2 22 ASP QB 2 23 ALA H 3.000 . 3.500 2.187 2.098 2.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1021 2 22 ASP HA 2 23 ALA H 3.000 . 3.500 2.516 2.444 2.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1022 2 22 ASP H 2 23 ALA H 4.000 . 5.000 4.414 4.392 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1023 2 22 ASP HA 2 24 ALA H 4.000 . 5.000 4.557 4.441 4.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1024 2 22 ASP H 2 24 ALA H 4.000 . 5.000 4.991 4.864 5.027 0.027 7 0 "[ . 1 . 2 . 3 . 4]" 1
1025 2 22 ASP QB 2 24 ALA H 3.000 . 3.500 3.049 2.764 3.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1026 2 22 ASP H 2 25 THR HB 3.000 . 3.500 3.516 3.466 3.566 0.066 19 0 "[ . 1 . 2 . 3 . 4]" 1
1027 2 22 ASP H 2 25 THR MG 3.000 . 3.500 2.942 2.728 3.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1028 2 22 ASP QB 2 25 THR H 4.000 . 5.000 3.776 3.460 3.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1029 2 22 ASP H 2 25 THR H 4.000 . 5.000 3.653 3.505 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1030 2 22 ASP H 2 25 THR HA 4.000 . 5.000 5.028 4.985 5.095 0.095 31 0 "[ . 1 . 2 . 3 . 4]" 1
1031 2 23 ALA H 2 23 ALA MB 3.000 . 4.000 2.103 2.019 2.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1032 2 23 ALA MB 2 24 ALA HA 4.000 . 5.500 3.755 3.695 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1033 2 23 ALA HA 2 24 ALA MB 4.000 . 5.500 5.020 5.008 5.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1034 2 23 ALA H 2 24 ALA MB 4.000 . 5.500 4.387 4.334 4.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1035 2 23 ALA MB 2 24 ALA H 2.500 . 3.400 2.628 2.513 2.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1036 2 23 ALA HA 2 24 ALA H 3.000 . 3.500 3.535 3.524 3.540 0.040 20 0 "[ . 1 . 2 . 3 . 4]" 1
1037 2 23 ALA HA 2 26 ALA H 3.000 . 3.500 3.538 3.522 3.552 0.052 5 0 "[ . 1 . 2 . 3 . 4]" 1
1038 2 23 ALA HA 2 26 ALA MB 2.500 . 3.200 2.382 2.200 2.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1039 2 24 ALA H 2 24 ALA MB 3.000 . 4.000 2.134 2.044 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1040 2 24 ALA HA 2 25 THR H 4.000 . 5.000 3.578 3.568 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1041 2 24 ALA MB 2 25 THR H 3.000 . 4.000 2.384 2.223 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1042 2 24 ALA H 2 25 THR H 2.500 . 2.900 2.787 2.760 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1043 2 24 ALA H 2 26 ALA H 4.000 . 5.000 3.992 3.893 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1044 2 24 ALA HA 2 27 GLU H 3.000 . 3.500 3.301 3.221 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1045 2 24 ALA HA 2 27 GLU QB 3.000 . 3.300 2.343 2.236 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1046 2 24 ALA HA 2 27 GLU HA 4.000 . 5.000 5.077 5.058 5.099 0.099 23 0 "[ . 1 . 2 . 3 . 4]" 1
1047 2 24 ALA MB 2 27 GLU H 4.000 . 5.500 4.497 4.427 4.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1048 2 24 ALA HA 2 28 LYS H 4.000 . 5.000 3.805 3.681 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1049 2 25 THR HA 2 25 THR MG 2.500 . 2.700 2.410 2.306 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1050 2 25 THR H 2 25 THR MG 4.000 . 5.500 2.206 2.068 2.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1051 2 25 THR H 2 25 THR HB 3.000 . 3.500 3.571 3.563 3.582 0.082 35 0 "[ . 1 . 2 . 3 . 4]" 1
1052 2 25 THR H 2 26 ALA HA 4.000 . 6.000 5.351 5.306 5.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1053 2 25 THR HB 2 26 ALA H 3.000 . 3.500 3.521 3.462 3.554 0.054 36 0 "[ . 1 . 2 . 3 . 4]" 1
1054 2 25 THR HA 2 26 ALA H 4.000 . 5.000 3.541 3.526 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1055 2 25 THR MG 2 26 ALA H 4.000 . 5.500 3.879 3.797 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1056 2 25 THR H 2 26 ALA MB 4.000 . 5.500 4.349 4.272 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1057 2 25 THR HB 2 26 ALA MB 4.000 . 6.500 4.757 4.688 4.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1058 2 25 THR H 2 26 ALA H 2.500 . 2.900 2.759 2.702 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1059 2 25 THR HA 2 28 LYS QE 4.000 . 6.000 5.359 5.023 5.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1060 2 25 THR HA 2 28 LYS QD 4.000 . 5.000 4.884 3.657 5.058 0.058 25 0 "[ . 1 . 2 . 3 . 4]" 1
1061 2 25 THR HA 2 28 LYS H 3.000 . 3.500 3.507 3.410 3.543 0.043 39 0 "[ . 1 . 2 . 3 . 4]" 1
1062 2 25 THR HA 2 28 LYS QB 2.500 . 2.700 2.657 2.540 2.719 0.019 27 0 "[ . 1 . 2 . 3 . 4]" 1
1063 2 25 THR H 2 28 LYS QB 4.000 . 5.000 4.922 4.775 5.012 0.012 33 0 "[ . 1 . 2 . 3 . 4]" 1
1064 2 26 ALA H 2 26 ALA MB 3.000 . 4.000 2.125 2.032 2.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1065 2 26 ALA H 2 27 GLU H 3.000 . 3.500 2.753 2.709 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1066 2 26 ALA MB 2 27 GLU H 2.500 . 3.400 2.410 2.256 2.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1067 2 26 ALA HA 2 27 GLU H 4.000 . 5.000 3.575 3.565 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1068 2 26 ALA H 2 28 LYS H 4.000 . 5.000 4.149 4.072 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1069 2 26 ALA HA 2 29 VAL H 3.000 . 3.500 3.431 3.331 3.506 0.006 27 0 "[ . 1 . 2 . 3 . 4]" 1
1070 2 26 ALA HA 2 29 VAL HB 3.000 . 3.300 2.592 2.410 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1071 2 26 ALA HA 2 30 VAL H 4.000 . 6.000 4.111 3.730 4.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1072 2 26 ALA HA 2 30 VAL QG 4.000 . 5.500 3.771 3.345 4.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1073 2 27 GLU HA 2 27 GLU QG 3.000 . 3.300 2.559 2.367 3.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1074 2 27 GLU H 2 27 GLU QB 3.000 . 3.500 2.225 2.176 2.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1075 2 27 GLU H 2 27 GLU QG 4.000 . 5.000 3.969 3.927 4.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1076 2 27 GLU HA 2 28 LYS H 4.000 . 5.000 3.554 3.542 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1077 2 27 GLU H 2 28 LYS QB 4.000 . 5.000 4.816 4.663 4.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1078 2 27 GLU QB 2 28 LYS H 3.000 . 3.500 2.418 2.336 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1079 2 27 GLU QG 2 28 LYS H 4.000 . 5.000 3.587 3.251 4.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1080 2 27 GLU H 2 28 LYS H 2.500 . 2.900 2.852 2.752 2.914 0.014 27 0 "[ . 1 . 2 . 3 . 4]" 1
1081 2 27 GLU H 2 29 VAL H 4.000 . 5.000 4.223 4.119 4.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1082 2 27 GLU HA 2 29 VAL H 4.000 . 6.000 4.558 4.298 4.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1083 2 27 GLU HA 2 30 VAL H 4.000 . 5.000 3.548 3.383 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1084 2 27 GLU HA 2 30 VAL QG 4.000 . 5.500 2.534 2.023 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1085 2 27 GLU HA 2 30 VAL HB 4.000 . 5.000 3.024 2.768 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1086 2 27 GLU QG 2 30 VAL H 4.000 . 6.000 4.962 4.604 5.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1087 2 27 GLU QB 2 30 VAL H 4.000 . 5.000 4.975 4.869 5.031 0.031 1 0 "[ . 1 . 2 . 3 . 4]" 1
1088 2 27 GLU HA 2 31 LYS H 4.000 . 5.000 4.206 3.845 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1089 2 27 GLU QG 2 31 LYS HA 4.000 . 6.000 5.564 5.097 6.057 0.057 28 0 "[ . 1 . 2 . 3 . 4]" 1
1090 2 27 GLU QG 2 31 LYS QE 4.000 . 6.000 3.271 1.799 5.544 0.001 24 0 "[ . 1 . 2 . 3 . 4]" 1
1091 2 27 GLU QB 2 31 LYS QD 4.000 . 5.000 4.552 3.888 5.110 0.110 34 0 "[ . 1 . 2 . 3 . 4]" 1
1092 2 28 LYS HA 2 28 LYS QG 3.000 . 3.300 2.921 2.542 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1093 2 28 LYS H 2 28 LYS QB 3.000 . 3.500 2.422 2.242 2.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1094 2 28 LYS H 2 28 LYS QG 4.000 . 5.000 2.355 2.170 3.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1095 2 28 LYS HA 2 29 VAL H 4.000 . 5.000 3.542 3.516 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1096 2 28 LYS QB 2 29 VAL H 2.500 . 2.900 2.494 2.378 2.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1097 2 28 LYS QB 2 29 VAL QG 4.000 . 5.500 3.114 3.013 3.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1098 2 28 LYS QD 2 29 VAL H 4.000 . 5.000 4.643 4.100 4.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1099 2 28 LYS H 2 29 VAL QG 4.000 . 6.500 4.105 4.047 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1100 2 28 LYS QG 2 29 VAL H 4.000 . 5.000 4.061 3.910 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1101 2 28 LYS H 2 29 VAL H 2.500 . 2.900 2.679 2.630 2.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1102 2 28 LYS H 2 30 VAL H 4.000 . 5.000 4.078 3.972 4.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1103 2 28 LYS HA 2 31 LYS H 3.000 . 3.500 3.273 2.917 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1104 2 28 LYS HA 2 31 LYS QG 4.000 . 5.000 2.863 1.892 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1105 2 28 LYS QD 2 31 LYS HA 4.000 . 6.000 6.041 6.012 6.084 0.084 28 0 "[ . 1 . 2 . 3 . 4]" 1
1106 2 28 LYS QB 2 32 GLN H 4.000 . 6.000 4.686 4.444 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1107 2 29 VAL HA 2 29 VAL QG 3.000 . 4.000 2.119 2.078 2.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1108 2 29 VAL H 2 29 VAL HB 3.000 . 3.500 2.547 2.431 2.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1109 2 29 VAL H 2 29 VAL QG 3.000 . 4.000 2.141 2.037 2.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1110 2 29 VAL HB 2 30 VAL H 3.000 . 3.500 2.634 2.557 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1111 2 29 VAL QG 2 30 VAL H 4.000 . 5.500 3.232 3.110 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1112 2 29 VAL QG 2 30 VAL HB 4.000 . 5.500 4.970 4.786 5.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1113 2 29 VAL HA 2 30 VAL H 3.000 . 3.500 3.521 3.497 3.536 0.036 11 0 "[ . 1 . 2 . 3 . 4]" 1
1114 2 29 VAL H 2 30 VAL H 2.500 . 2.900 2.703 2.610 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1115 2 29 VAL HA 2 32 GLN QG 4.000 . 6.000 4.482 4.112 4.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1116 2 29 VAL HA 2 32 GLN H 3.000 . 3.500 3.558 3.523 3.614 0.114 11 0 "[ . 1 . 2 . 3 . 4]" 1
1117 2 29 VAL HA 2 32 GLN QB 3.000 . 3.300 2.906 2.711 3.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1118 2 29 VAL HA 2 33 PHE H 4.000 . 6.000 4.346 4.129 4.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1119 2 30 VAL HA 2 30 VAL QG 2.500 . 3.200 2.164 2.122 2.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1120 2 30 VAL H 2 30 VAL QG 3.000 . 4.000 2.073 1.963 2.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1121 2 30 VAL H 2 30 VAL HB 3.000 . 3.500 2.593 2.502 2.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1122 2 30 VAL H 2 31 LYS H 3.000 . 3.500 2.654 2.596 2.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1123 2 30 VAL HA 2 31 LYS H 4.000 . 5.000 3.579 3.570 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1124 2 30 VAL QG 2 31 LYS HA 4.000 . 6.500 3.616 3.415 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1125 2 30 VAL HB 2 31 LYS H 3.000 . 3.500 2.453 2.385 2.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1126 2 30 VAL QG 2 31 LYS H 4.000 . 5.500 3.189 3.101 3.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1127 2 30 VAL HA 2 33 PHE H 3.000 . 3.500 3.166 3.031 3.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1128 2 30 VAL HA 2 33 PHE QB 4.000 . 5.000 2.242 1.991 2.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1129 2 30 VAL HA 2 33 PHE QD 4.000 . 5.500 4.045 3.752 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1130 2 30 VAL QG 2 33 PHE H 4.000 . 5.500 4.016 3.912 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1131 2 30 VAL QG 2 33 PHE QD 4.000 . 6.500 3.387 3.141 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1132 2 30 VAL HA 2 34 PHE H 4.000 . 6.000 4.163 3.824 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1133 2 30 VAL QG 2 34 PHE QD 4.000 . 6.000 2.575 2.119 3.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1134 2 30 VAL QG 2 34 PHE HZ 4.000 . 5.500 3.255 3.065 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1135 2 30 VAL QG 2 34 PHE QE 4.000 . 6.000 2.040 1.906 2.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1136 2 31 LYS HA 2 31 LYS QD 4.000 . 5.000 3.067 1.819 4.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1137 2 31 LYS HA 2 31 LYS QE 4.000 . 6.000 4.072 2.575 4.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1138 2 31 LYS QB 2 31 LYS QE 4.000 . 5.000 3.249 1.920 3.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1139 2 31 LYS H 2 31 LYS QB 3.000 . 3.500 2.442 2.318 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1140 2 31 LYS QB 2 31 LYS QD 3.000 . 3.300 2.341 2.099 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1141 2 31 LYS H 2 31 LYS QD 4.000 . 5.000 3.132 1.854 4.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1142 2 31 LYS H 2 31 LYS QG 4.000 . 5.000 2.529 1.986 3.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1143 2 31 LYS H 2 32 GLN H 3.000 . 3.500 2.854 2.784 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1144 2 31 LYS QG 2 32 GLN HA 4.000 . 6.000 5.706 5.600 5.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1145 2 31 LYS QB 2 32 GLN HA 4.000 . 5.000 3.825 3.740 3.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1146 2 31 LYS QB 2 32 GLN H 3.000 . 3.500 2.444 2.254 2.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1147 2 31 LYS QD 2 32 GLN H 4.000 . 5.500 4.552 4.016 4.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1148 2 31 LYS HA 2 32 GLN H 3.000 . 3.500 3.532 3.516 3.557 0.057 2 0 "[ . 1 . 2 . 3 . 4]" 1
1149 2 31 LYS QD 2 32 GLN QE 4.000 . 6.500 6.352 5.696 6.638 0.138 27 0 "[ . 1 . 2 . 3 . 4]" 1
1150 2 31 LYS HA 2 33 PHE H 4.000 . 5.000 4.271 4.136 4.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1151 2 31 LYS HA 2 34 PHE QB 4.000 . 5.000 3.418 3.234 3.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1152 2 31 LYS HA 2 34 PHE QD 4.000 . 5.500 3.406 3.023 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1153 2 31 LYS HA 2 34 PHE H 4.000 . 5.000 3.742 3.561 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1154 2 31 LYS HA 2 35 ASN H 4.000 . 6.000 3.729 3.600 3.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1155 2 31 LYS QG 2 35 ASN QD 4.000 . 5.500 5.510 5.096 5.577 0.077 36 0 "[ . 1 . 2 . 3 . 4]" 1
1156 2 31 LYS QB 2 35 ASN QD 4.000 . 6.000 3.935 3.722 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1157 2 32 GLN HA 2 32 GLN QG 3.000 . 3.300 2.793 2.253 2.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1158 2 32 GLN H 2 32 GLN QG 4.000 . 5.000 4.037 3.903 4.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1159 2 32 GLN H 2 32 GLN QB 2.500 . 2.900 2.241 2.162 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1160 2 32 GLN HA 2 32 GLN QE 4.000 . 6.000 2.524 1.817 4.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1161 2 32 GLN QB 2 33 PHE HA 4.000 . 6.000 4.104 3.910 4.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1162 2 32 GLN HA 2 33 PHE H 4.000 . 5.000 3.498 3.487 3.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1163 2 32 GLN QB 2 33 PHE H 3.000 . 3.500 2.638 2.557 2.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1164 2 32 GLN QG 2 33 PHE H 4.000 . 5.500 3.845 3.633 4.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1165 2 32 GLN H 2 33 PHE H 3.000 . 3.500 2.580 2.414 2.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1166 2 32 GLN HA 2 35 ASN H 3.000 . 3.500 3.486 3.074 3.543 0.043 28 0 "[ . 1 . 2 . 3 . 4]" 1
1167 2 32 GLN HA 2 35 ASN QD 4.000 . 5.000 3.760 3.242 4.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1168 2 32 GLN HA 2 35 ASN QB 3.000 . 3.300 1.959 1.772 2.127 0.028 24 0 "[ . 1 . 2 . 3 . 4]" 1
1169 2 32 GLN QE 2 35 ASN QB 4.000 . 5.000 3.574 1.922 5.112 0.112 24 0 "[ . 1 . 2 . 3 . 4]" 1
1170 2 32 GLN HA 2 36 ASP H 4.000 . 5.000 3.805 3.699 3.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1171 2 33 PHE HA 2 33 PHE QD 3.000 . 3.800 2.539 2.212 2.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1172 2 33 PHE H 2 33 PHE QB 3.000 . 3.500 2.193 2.173 2.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1173 2 33 PHE H 2 33 PHE QD 4.000 . 5.500 4.094 4.052 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1174 2 33 PHE HA 2 34 PHE H 4.000 . 5.000 3.537 3.521 3.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1175 2 33 PHE QB 2 34 PHE H 3.000 . 3.500 2.055 1.833 2.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1176 2 33 PHE H 2 34 PHE H 3.000 . 3.500 2.941 2.791 3.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1177 2 33 PHE QD 2 34 PHE QD 3.000 . 4.300 3.039 2.857 3.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1178 2 33 PHE HA 2 36 ASP QB 4.000 . 5.000 3.545 3.425 3.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1179 2 33 PHE HA 2 36 ASP H 4.000 . 5.000 3.969 3.837 4.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1180 2 33 PHE HA 2 37 ASN QB 4.000 . 5.000 4.992 4.896 5.040 0.040 37 0 "[ . 1 . 2 . 3 . 4]" 1
1181 2 33 PHE HA 2 37 ASN QD 4.000 . 5.000 3.217 3.062 3.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1182 2 33 PHE HA 2 37 ASN H 4.000 . 5.000 4.355 4.244 4.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1183 2 33 PHE QD 2 37 ASN H 4.000 . 6.000 5.311 5.223 5.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1184 2 33 PHE QD 2 37 ASN QD 4.000 . 5.500 2.427 2.336 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1185 2 33 PHE QE 2 37 ASN QD 4.000 . 6.500 2.725 2.597 2.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1186 2 33 PHE QD 2 54 VAL QG 4.000 . 6.000 4.988 4.579 5.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1187 2 33 PHE QE 2 54 VAL QG 4.000 . 6.000 4.156 3.720 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1188 2 33 PHE QD 2 56 GLU QB 4.000 . 5.500 3.073 2.678 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1189 2 33 PHE QE 2 56 GLU QB 4.000 . 5.500 3.249 2.632 3.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1190 2 33 PHE HZ 2 56 GLU QB 4.000 . 5.000 4.986 4.671 5.077 0.077 23 0 "[ . 1 . 2 . 3 . 4]" 1
1191 2 33 PHE QD 2 56 GLU H 4.000 . 5.500 4.991 4.714 5.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1192 2 33 PHE QE 2 56 GLU H 4.000 . 5.500 3.932 3.409 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1193 2 34 PHE H 2 34 PHE QB 2.500 . 2.900 2.459 2.405 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1194 2 34 PHE HA 2 35 ASN H 3.000 . 3.500 3.513 3.484 3.530 0.030 16 0 "[ . 1 . 2 . 3 . 4]" 1
1195 2 34 PHE QB 2 35 ASN HA 4.000 . 6.000 3.950 3.909 3.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1196 2 34 PHE QB 2 35 ASN QB 4.000 . 6.000 4.109 4.052 4.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1197 2 34 PHE QB 2 35 ASN H 3.000 . 3.500 2.641 2.581 2.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1198 2 34 PHE H 2 35 ASN H 3.000 . 3.500 2.561 2.397 2.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1199 2 34 PHE HA 2 37 ASN H 4.000 . 5.000 2.791 2.750 2.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1200 2 34 PHE HA 2 37 ASN QB 4.000 . 6.000 1.976 1.929 2.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1201 2 34 PHE HZ 2 37 ASN QD 4.000 . 5.000 5.091 5.046 5.124 0.124 7 0 "[ . 1 . 2 . 3 . 4]" 1
1202 2 35 ASN HA 2 35 ASN QD 4.000 . 5.000 3.505 3.356 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1203 2 35 ASN H 2 35 ASN HB3 3.000 . 3.500 2.551 2.465 2.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1204 2 35 ASN H 2 35 ASN HB2 3.000 . 3.500 2.469 2.319 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1205 2 35 ASN H 2 35 ASN QD 4.000 . 6.000 4.393 4.226 4.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1206 2 35 ASN QB 2 36 ASP H 3.000 . 3.500 2.534 2.445 2.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1207 2 35 ASN H 2 36 ASP H 3.000 . 3.500 2.710 2.670 2.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1208 2 35 ASN QD 2 36 ASP H 4.000 . 5.000 5.083 5.061 5.107 0.107 11 0 "[ . 1 . 2 . 3 . 4]" 1
1209 2 35 ASN H 2 37 ASN H 4.000 . 5.000 3.904 3.861 4.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1210 2 36 ASP H 2 36 ASP QB 2.500 . 2.900 2.443 2.412 2.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1211 2 36 ASP HA 2 37 ASN H 3.000 . 3.500 3.487 3.470 3.509 0.009 19 0 "[ . 1 . 2 . 3 . 4]" 1
1212 2 36 ASP QB 2 37 ASN QD 4.000 . 6.000 4.537 4.404 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1213 2 36 ASP QB 2 37 ASN H 3.000 . 3.500 3.007 2.944 3.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1214 2 36 ASP H 2 37 ASN H 3.000 . 3.500 2.312 2.288 2.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1215 2 36 ASP H 2 37 ASN QD 4.000 . 5.000 4.702 4.550 4.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1216 2 36 ASP H 2 38 GLY H 4.000 . 5.000 4.035 3.928 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1217 2 36 ASP QB 2 38 GLY H 4.000 . 6.000 4.978 4.849 5.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1218 2 36 ASP HA 2 39 VAL H 4.000 . 6.000 6.056 5.969 6.098 0.098 8 0 "[ . 1 . 2 . 3 . 4]" 1
1219 2 37 ASN H 2 37 ASN QB 3.000 . 3.500 2.422 2.376 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1220 2 37 ASN QB 2 38 GLY H 4.000 . 5.000 2.441 2.381 2.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1221 2 37 ASN H 2 38 GLY H 2.500 . 2.900 2.380 2.355 2.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1222 2 37 ASN HA 2 38 GLY H 4.000 . 5.000 3.506 3.478 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1223 2 37 ASN QD 2 38 GLY H 4.000 . 6.000 4.323 4.211 4.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1224 2 37 ASN QB 2 43 TRP HE1 4.000 . 5.000 3.640 2.655 4.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1225 2 37 ASN QB 2 54 VAL QG 4.000 . 5.500 2.260 1.966 2.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1226 2 37 ASN QD 2 54 VAL QG 4.000 . 6.500 3.222 2.845 3.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1227 2 37 ASN QD 2 56 GLU HA 4.000 . 5.000 4.552 3.117 5.015 0.015 18 0 "[ . 1 . 2 . 3 . 4]" 1
1228 2 37 ASN QD 2 56 GLU QG 4.000 . 5.500 4.674 3.214 5.547 0.047 39 0 "[ . 1 . 2 . 3 . 4]" 1
1229 2 38 GLY QA 2 39 VAL H 3.000 . 3.500 2.079 2.058 2.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1230 2 38 GLY QA 2 40 ASP H 4.000 . 5.000 3.916 3.535 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1231 2 38 GLY QA 2 43 TRP HE1 4.000 . 6.000 5.071 4.844 5.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1232 2 38 GLY QA 2 43 TRP HZ2 4.000 . 6.000 4.095 3.852 4.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1233 2 38 GLY QA 2 54 VAL QG 4.000 . 6.500 5.247 4.911 5.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1234 2 39 VAL HA 2 39 VAL QG 2.500 . 3.200 2.067 2.024 2.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1235 2 39 VAL H 2 39 VAL HB 2.500 . 2.900 2.523 2.378 2.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1236 2 39 VAL H 2 39 VAL QG 3.000 . 4.000 2.342 2.205 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1237 2 39 VAL HA 2 40 ASP H 3.000 . 3.500 3.444 3.284 3.627 0.127 6 0 "[ . 1 . 2 . 3 . 4]" 1
1238 2 39 VAL HB 2 40 ASP H 3.000 . 3.500 3.132 2.376 3.646 0.146 24 0 "[ . 1 . 2 . 3 . 4]" 1
1239 2 39 VAL QG 2 40 ASP H 3.000 . 4.000 3.404 2.942 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1240 2 39 VAL H 2 40 ASP QB 4.000 . 6.000 4.578 4.243 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1241 2 39 VAL H 2 40 ASP H 3.000 . 3.500 2.610 2.391 2.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1242 2 39 VAL QG 2 41 GLY H 4.000 . 5.500 4.446 4.208 4.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1243 2 40 ASP H 2 40 ASP QB 3.000 . 3.500 2.521 2.386 2.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1244 2 40 ASP HA 2 41 GLY H 3.000 . 3.500 3.091 2.972 3.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1245 2 40 ASP QB 2 41 GLY H 4.000 . 5.000 3.680 3.515 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1246 2 40 ASP H 2 41 GLY H 3.000 . 3.500 2.512 2.027 3.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1247 2 41 GLY QA 2 42 GLU H 2.500 . 2.900 2.245 2.149 2.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1248 2 41 GLY H 2 42 GLU H 4.000 . 5.000 4.597 4.527 4.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1249 2 41 GLY QA 2 43 TRP HD1 4.000 . 6.000 3.142 2.805 3.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1250 2 41 GLY QA 2 43 TRP HE1 4.000 . 5.000 2.520 1.879 3.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1251 2 41 GLY H 2 43 TRP HE1 4.000 . 5.000 3.077 2.641 3.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1252 2 42 GLU H 2 42 GLU QG 4.000 . 5.000 2.678 2.282 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1253 2 42 GLU H 2 42 GLU QB 3.000 . 3.500 2.456 2.334 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1254 2 42 GLU HA 2 43 TRP H 2.500 . 2.900 2.204 2.138 2.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1255 2 42 GLU QG 2 43 TRP H 4.000 . 5.000 4.519 4.196 4.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1256 2 42 GLU HA 2 43 TRP QB 4.000 . 6.000 4.510 4.413 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1257 2 42 GLU QB 2 43 TRP H 4.000 . 5.000 3.632 3.296 3.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1258 2 42 GLU H 2 54 VAL QG 4.000 . 5.500 3.844 3.558 4.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1259 2 42 GLU QB 2 55 THR HB 4.000 . 5.000 3.342 2.619 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1260 2 42 GLU QB 2 55 THR H 4.000 . 5.000 3.711 3.189 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1261 2 43 TRP H 2 43 TRP QB 2.500 . 2.900 2.482 2.371 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1262 2 43 TRP HA 2 44 THR H 2.500 . 2.900 2.153 2.131 2.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1263 2 43 TRP HA 2 44 THR MG 4.000 . 6.500 3.906 3.640 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1264 2 43 TRP QB 2 44 THR H 3.000 . 3.500 3.228 2.726 3.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1265 2 43 TRP HD1 2 44 THR H 4.000 . 6.000 5.192 4.882 5.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1266 2 43 TRP HE3 2 44 THR H 4.000 . 6.000 5.580 5.183 5.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1267 2 43 TRP HA 2 52 PHE QD 4.000 . 6.500 5.966 5.466 6.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1268 2 43 TRP QB 2 52 PHE QD 4.000 . 5.500 3.902 3.519 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1269 2 43 TRP HZ3 2 52 PHE QD 4.000 . 5.500 5.075 4.696 5.507 0.007 8 0 "[ . 1 . 2 . 3 . 4]" 1
1270 2 43 TRP HZ3 2 52 PHE QE 4.000 . 6.500 6.073 5.759 6.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1271 2 43 TRP HA 2 54 VAL HA 3.000 . 3.300 2.564 2.248 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1272 2 43 TRP QB 2 54 VAL HA 4.000 . 5.000 4.075 2.937 4.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1273 2 43 TRP HA 2 54 VAL QG 4.000 . 5.500 2.986 2.407 3.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1274 2 43 TRP QB 2 54 VAL QG 4.000 . 5.500 3.073 2.352 3.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1275 2 43 TRP HE1 2 54 VAL QG 4.000 . 5.500 2.811 2.030 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1276 2 43 TRP HZ2 2 54 VAL QG 4.000 . 5.500 3.395 2.876 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1277 2 43 TRP HZ3 2 54 VAL QG 4.000 . 6.500 3.871 2.961 4.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1278 2 43 TRP HE3 2 54 VAL QG 4.000 . 5.500 3.316 2.655 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1279 2 43 TRP HD1 2 54 VAL QG 4.000 . 5.500 3.059 2.066 3.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1280 2 43 TRP HH2 2 54 VAL QG 4.000 . 6.500 3.936 3.232 4.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1281 2 43 TRP HA 2 55 THR H 4.000 . 5.000 3.579 2.859 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1282 2 44 THR H 2 44 THR HB 4.000 . 5.000 3.706 3.672 3.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1283 2 44 THR H 2 44 THR MG 3.000 . 4.000 2.819 2.618 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1284 2 44 THR HA 2 44 THR MG 2.500 . 3.200 2.344 2.256 2.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1285 2 44 THR HA 2 45 TYR H 2.500 . 2.900 2.231 2.192 2.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1286 2 44 THR MG 2 45 TYR H 3.000 . 4.000 3.941 3.838 3.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1287 2 44 THR HB 2 45 TYR H 3.000 . 3.500 3.085 2.856 3.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1288 2 44 THR H 2 52 PHE HA 4.000 . 6.000 5.005 4.611 5.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1289 2 44 THR HB 2 53 THR H 4.000 . 5.000 4.719 4.419 5.003 0.003 19 0 "[ . 1 . 2 . 3 . 4]" 1
1290 2 44 THR MG 2 53 THR HB 4.000 . 5.500 4.801 4.513 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1291 2 44 THR MG 2 53 THR H 4.000 . 5.500 5.004 4.707 5.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1292 2 44 THR H 2 53 THR H 4.000 . 5.000 3.411 2.687 4.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1293 2 44 THR H 2 53 THR HB 4.000 . 5.000 4.456 4.069 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1294 2 44 THR H 2 53 THR MG 4.000 . 6.500 5.179 4.813 5.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1295 2 44 THR H 2 54 VAL HA 4.000 . 5.000 3.476 2.814 3.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1296 2 44 THR H 2 54 VAL QG 4.000 . 5.500 3.959 3.418 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1297 2 44 THR H 2 55 THR H 4.000 . 5.000 4.235 3.615 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1298 2 45 TYR H 2 45 TYR QB 3.000 . 3.500 2.416 2.355 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1299 2 45 TYR HA 2 46 ASP H 2.500 . 2.900 2.216 2.190 2.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1300 2 45 TYR QE 2 46 ASP H 4.000 . 5.500 3.483 3.437 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1301 2 45 TYR QB 2 46 ASP H 4.000 . 5.000 3.561 3.502 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1302 2 45 TYR H 2 46 ASP H 4.000 . 5.000 4.511 4.489 4.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1303 2 45 TYR QE 2 47 ASP HA 3.000 . 3.800 3.229 2.787 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1304 2 45 TYR QE 2 47 ASP QB 4.000 . 5.500 3.923 3.406 4.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1305 2 45 TYR QE 2 47 ASP H 4.000 . 5.500 4.196 3.815 4.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1306 2 45 TYR QE 2 50 LYS HA 3.000 . 3.800 2.621 2.105 3.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1307 2 45 TYR QE 2 50 LYS H 4.000 . 5.500 4.278 4.009 4.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1308 2 45 TYR QE 2 51 THR H 4.000 . 5.500 3.113 2.749 3.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1309 2 45 TYR HA 2 52 PHE HA 3.000 . 3.300 2.237 2.069 2.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1310 2 45 TYR QB 2 52 PHE HA 4.000 . 5.000 3.954 3.689 4.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1311 2 45 TYR QB 2 52 PHE QE 3.000 . 3.800 3.212 2.523 3.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1312 2 45 TYR QB 2 52 PHE QD 3.000 . 3.800 2.732 2.143 3.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1313 2 45 TYR H 2 52 PHE HA 4.000 . 5.000 4.907 4.695 5.020 0.020 16 0 "[ . 1 . 2 . 3 . 4]" 1
1314 2 45 TYR HA 2 53 THR H 3.000 . 3.500 3.289 2.850 3.517 0.017 13 0 "[ . 1 . 2 . 3 . 4]" 1
1315 2 46 ASP H 2 46 ASP QB 3.000 . 3.500 2.513 2.504 2.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1316 2 46 ASP HA 2 47 ASP H 2.500 . 2.900 2.313 2.285 2.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1317 2 46 ASP QB 2 47 ASP H 4.000 . 5.000 4.043 4.034 4.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1318 2 46 ASP HA 2 47 ASP QB 4.000 . 5.000 4.418 4.393 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1319 2 46 ASP H 2 47 ASP H 4.000 . 5.000 3.655 3.610 3.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1320 2 46 ASP HA 2 48 ALA H 4.000 . 5.000 3.511 3.463 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1321 2 46 ASP QB 2 48 ALA H 4.000 . 5.000 4.321 4.234 4.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1322 2 46 ASP QB 2 49 THR H 4.000 . 5.000 3.481 3.342 3.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1323 2 46 ASP QB 2 51 THR HB 4.000 . 5.000 2.902 2.241 3.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1324 2 46 ASP QB 2 51 THR H 3.000 . 3.500 3.016 2.611 3.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1325 2 46 ASP QB 2 51 THR MG 4.000 . 5.500 3.856 3.356 4.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1326 2 46 ASP H 2 51 THR MG 4.000 . 5.500 4.721 4.355 4.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1327 2 46 ASP H 2 51 THR HB 4.000 . 5.000 4.391 4.007 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1328 2 46 ASP H 2 51 THR H 3.000 . 3.500 3.480 3.269 3.538 0.038 29 0 "[ . 1 . 2 . 3 . 4]" 1
1329 2 46 ASP H 2 52 PHE HA 3.000 . 3.500 3.117 2.881 3.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1330 2 46 ASP H 2 53 THR H 4.000 . 5.000 4.509 3.661 4.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1331 2 47 ASP H 2 47 ASP HA 2.500 . 2.900 2.732 2.721 2.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1332 2 47 ASP H 2 47 ASP QB 3.000 . 3.500 2.559 2.530 2.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1333 2 47 ASP HA 2 48 ALA H 4.000 . 5.000 3.517 3.504 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1334 2 47 ASP QB 2 48 ALA H 3.000 . 3.500 2.668 2.603 2.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1335 2 47 ASP QB 2 48 ALA MB 4.000 . 6.500 3.988 3.910 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1336 2 47 ASP H 2 48 ALA MB 4.000 . 6.500 4.446 4.368 4.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1337 2 47 ASP H 2 48 ALA H 3.000 . 3.700 2.874 2.826 2.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1338 2 47 ASP HA 2 49 THR H 4.000 . 5.000 3.924 3.801 4.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1339 2 47 ASP H 2 49 THR H 4.000 . 5.000 4.461 4.347 4.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1340 2 47 ASP HA 2 50 LYS H 4.000 . 5.000 2.939 2.851 3.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1341 2 47 ASP HA 2 50 LYS QD 4.000 . 5.000 3.855 2.897 5.013 0.013 36 0 "[ . 1 . 2 . 3 . 4]" 1
1342 2 48 ALA H 2 48 ALA HA 2.500 . 2.900 2.741 2.732 2.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1343 2 48 ALA H 2 48 ALA MB 3.000 . 4.000 2.117 2.039 2.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1344 2 48 ALA H 2 49 THR HA 4.000 . 6.000 5.416 5.372 5.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1345 2 48 ALA MB 2 49 THR HA 4.000 . 5.500 4.083 3.982 4.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1346 2 48 ALA HA 2 49 THR H 3.000 . 3.500 3.513 3.496 3.524 0.024 39 0 "[ . 1 . 2 . 3 . 4]" 1
1347 2 48 ALA MB 2 49 THR H 3.000 . 4.000 2.782 2.669 2.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1348 2 48 ALA H 2 49 THR MG 4.000 . 5.500 4.687 4.542 4.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1349 2 48 ALA H 2 49 THR H 2.500 . 2.900 2.860 2.775 2.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1350 2 48 ALA HA 2 50 LYS H 4.000 . 5.000 4.318 4.157 4.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1351 2 48 ALA MB 2 50 LYS H 4.000 . 5.500 4.393 4.317 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1352 2 48 ALA H 2 50 LYS H 4.000 . 5.000 3.974 3.886 4.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1353 2 49 THR HA 2 49 THR MG 2.500 . 3.200 2.379 2.295 2.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1354 2 49 THR H 2 49 THR MG 3.000 . 4.000 2.937 2.807 3.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1355 2 49 THR HB 2 50 LYS H 4.000 . 6.000 4.398 4.357 4.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1356 2 49 THR HA 2 50 LYS H 3.000 . 3.500 3.136 3.095 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1357 2 49 THR MG 2 50 LYS H 4.000 . 5.500 4.306 4.254 4.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1358 2 49 THR H 2 50 LYS H 2.500 . 2.900 2.170 2.088 2.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1359 2 49 THR H 2 51 THR H 4.000 . 5.000 3.249 3.094 3.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1360 2 49 THR H 2 51 THR HB 4.000 . 6.000 4.554 4.272 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1361 2 50 LYS HA 2 50 LYS QG 3.000 . 3.300 2.620 2.272 3.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1362 2 50 LYS HA 2 50 LYS QD 3.000 . 3.300 2.651 2.049 3.403 0.103 14 0 "[ . 1 . 2 . 3 . 4]" 1
1363 2 50 LYS H 2 50 LYS QG 3.000 . 3.500 2.735 2.563 3.559 0.059 34 0 "[ . 1 . 2 . 3 . 4]" 1
1364 2 50 LYS H 2 50 LYS QD 4.000 . 5.000 3.689 2.157 4.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1365 2 50 LYS HA 2 51 THR H 2.500 . 2.900 2.880 2.813 2.941 0.041 34 0 "[ . 1 . 2 . 3 . 4]" 1
1366 2 50 LYS H 2 51 THR HB 4.000 . 6.000 4.975 4.840 5.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1367 2 50 LYS H 2 51 THR H 2.500 . 2.900 2.788 2.673 2.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1368 2 50 LYS QB 2 51 THR H 4.000 . 5.000 3.807 3.746 3.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1369 2 50 LYS QD 2 51 THR H 4.000 . 6.000 5.125 4.408 5.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1370 2 50 LYS QG 2 51 THR H 4.000 . 5.000 4.623 4.444 4.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1371 2 51 THR H 2 51 THR HB 2.500 . 2.900 2.571 2.463 2.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1372 2 51 THR HA 2 51 THR HG1 4.000 . 5.000 2.949 2.303 3.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1373 2 51 THR HA 2 51 THR MG 2.500 . 3.200 2.447 2.383 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1374 2 51 THR H 2 51 THR MG 3.000 . 4.000 3.836 3.786 3.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1375 2 51 THR H 2 51 THR HG1 4.000 . 5.000 3.275 2.448 4.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1376 2 51 THR HB 2 52 PHE H 4.000 . 5.000 3.987 3.776 4.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1377 2 51 THR HA 2 52 PHE QD 4.000 . 5.500 2.885 2.570 3.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1378 2 51 THR HA 2 52 PHE H 2.500 . 2.900 2.214 2.145 2.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1379 2 51 THR HA 2 52 PHE QB 4.000 . 6.000 4.437 4.347 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1380 2 51 THR MG 2 52 PHE HA 4.000 . 5.500 3.750 3.545 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1381 2 51 THR MG 2 52 PHE H 3.000 . 4.000 2.093 1.885 2.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1382 2 51 THR H 2 52 PHE H 4.000 . 5.000 4.463 4.397 4.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1383 2 51 THR H 2 52 PHE HA 4.000 . 6.000 4.981 4.861 5.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1384 2 52 PHE HA 2 52 PHE QD 4.000 . 5.500 3.177 2.640 3.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1385 2 52 PHE H 2 52 PHE QB 3.000 . 3.500 2.579 2.457 2.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1386 2 52 PHE QB 2 52 PHE QE 4.000 . 6.500 3.928 3.920 3.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1387 2 52 PHE H 2 52 PHE QE 4.000 . 6.500 4.390 4.153 4.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1388 2 52 PHE H 2 52 PHE QD 3.000 . 4.000 2.178 1.881 3.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1389 2 52 PHE HA 2 53 THR HB 4.000 . 6.000 5.670 5.652 5.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1390 2 52 PHE HA 2 53 THR H 2.500 . 2.900 2.227 2.124 2.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1391 2 52 PHE QB 2 53 THR H 3.000 . 3.500 3.070 2.747 3.619 0.119 26 0 "[ . 1 . 2 . 3 . 4]" 1
1392 2 52 PHE H 2 53 THR H 4.000 . 5.000 4.361 3.804 4.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1393 2 52 PHE QD 2 53 THR H 4.000 . 5.500 4.478 4.071 4.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1394 2 52 PHE QB 2 54 VAL QG 4.000 . 6.500 3.408 2.969 3.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1395 2 53 THR H 2 53 THR HB 4.000 . 5.000 3.651 3.587 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1396 2 53 THR H 2 53 THR MG 4.000 . 5.500 3.167 2.845 3.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1397 2 53 THR HB 2 54 VAL H 4.000 . 5.000 3.392 3.199 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1398 2 53 THR HA 2 54 VAL H 2.500 . 2.900 2.110 2.088 2.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1399 2 53 THR MG 2 54 VAL H 3.000 . 4.000 3.746 3.586 4.042 0.042 20 0 "[ . 1 . 2 . 3 . 4]" 1
1400 2 53 THR H 2 54 VAL QG 4.000 . 6.500 4.284 4.015 4.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1401 2 53 THR MG 2 55 THR H 4.000 . 6.500 5.932 5.533 6.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1402 2 54 VAL HA 2 54 VAL QG 3.000 . 3.800 2.107 2.053 2.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1403 2 54 VAL H 2 54 VAL HB 3.000 . 3.500 2.595 2.501 2.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1404 2 54 VAL H 2 54 VAL QG 4.000 . 5.500 2.549 2.200 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1405 2 54 VAL HA 2 55 THR H 2.500 . 2.900 2.162 2.137 2.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1406 2 54 VAL QG 2 55 THR H 4.000 . 5.500 2.902 2.485 3.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1407 2 54 VAL H 2 55 THR H 4.000 . 5.000 4.241 4.032 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1408 2 54 VAL HB 2 55 THR H 4.000 . 5.000 4.349 4.168 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1409 2 55 THR H 2 55 THR HB 3.000 . 3.500 2.643 2.566 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1410 2 55 THR HA 2 55 THR MG 3.000 . 3.800 2.317 2.247 2.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1411 2 55 THR H 2 55 THR MG 3.000 . 4.000 3.835 3.783 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1412 2 55 THR HB 2 56 GLU H 4.000 . 5.000 4.214 3.438 4.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1413 2 55 THR HA 2 56 GLU H 2.500 . 2.900 2.145 2.111 2.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1414 2 55 THR MG 2 56 GLU HA 4.000 . 5.500 4.436 4.030 4.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1415 2 55 THR HA 2 56 GLU QG 4.000 . 6.500 5.303 3.841 5.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1416 2 55 THR MG 2 56 GLU H 3.000 . 4.000 2.953 1.933 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1417 2 55 THR H 2 56 GLU H 4.000 . 5.000 4.358 4.269 4.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1418 2 56 GLU HA 2 56 GLU QG 3.000 . 3.500 2.928 2.436 3.509 0.009 29 0 "[ . 1 . 2 . 3 . 4]" 1
1419 2 56 GLU H 2 56 GLU QG 4.000 . 5.000 3.506 1.811 4.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1420 2 56 GLU H 2 56 GLU QB 3.000 . 3.500 2.301 2.178 2.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1421 1 1 MET QB 2 50 LYS QE 4.000 . 5.000 4.627 2.971 5.033 0.033 28 0 "[ . 1 . 2 . 3 . 4]" 1
1422 1 50 LYS QE 2 1 MET QB 4.000 . 5.000 4.627 2.971 5.035 0.035 28 0 "[ . 1 . 2 . 3 . 4]" 1
1423 1 1 MET QG 2 50 LYS QD 4.000 . 5.000 4.726 3.452 5.087 0.087 20 0 "[ . 1 . 2 . 3 . 4]" 1
1424 1 50 LYS QD 2 1 MET QG 4.000 . 5.000 4.729 3.452 5.087 0.087 20 0 "[ . 1 . 2 . 3 . 4]" 1
1425 1 1 MET QG 2 50 LYS QE 4.000 . 6.000 4.075 2.951 5.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1426 1 50 LYS QE 2 1 MET QG 4.000 . 6.000 4.074 2.953 5.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1427 1 1 MET ME 2 50 LYS HA 4.000 . 6.500 5.678 4.246 6.546 0.046 11 0 "[ . 1 . 2 . 3 . 4]" 1
1428 1 50 LYS HA 2 1 MET ME 4.000 . 6.500 5.679 4.247 6.552 0.052 19 0 "[ . 1 . 2 . 3 . 4]" 1
1429 1 1 MET ME 2 50 LYS QG 4.000 . 5.500 3.441 1.788 4.631 0.012 20 0 "[ . 1 . 2 . 3 . 4]" 1
1430 1 50 LYS QG 2 1 MET ME 4.000 . 5.500 3.439 1.788 4.570 0.012 20 0 "[ . 1 . 2 . 3 . 4]" 1
1431 1 1 MET ME 2 50 LYS QD 4.000 . 5.500 3.109 1.795 4.422 0.005 26 0 "[ . 1 . 2 . 3 . 4]" 1
1432 1 50 LYS QD 2 1 MET ME 4.000 . 5.500 3.106 1.795 4.422 0.005 26 0 "[ . 1 . 2 . 3 . 4]" 1
1433 1 1 MET ME 2 50 LYS HE3 3.000 . 3.800 3.111 1.823 3.841 0.041 29 0 "[ . 1 . 2 . 3 . 4]" 1
1434 1 50 LYS HE3 2 1 MET ME 3.000 . 3.800 3.108 1.823 3.841 0.041 29 0 "[ . 1 . 2 . 3 . 4]" 1
1435 1 1 MET ME 2 50 LYS HE2 3.000 . 3.800 2.721 1.856 3.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1436 1 50 LYS HE2 2 1 MET ME 3.000 . 3.800 2.715 1.856 3.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1437 1 3 TYR QD 2 45 TYR QE 4.000 . 6.000 3.316 2.628 3.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1438 1 45 TYR QE 2 3 TYR QD 4.000 . 6.000 3.315 2.627 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1439 1 3 TYR QE 2 45 TYR QE 4.000 . 6.000 4.150 3.337 4.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1440 1 45 TYR QE 2 3 TYR QE 4.000 . 6.000 4.149 3.337 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1441 1 3 TYR HA 2 50 LYS HA 4.000 . 6.000 5.520 5.190 5.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1442 1 50 LYS HA 2 3 TYR HA 4.000 . 6.000 5.519 5.190 5.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1443 1 3 TYR HA 2 50 LYS QB 4.000 . 5.000 3.256 2.660 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1444 1 50 LYS QB 2 3 TYR HA 4.000 . 5.000 3.256 2.659 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1445 1 3 TYR HA 2 50 LYS QD 4.000 . 6.000 5.074 4.052 6.008 0.008 16 0 "[ . 1 . 2 . 3 . 4]" 1
1446 1 50 LYS QD 2 3 TYR HA 4.000 . 6.000 5.074 4.053 6.009 0.009 16 0 "[ . 1 . 2 . 3 . 4]" 1
1447 1 3 TYR QD 2 50 LYS HA 3.000 . 3.800 3.609 2.844 3.826 0.026 10 0 "[ . 1 . 2 . 3 . 4]" 1
1448 1 50 LYS HA 2 3 TYR QD 3.000 . 3.800 3.609 2.845 3.827 0.027 10 0 "[ . 1 . 2 . 3 . 4]" 1
1449 1 3 TYR QE 2 50 LYS HA 4.000 . 5.500 4.221 3.317 4.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1450 1 50 LYS HA 2 3 TYR QE 4.000 . 5.500 4.220 3.318 4.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1451 1 3 TYR QE 2 50 LYS QB 4.000 . 5.500 3.593 3.069 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1452 1 50 LYS QB 2 3 TYR QE 4.000 . 5.500 3.592 3.070 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1453 1 3 TYR QE 2 50 LYS QG 4.000 . 5.500 4.210 1.832 4.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1454 1 50 LYS QG 2 3 TYR QE 4.000 . 5.500 4.209 1.833 4.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1455 1 3 TYR QD 2 50 LYS QD 4.000 . 5.500 3.579 2.759 4.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1456 1 50 LYS QD 2 3 TYR QD 4.000 . 5.500 3.579 2.759 4.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1457 1 3 TYR QD 2 50 LYS QE 4.000 . 6.500 4.001 2.449 5.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1458 1 50 LYS QE 2 3 TYR QD 4.000 . 6.500 4.000 2.449 5.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1459 1 3 TYR QE 2 50 LYS QD 3.000 . 3.800 2.808 1.912 3.880 0.080 7 0 "[ . 1 . 2 . 3 . 4]" 1
1460 1 50 LYS QD 2 3 TYR QE 3.000 . 3.800 2.808 1.910 3.881 0.081 7 0 "[ . 1 . 2 . 3 . 4]" 1
1461 1 3 TYR QE 2 50 LYS QE 4.000 . 5.500 3.183 1.908 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1462 1 50 LYS QE 2 3 TYR QE 4.000 . 5.500 3.183 1.908 4.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1463 1 3 TYR QD 2 50 LYS QB 3.000 . 4.000 2.720 1.894 3.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1464 1 50 LYS QB 2 3 TYR QD 3.000 . 4.000 2.719 1.894 3.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1465 1 3 TYR QB 2 52 PHE QD 4.000 . 5.500 3.193 2.586 3.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1466 1 52 PHE QD 2 3 TYR QB 4.000 . 5.500 3.193 2.587 3.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1467 1 3 TYR QB 2 52 PHE QE 3.000 . 3.800 2.202 1.936 2.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1468 1 52 PHE QE 2 3 TYR QB 3.000 . 3.800 2.201 1.936 2.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1469 1 3 TYR QD 2 52 PHE QD 4.000 . 6.000 4.117 3.667 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1470 1 52 PHE QD 2 3 TYR QD 4.000 . 6.000 4.117 3.667 4.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1471 1 3 TYR QD 2 52 PHE QE 3.000 . 4.300 2.095 1.936 2.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1472 1 52 PHE QE 2 3 TYR QD 3.000 . 4.300 2.095 1.934 2.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1473 1 4 LYS HA 2 51 THR MG 4.000 . 5.500 4.557 3.934 5.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1474 1 51 THR MG 2 4 LYS HA 4.000 . 5.500 4.556 3.933 5.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1475 1 4 LYS QB 2 51 THR HG1 4.000 . 6.000 2.805 1.928 3.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1476 1 51 THR HG1 2 4 LYS QB 4.000 . 6.000 2.805 1.928 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1477 1 4 LYS H 2 51 THR HA 3.000 . 3.500 3.127 2.810 3.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1478 1 51 THR HA 2 4 LYS H 3.000 . 3.500 3.126 2.811 3.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1479 1 4 LYS QB 2 51 THR HA 3.000 . 3.500 3.257 2.660 3.517 0.017 23 0 "[ . 1 . 2 . 3 . 4]" 1
1480 1 51 THR HA 2 4 LYS QB 3.000 . 3.500 3.257 2.659 3.517 0.017 23 0 "[ . 1 . 2 . 3 . 4]" 1
1481 1 4 LYS QB 2 51 THR MG 3.000 . 4.300 2.940 2.274 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1482 1 51 THR MG 2 4 LYS QB 3.000 . 4.300 2.939 2.274 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1483 1 4 LYS QG 2 51 THR HA 4.000 . 5.000 4.346 3.853 5.010 0.010 22 0 "[ . 1 . 2 . 3 . 4]" 1
1484 1 51 THR HA 2 4 LYS QG 4.000 . 5.000 4.346 3.852 5.009 0.009 22 0 "[ . 1 . 2 . 3 . 4]" 1
1485 1 4 LYS QG 2 51 THR MG 4.000 . 5.500 2.641 1.931 3.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1486 1 51 THR MG 2 4 LYS QG 4.000 . 5.500 2.641 1.931 3.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1487 1 4 LYS QD 2 51 THR MG 4.000 . 5.500 3.493 2.153 4.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1488 1 51 THR MG 2 4 LYS QD 4.000 . 5.500 3.493 2.153 4.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1489 1 4 LYS H 2 51 THR HG1 4.000 . 5.000 4.170 2.998 5.005 0.005 37 0 "[ . 1 . 2 . 3 . 4]" 1
1490 1 51 THR HG1 2 4 LYS H 4.000 . 5.000 4.169 2.998 5.007 0.007 37 0 "[ . 1 . 2 . 3 . 4]" 1
1491 1 4 LYS H 2 51 THR MG 4.000 . 6.500 4.322 3.927 4.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1492 1 51 THR MG 2 4 LYS H 4.000 . 6.500 4.322 3.927 4.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1493 1 4 LYS H 2 51 THR H 4.000 . 6.000 5.202 4.867 5.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1494 1 51 THR H 2 4 LYS H 4.000 . 6.000 5.202 4.865 5.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1495 1 4 LYS QB 2 52 PHE H 4.000 . 6.500 4.585 4.011 4.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1496 1 52 PHE H 2 4 LYS QB 4.000 . 6.500 4.585 4.011 4.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1497 1 4 LYS H 2 52 PHE H 4.000 . 5.000 4.634 4.356 4.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1498 1 52 PHE H 2 4 LYS H 4.000 . 5.000 4.634 4.356 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1499 1 5 VAL QG 2 12 LEU QD 4.000 . 7.000 2.609 2.301 2.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1500 1 12 LEU QD 2 5 VAL QG 4.000 . 7.000 2.609 2.302 2.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1501 1 5 VAL QG 2 43 TRP HZ3 3.000 . 3.800 3.514 2.898 3.863 0.063 19 0 "[ . 1 . 2 . 3 . 4]" 1
1502 1 43 TRP HZ3 2 5 VAL QG 3.000 . 3.800 3.514 2.899 3.864 0.064 19 0 "[ . 1 . 2 . 3 . 4]" 1
1503 1 5 VAL QG 2 43 TRP HH2 4.000 . 5.500 4.412 4.007 4.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1504 1 43 TRP HH2 2 5 VAL QG 4.000 . 5.500 4.412 4.008 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1505 1 5 VAL HA 2 51 THR HA 4.000 . 6.000 3.738 3.390 4.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1506 1 51 THR HA 2 5 VAL HA 4.000 . 6.000 3.738 3.390 4.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1507 1 5 VAL HA 2 51 THR MG 4.000 . 5.500 2.952 2.517 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1508 1 51 THR MG 2 5 VAL HA 4.000 . 5.500 2.951 2.518 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1509 1 5 VAL HA 2 52 PHE QB 4.000 . 5.000 2.699 2.223 3.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1510 1 52 PHE QB 2 5 VAL HA 4.000 . 5.000 2.699 2.222 3.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1511 1 5 VAL HA 2 52 PHE H 3.000 . 3.500 2.175 1.890 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1512 1 52 PHE H 2 5 VAL HA 3.000 . 3.500 2.175 1.890 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1513 1 5 VAL HA 2 52 PHE QD 3.000 . 3.800 3.116 2.803 3.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1514 1 52 PHE QD 2 5 VAL HA 3.000 . 3.800 3.116 2.804 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1515 1 5 VAL QG 2 52 PHE HA 4.000 . 5.500 4.230 3.867 4.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1516 1 52 PHE HA 2 5 VAL QG 4.000 . 5.500 4.230 3.867 4.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1517 1 5 VAL QG 2 52 PHE QB 3.000 . 3.800 2.045 1.763 2.550 0.037 38 0 "[ . 1 . 2 . 3 . 4]" 1
1518 1 52 PHE QB 2 5 VAL QG 3.000 . 3.800 2.045 1.763 2.550 0.037 38 0 "[ . 1 . 2 . 3 . 4]" 1
1519 1 5 VAL QG 2 52 PHE H 4.000 . 5.500 3.078 2.709 3.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1520 1 52 PHE H 2 5 VAL QG 4.000 . 5.500 3.078 2.710 3.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1521 1 5 VAL QG 2 52 PHE QD 3.000 . 4.300 2.463 1.832 3.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1522 1 52 PHE QD 2 5 VAL QG 3.000 . 4.300 2.462 1.832 3.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1523 1 5 VAL QG 2 52 PHE QE 4.000 . 6.000 3.703 3.412 4.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1524 1 52 PHE QE 2 5 VAL QG 4.000 . 6.000 3.703 3.411 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1525 1 5 VAL QG 2 52 PHE HZ 4.000 . 6.500 5.066 4.827 5.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1526 1 52 PHE HZ 2 5 VAL QG 4.000 . 6.500 5.066 4.827 5.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1527 1 5 VAL QG 2 54 VAL H 4.000 . 5.500 3.950 3.394 4.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1528 1 54 VAL H 2 5 VAL QG 4.000 . 5.500 3.950 3.395 4.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1529 1 5 VAL QG 2 54 VAL HB 4.000 . 6.500 4.140 3.703 4.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1530 1 54 VAL HB 2 5 VAL QG 4.000 . 6.500 4.140 3.704 4.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1531 1 5 VAL QG 2 54 VAL QG 2.500 . 3.700 2.558 2.242 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1532 1 54 VAL QG 2 5 VAL QG 2.500 . 3.700 2.558 2.242 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1533 1 5 VAL HA 2 54 VAL QG 4.000 . 5.500 4.893 4.593 5.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1534 1 54 VAL QG 2 5 VAL HA 4.000 . 5.500 4.893 4.593 5.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1535 1 6 ILE H 2 51 THR MG 3.000 . 4.000 2.705 2.358 3.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1536 1 51 THR MG 2 6 ILE H 3.000 . 4.000 2.705 2.358 3.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1537 1 6 ILE HB 2 51 THR MG 4.000 . 5.500 2.939 2.584 3.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1538 1 51 THR MG 2 6 ILE HB 4.000 . 5.500 2.939 2.583 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1539 1 6 ILE QG 2 51 THR MG 3.000 . 3.800 1.858 1.793 1.997 0.007 18 0 "[ . 1 . 2 . 3 . 4]" 1
1540 1 51 THR MG 2 6 ILE QG 3.000 . 3.800 1.858 1.793 1.997 0.007 18 0 "[ . 1 . 2 . 3 . 4]" 1
1541 1 6 ILE MD 2 51 THR HA 4.000 . 5.500 5.000 4.504 5.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1542 1 51 THR HA 2 6 ILE MD 4.000 . 5.500 5.000 4.505 5.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1543 1 6 ILE MD 2 51 THR HB 4.000 . 5.500 3.666 3.486 4.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1544 1 51 THR HB 2 6 ILE MD 4.000 . 5.500 3.666 3.486 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1545 1 6 ILE MD 2 51 THR MG 3.000 . 3.800 1.885 1.767 2.205 0.033 20 0 "[ . 1 . 2 . 3 . 4]" 1
1546 1 51 THR MG 2 6 ILE MD 3.000 . 3.800 1.885 1.767 2.205 0.033 20 0 "[ . 1 . 2 . 3 . 4]" 1
1547 1 6 ILE H 2 52 PHE QB 4.000 . 5.000 3.457 3.141 3.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1548 1 52 PHE QB 2 6 ILE H 4.000 . 5.000 3.458 3.143 3.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1549 1 6 ILE H 2 52 PHE H 4.000 . 5.000 3.021 2.621 3.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1550 1 52 PHE H 2 6 ILE H 4.000 . 5.000 3.022 2.620 3.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1551 1 6 ILE HB 2 53 THR HA 3.000 . 3.300 2.452 2.198 2.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1552 1 53 THR HA 2 6 ILE HB 3.000 . 3.300 2.452 2.198 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1553 1 6 ILE H 2 53 THR HA 4.000 . 5.000 3.103 2.767 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1554 1 53 THR HA 2 6 ILE H 4.000 . 5.000 3.103 2.766 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1555 1 6 ILE HB 2 53 THR MG 3.000 . 3.800 2.015 1.809 2.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1556 1 53 THR MG 2 6 ILE HB 3.000 . 3.800 2.015 1.809 2.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1557 1 6 ILE QG 2 53 THR HA 4.000 . 6.000 4.374 4.101 4.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1558 1 53 THR HA 2 6 ILE QG 4.000 . 6.000 4.374 4.101 4.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1559 1 6 ILE QG 2 53 THR MG 4.000 . 5.500 3.438 3.175 3.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1560 1 53 THR MG 2 6 ILE QG 4.000 . 5.500 3.438 3.173 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1561 1 6 ILE MG 2 53 THR H 4.000 . 5.500 5.508 5.153 5.570 0.070 37 0 "[ . 1 . 2 . 3 . 4]" 1
1562 1 53 THR H 2 6 ILE MG 4.000 . 5.500 5.509 5.154 5.569 0.069 37 0 "[ . 1 . 2 . 3 . 4]" 1
1563 1 6 ILE MG 2 53 THR HA 3.000 . 3.800 3.272 3.064 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1564 1 53 THR HA 2 6 ILE MG 3.000 . 3.800 3.273 3.065 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1565 1 6 ILE MD 2 53 THR HA 4.000 . 5.500 4.256 4.003 4.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1566 1 53 THR HA 2 6 ILE MD 4.000 . 5.500 4.256 4.004 4.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1567 1 6 ILE H 2 53 THR H 4.000 . 6.000 4.526 4.043 4.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1568 1 53 THR H 2 6 ILE H 4.000 . 6.000 4.527 4.044 4.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1569 1 6 ILE HB 2 54 VAL H 4.000 . 5.000 4.003 3.694 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1570 1 54 VAL H 2 6 ILE HB 4.000 . 5.000 4.004 3.693 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1571 1 6 ILE MG 2 54 VAL H 4.000 . 5.500 3.831 3.487 4.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1572 1 54 VAL H 2 6 ILE MG 4.000 . 5.500 3.830 3.488 4.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1573 1 6 ILE H 2 54 VAL H 4.000 . 5.000 4.255 3.759 4.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1574 1 54 VAL H 2 6 ILE H 4.000 . 5.000 4.255 3.760 4.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1575 1 6 ILE H 2 54 VAL QG 4.000 . 6.500 4.307 3.911 4.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1576 1 54 VAL QG 2 6 ILE H 4.000 . 6.500 4.307 3.912 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1577 1 7 LEU HG 2 16 THR MG 4.000 . 6.500 4.990 4.575 5.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1578 1 16 THR MG 2 7 LEU HG 4.000 . 6.500 4.989 4.575 5.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1579 1 7 LEU QD 2 16 THR HB 4.000 . 5.500 3.150 2.880 3.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1580 1 16 THR HB 2 7 LEU QD 4.000 . 5.500 3.150 2.881 3.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1581 1 7 LEU HA 2 33 PHE HZ 3.000 . 3.300 3.167 2.987 3.342 0.042 19 0 "[ . 1 . 2 . 3 . 4]" 1
1582 1 33 PHE HZ 2 7 LEU HA 3.000 . 3.300 3.167 2.986 3.343 0.043 19 0 "[ . 1 . 2 . 3 . 4]" 1
1583 1 7 LEU HA 2 33 PHE QD 4.000 . 6.500 6.133 6.002 6.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1584 1 33 PHE QD 2 7 LEU HA 4.000 . 6.500 6.133 6.003 6.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1585 1 7 LEU HA 2 33 PHE QE 4.000 . 5.500 4.147 3.966 4.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1586 1 33 PHE QE 2 7 LEU HA 4.000 . 5.500 4.147 3.965 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1587 1 7 LEU QB 2 33 PHE QD 4.000 . 5.500 4.073 3.981 4.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1588 1 33 PHE QD 2 7 LEU QB 4.000 . 5.500 4.073 3.981 4.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1589 1 7 LEU QB 2 33 PHE QE 4.000 . 5.500 2.019 1.872 2.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1590 1 33 PHE QE 2 7 LEU QB 4.000 . 5.500 2.018 1.873 2.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1591 1 7 LEU QB 2 33 PHE HZ 4.000 . 6.000 1.814 1.777 1.875 0.023 18 0 "[ . 1 . 2 . 3 . 4]" 1
1592 1 33 PHE HZ 2 7 LEU QB 4.000 . 6.000 1.814 1.778 1.876 0.022 18 0 "[ . 1 . 2 . 3 . 4]" 1
1593 1 7 LEU QD 2 33 PHE QD 3.000 . 4.300 3.683 3.414 3.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1594 1 33 PHE QD 2 7 LEU QD 3.000 . 4.300 3.683 3.415 3.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1595 1 7 LEU QD 2 33 PHE QE 3.000 . 4.300 2.152 1.961 2.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1596 1 33 PHE QE 2 7 LEU QD 3.000 . 4.300 2.152 1.961 2.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1597 1 7 LEU QD 2 33 PHE HZ 3.000 . 3.800 3.314 2.843 3.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1598 1 33 PHE HZ 2 7 LEU QD 3.000 . 3.800 3.314 2.843 3.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1599 1 7 LEU QD 2 34 PHE QD 4.000 . 6.000 3.760 3.333 4.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1600 1 34 PHE QD 2 7 LEU QD 4.000 . 6.000 3.759 3.334 4.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1601 1 7 LEU QD 2 34 PHE QE 3.000 . 4.300 2.203 1.935 2.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1602 1 34 PHE QE 2 7 LEU QD 3.000 . 4.300 2.203 1.934 2.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1603 1 7 LEU QD 2 34 PHE HZ 4.000 . 5.500 3.394 3.182 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1604 1 34 PHE HZ 2 7 LEU QD 4.000 . 5.500 3.393 3.183 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1605 1 7 LEU HA 2 54 VAL HB 3.000 . 3.300 2.292 1.979 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1606 1 54 VAL HB 2 7 LEU HA 3.000 . 3.300 2.292 1.979 2.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1607 1 7 LEU HA 2 54 VAL QG 4.000 . 5.500 3.141 2.885 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1608 1 54 VAL QG 2 7 LEU HA 4.000 . 5.500 3.141 2.883 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1609 1 7 LEU QB 2 54 VAL HB 4.000 . 5.000 3.379 2.958 3.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1610 1 54 VAL HB 2 7 LEU QB 4.000 . 5.000 3.379 2.956 3.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1611 1 7 LEU QD 2 54 VAL HB 3.000 . 3.800 2.526 1.898 2.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1612 1 54 VAL HB 2 7 LEU QD 3.000 . 3.800 2.526 1.900 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1613 1 7 LEU QD 2 54 VAL QG 2.500 . 3.700 2.241 1.849 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1614 1 54 VAL QG 2 7 LEU QD 2.500 . 3.700 2.241 1.849 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1615 1 7 LEU HA 2 54 VAL H 4.000 . 5.000 2.715 2.366 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1616 1 54 VAL H 2 7 LEU HA 4.000 . 5.000 2.715 2.366 2.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1617 1 7 LEU HG 2 54 VAL QG 4.000 . 6.500 4.521 3.845 5.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1618 1 54 VAL QG 2 7 LEU HG 4.000 . 6.500 4.521 3.845 5.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1619 1 7 LEU QD 2 54 VAL H 4.000 . 5.500 3.331 2.987 3.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1620 1 54 VAL H 2 7 LEU QD 4.000 . 5.500 3.331 2.987 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1621 1 8 ASN H 2 33 PHE QE 4.000 . 5.500 4.559 4.271 4.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1622 1 33 PHE QE 2 8 ASN H 4.000 . 5.500 4.559 4.272 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1623 1 8 ASN H 2 33 PHE HZ 4.000 . 5.000 3.804 3.543 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1624 1 33 PHE HZ 2 8 ASN H 4.000 . 5.000 3.804 3.544 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1625 1 8 ASN HA 2 53 THR MG 4.000 . 5.500 5.550 5.514 5.620 0.120 8 0 "[ . 1 . 2 . 3 . 4]" 1
1626 1 53 THR MG 2 8 ASN HA 4.000 . 5.500 5.550 5.515 5.621 0.121 8 0 "[ . 1 . 2 . 3 . 4]" 1
1627 1 8 ASN QB 2 53 THR MG 3.000 . 3.800 3.553 3.166 3.848 0.048 37 0 "[ . 1 . 2 . 3 . 4]" 1
1628 1 53 THR MG 2 8 ASN QB 3.000 . 3.800 3.553 3.166 3.848 0.048 37 0 "[ . 1 . 2 . 3 . 4]" 1
1629 1 8 ASN QD 2 53 THR MG 3.000 . 3.800 3.529 1.834 3.853 0.053 24 0 "[ . 1 . 2 . 3 . 4]" 1
1630 1 53 THR MG 2 8 ASN QD 3.000 . 3.800 3.529 1.833 3.854 0.054 24 0 "[ . 1 . 2 . 3 . 4]" 1
1631 1 8 ASN H 2 54 VAL H 4.000 . 5.000 2.736 2.524 3.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1632 1 54 VAL H 2 8 ASN H 4.000 . 5.000 2.735 2.524 3.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1633 1 8 ASN H 2 54 VAL HB 4.000 . 5.000 3.435 3.116 3.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1634 1 54 VAL HB 2 8 ASN H 4.000 . 5.000 3.436 3.117 3.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1635 1 8 ASN H 2 54 VAL QG 4.000 . 5.500 3.947 3.732 4.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1636 1 54 VAL QG 2 8 ASN H 4.000 . 5.500 3.947 3.731 4.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1637 1 8 ASN HA 2 55 THR MG 4.000 . 5.500 5.448 4.910 5.574 0.074 36 0 "[ . 1 . 2 . 3 . 4]" 1
1638 1 55 THR MG 2 8 ASN HA 4.000 . 5.500 5.448 4.910 5.575 0.075 36 0 "[ . 1 . 2 . 3 . 4]" 1
1639 1 8 ASN QB 2 55 THR HB 4.000 . 6.000 5.159 4.651 5.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1640 1 55 THR HB 2 8 ASN QB 4.000 . 6.000 5.159 4.652 5.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1641 1 8 ASN H 2 55 THR HA 4.000 . 5.000 3.841 3.467 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1642 1 55 THR HA 2 8 ASN H 4.000 . 5.000 3.841 3.466 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1643 1 8 ASN QB 2 55 THR HA 4.000 . 5.000 3.190 2.920 3.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1644 1 55 THR HA 2 8 ASN QB 4.000 . 5.000 3.190 2.920 3.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1645 1 8 ASN QB 2 55 THR MG 3.000 . 3.800 3.520 2.984 3.818 0.018 39 0 "[ . 1 . 2 . 3 . 4]" 1
1646 1 55 THR MG 2 8 ASN QB 3.000 . 3.800 3.520 2.985 3.818 0.018 39 0 "[ . 1 . 2 . 3 . 4]" 1
1647 1 8 ASN QD 2 55 THR MG 4.000 . 5.500 5.226 4.746 5.589 0.089 10 0 "[ . 1 . 2 . 3 . 4]" 1
1648 1 55 THR MG 2 8 ASN QD 4.000 . 5.500 5.226 4.746 5.589 0.089 10 0 "[ . 1 . 2 . 3 . 4]" 1
1649 1 8 ASN H 2 55 THR MG 4.000 . 6.500 5.180 4.712 5.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1650 1 55 THR MG 2 8 ASN H 4.000 . 6.500 5.180 4.713 5.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1651 1 8 ASN QD 2 55 THR HA 4.000 . 6.000 5.665 4.857 6.009 0.009 9 0 "[ . 1 . 2 . 3 . 4]" 1
1652 1 55 THR HA 2 8 ASN QD 4.000 . 6.000 5.665 4.856 6.009 0.009 9 0 "[ . 1 . 2 . 3 . 4]" 1
1653 1 8 ASN H 2 56 GLU H 4.000 . 6.000 5.025 4.521 5.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1654 1 56 GLU H 2 8 ASN H 4.000 . 6.000 5.026 4.521 5.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1655 1 8 ASN QB 2 56 GLU H 4.000 . 5.000 4.602 4.156 4.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1656 1 56 GLU H 2 8 ASN QB 4.000 . 5.000 4.602 4.156 4.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1657 1 9 GLY H 2 33 PHE QD 4.000 . 6.500 4.616 4.094 5.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1658 1 33 PHE QD 2 9 GLY H 4.000 . 6.500 4.616 4.095 5.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1659 1 9 GLY H 2 33 PHE QE 4.000 . 6.500 2.629 2.066 3.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1660 1 33 PHE QE 2 9 GLY H 4.000 . 6.500 2.629 2.066 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1661 1 9 GLY QA 2 33 PHE QD 4.000 . 5.500 2.706 2.314 3.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1662 1 33 PHE QD 2 9 GLY QA 4.000 . 5.500 2.706 2.313 3.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1663 1 9 GLY QA 2 33 PHE QE 3.000 . 4.300 1.786 1.753 1.857 0.047 38 0 "[ . 1 . 2 . 3 . 4]" 1
1664 1 33 PHE QE 2 9 GLY QA 3.000 . 4.300 1.786 1.751 1.858 0.049 38 0 "[ . 1 . 2 . 3 . 4]" 1
1665 1 9 GLY QA 2 56 GLU QB 4.000 . 6.000 2.327 1.695 3.235 0.105 20 0 "[ . 1 . 2 . 3 . 4]" 1
1666 1 56 GLU QB 2 9 GLY QA 4.000 . 6.000 2.327 1.694 3.234 0.106 20 0 "[ . 1 . 2 . 3 . 4]" 1
1667 1 9 GLY QA 2 56 GLU QG 4.000 . 6.000 3.216 1.770 4.370 0.030 33 0 "[ . 1 . 2 . 3 . 4]" 1
1668 1 56 GLU QG 2 9 GLY QA 4.000 . 6.000 3.216 1.771 4.370 0.029 33 0 "[ . 1 . 2 . 3 . 4]" 1
1669 1 9 GLY QA 2 56 GLU H 4.000 . 5.000 2.168 1.954 2.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1670 1 56 GLU H 2 9 GLY QA 4.000 . 5.000 2.168 1.954 2.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1671 1 10 LYS H 2 33 PHE QD 4.000 . 6.500 4.009 3.564 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1672 1 33 PHE QD 2 10 LYS H 4.000 . 6.500 4.009 3.564 4.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1673 1 10 LYS H 2 33 PHE QE 4.000 . 6.500 4.170 3.959 4.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1674 1 33 PHE QE 2 10 LYS H 4.000 . 6.000 4.170 3.961 4.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1675 1 10 LYS H 2 56 GLU H 4.000 . 6.000 4.245 3.788 4.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1676 1 56 GLU H 2 10 LYS H 4.000 . 6.000 4.245 3.787 4.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1677 1 10 LYS HA 2 56 GLU H 4.000 . 6.000 6.019 5.635 6.090 0.090 23 0 "[ . 1 . 2 . 3 . 4]" 1
1678 1 56 GLU H 2 10 LYS HA 4.000 . 6.000 6.019 5.635 6.091 0.091 23 0 "[ . 1 . 2 . 3 . 4]" 1
1679 1 10 LYS H 2 56 GLU QG 4.000 . 5.000 3.024 1.828 4.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1680 1 56 GLU QG 2 10 LYS H 4.000 . 5.000 3.024 1.827 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1681 1 10 LYS H 2 56 GLU HB3 4.000 . 5.000 2.923 2.088 4.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1682 1 56 GLU HB3 2 10 LYS H 4.000 . 5.000 2.923 2.089 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1683 1 10 LYS H 2 56 GLU HB2 4.000 . 5.000 3.710 2.942 4.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1684 1 56 GLU HB2 2 10 LYS H 4.000 . 5.000 3.710 2.942 4.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1685 1 10 LYS QG 2 56 GLU QB 4.000 . 6.000 3.305 2.330 5.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1686 1 56 GLU QB 2 10 LYS QG 4.000 . 6.000 3.305 2.328 5.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1687 1 10 LYS QG 2 56 GLU QG 4.000 . 6.000 3.188 1.760 5.045 0.040 39 0 "[ . 1 . 2 . 3 . 4]" 1
1688 1 56 GLU QG 2 10 LYS QG 4.000 . 6.000 3.188 1.761 5.044 0.039 39 0 "[ . 1 . 2 . 3 . 4]" 1
1689 1 10 LYS QE 2 56 GLU QB 4.000 . 6.000 4.306 2.929 6.068 0.068 23 0 "[ . 1 . 2 . 3 . 4]" 1
1690 1 56 GLU QB 2 10 LYS QE 4.000 . 6.000 4.305 2.929 6.068 0.068 23 0 "[ . 1 . 2 . 3 . 4]" 1
1691 1 10 LYS QE 2 56 GLU QG 4.000 . 5.000 3.885 2.149 5.031 0.031 38 0 "[ . 1 . 2 . 3 . 4]" 1
1692 1 56 GLU QG 2 10 LYS QE 4.000 . 5.000 3.885 2.148 5.031 0.031 38 0 "[ . 1 . 2 . 3 . 4]" 1
1693 1 11 THR H 2 18 THR HA 4.000 . 6.000 6.131 6.109 6.160 0.160 35 0 "[ . 1 . 2 . 3 . 4]" 1
1694 1 18 THR HA 2 11 THR H 4.000 . 6.000 6.131 6.110 6.158 0.158 35 0 "[ . 1 . 2 . 3 . 4]" 1
1695 1 11 THR MG 2 18 THR HA 4.000 . 6.500 5.675 5.551 5.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1696 1 18 THR HA 2 11 THR MG 4.000 . 6.500 5.675 5.551 5.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1697 1 11 THR HA 2 19 GLU QB 4.000 . 5.000 4.081 3.667 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1698 1 19 GLU QB 2 11 THR HA 4.000 . 5.000 4.081 3.666 4.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1699 1 11 THR HB 2 19 GLU H 4.000 . 5.000 3.444 3.273 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1700 1 19 GLU H 2 11 THR HB 4.000 . 5.000 3.444 3.274 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1701 1 11 THR HB 2 19 GLU QB 4.000 . 5.000 4.203 3.920 4.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1702 1 19 GLU QB 2 11 THR HB 4.000 . 5.000 4.203 3.922 4.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1703 1 11 THR MG 2 19 GLU H 4.000 . 5.500 4.475 4.291 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1704 1 19 GLU H 2 11 THR MG 4.000 . 5.500 4.475 4.291 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1705 1 11 THR MG 2 19 GLU QB 4.000 . 5.500 4.143 3.903 4.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1706 1 19 GLU QB 2 11 THR MG 4.000 . 5.500 4.143 3.903 4.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1707 1 11 THR HA 2 29 VAL QG 4.000 . 5.500 3.967 3.826 4.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1708 1 29 VAL QG 2 11 THR HA 4.000 . 5.500 3.967 3.825 4.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1709 1 11 THR HB 2 29 VAL QG 3.000 . 3.800 1.985 1.819 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1710 1 29 VAL QG 2 11 THR HB 3.000 . 3.800 1.984 1.818 2.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1711 1 11 THR MG 2 29 VAL HB 4.000 . 6.500 5.153 4.813 5.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1712 1 29 VAL HB 2 11 THR MG 4.000 . 6.500 5.152 4.812 5.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1713 1 11 THR HB 2 33 PHE QD 4.000 . 6.500 6.576 6.551 6.605 0.105 30 0 "[ . 1 . 2 . 3 . 4]" 1
1714 1 33 PHE QD 2 11 THR HB 4.000 . 6.500 6.576 6.550 6.606 0.106 25 0 "[ . 1 . 2 . 3 . 4]" 1
1715 1 11 THR MG 2 33 PHE QB 4.000 . 6.500 6.528 6.397 6.576 0.076 22 0 "[ . 1 . 2 . 3 . 4]" 1
1716 1 33 PHE QB 2 11 THR MG 4.000 . 6.500 6.528 6.396 6.575 0.075 19 0 "[ . 1 . 2 . 3 . 4]" 1
1717 1 11 THR MG 2 33 PHE QD 4.000 . 7.000 6.382 6.252 6.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1718 1 33 PHE QD 2 11 THR MG 4.000 . 7.000 6.382 6.252 6.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1719 1 12 LEU HA 2 16 THR MG 4.000 . 6.500 5.954 5.452 6.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1720 1 16 THR MG 2 12 LEU HA 4.000 . 6.500 5.954 5.451 6.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1721 1 12 LEU QB 2 16 THR HB 4.000 . 6.000 6.055 6.015 6.094 0.094 7 0 "[ . 1 . 2 . 3 . 4]" 1
1722 1 16 THR HB 2 12 LEU QB 4.000 . 6.000 6.055 6.013 6.094 0.094 7 0 "[ . 1 . 2 . 3 . 4]" 1
1723 1 12 LEU QB 2 16 THR MG 4.000 . 5.500 5.078 4.654 5.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1724 1 16 THR MG 2 12 LEU QB 4.000 . 5.500 5.078 4.653 5.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1725 1 12 LEU HG 2 16 THR HB 4.000 . 6.000 4.253 4.187 4.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1726 1 16 THR HB 2 12 LEU HG 4.000 . 6.000 4.253 4.187 4.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1727 1 12 LEU QD 2 16 THR HA 4.000 . 6.500 3.880 3.750 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1728 1 16 THR HA 2 12 LEU QD 4.000 . 6.500 3.880 3.749 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1729 1 12 LEU MD1 2 16 THR HB 4.000 . 5.500 3.703 3.605 3.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1730 1 16 THR HB 2 12 LEU MD1 4.000 . 5.500 3.703 3.604 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1731 1 12 LEU MD1 2 16 THR MG 3.000 . 4.300 2.988 2.401 3.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1732 1 16 THR MG 2 12 LEU MD1 3.000 . 4.300 2.988 2.400 3.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1733 1 12 LEU MD2 2 16 THR HB 4.000 . 5.500 4.253 4.095 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1734 1 16 THR HB 2 12 LEU MD2 4.000 . 5.500 4.253 4.094 4.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1735 1 12 LEU MD2 2 16 THR MG 3.000 . 4.300 2.912 2.486 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1736 1 16 THR MG 2 12 LEU MD2 3.000 . 4.300 2.912 2.486 3.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1737 1 12 LEU HA 2 17 THR H 4.000 . 5.000 4.554 4.442 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1738 1 17 THR H 2 12 LEU HA 4.000 . 5.000 4.555 4.442 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1739 1 12 LEU HA 2 17 THR MG 4.000 . 6.500 6.238 6.138 6.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1740 1 17 THR MG 2 12 LEU HA 4.000 . 6.500 6.238 6.137 6.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1741 1 12 LEU QB 2 17 THR H 4.000 . 6.000 5.322 5.239 5.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1742 1 17 THR H 2 12 LEU QB 4.000 . 6.000 5.322 5.239 5.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1743 1 12 LEU QD 2 17 THR H 4.000 . 5.500 2.211 2.125 2.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1744 1 17 THR H 2 12 LEU QD 4.000 . 5.500 2.211 2.125 2.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1745 1 12 LEU HA 2 18 THR HA 3.000 . 3.300 2.112 1.975 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1746 1 18 THR HA 2 12 LEU HA 3.000 . 3.300 2.112 1.974 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1747 1 12 LEU HA 2 18 THR HB 4.000 . 5.000 3.286 3.049 3.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1748 1 18 THR HB 2 12 LEU HA 4.000 . 5.000 3.286 3.049 3.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1749 1 12 LEU QB 2 18 THR H 4.000 . 5.000 5.039 4.992 5.059 0.059 32 0 "[ . 1 . 2 . 3 . 4]" 1
1750 1 18 THR H 2 12 LEU QB 4.000 . 5.000 5.039 4.988 5.060 0.060 32 0 "[ . 1 . 2 . 3 . 4]" 1
1751 1 12 LEU QB 2 18 THR HA 4.000 . 5.500 3.337 3.271 3.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1752 1 18 THR HA 2 12 LEU QB 4.000 . 5.500 3.337 3.271 3.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1753 1 12 LEU QB 2 18 THR HB 3.000 . 3.300 2.665 2.508 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1754 1 18 THR HB 2 12 LEU QB 3.000 . 3.300 2.665 2.507 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1755 1 12 LEU QB 2 18 THR HG1 3.000 . 3.300 2.552 2.367 2.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1756 1 18 THR HG1 2 12 LEU QB 3.000 . 3.300 2.552 2.368 2.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1757 1 12 LEU HG 2 18 THR HA 4.000 . 5.000 4.759 4.659 4.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1758 1 18 THR HA 2 12 LEU HG 4.000 . 5.000 4.759 4.659 4.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1759 1 12 LEU HG 2 18 THR HB 4.000 . 5.000 4.201 4.109 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1760 1 18 THR HB 2 12 LEU HG 4.000 . 5.000 4.201 4.110 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1761 1 12 LEU QD 2 18 THR HA 4.000 . 5.500 2.040 1.942 2.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1762 1 18 THR HA 2 12 LEU QD 4.000 . 5.500 2.040 1.943 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1763 1 12 LEU MD1 2 18 THR HB 4.000 . 5.500 1.803 1.784 1.844 0.016 37 0 "[ . 1 . 2 . 3 . 4]" 1
1764 1 18 THR HB 2 12 LEU MD1 4.000 . 5.500 1.803 1.784 1.845 0.016 37 0 "[ . 1 . 2 . 3 . 4]" 1
1765 1 12 LEU MD2 2 18 THR HB 4.000 . 5.500 2.722 2.600 2.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1766 1 18 THR HB 2 12 LEU MD2 4.000 . 5.500 2.722 2.599 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1767 1 12 LEU MD1 2 18 THR HG1 4.000 . 5.500 2.990 2.888 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1768 1 18 THR HG1 2 12 LEU MD1 4.000 . 5.500 2.990 2.887 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1769 1 12 LEU MD2 2 18 THR HG1 4.000 . 5.500 3.995 3.816 4.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1770 1 18 THR HG1 2 12 LEU MD2 4.000 . 5.500 3.995 3.815 4.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1771 1 12 LEU QD 2 18 THR MG 4.000 . 6.000 2.842 2.776 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1772 1 18 THR MG 2 12 LEU QD 4.000 . 6.000 2.842 2.775 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1773 1 12 LEU H 2 19 GLU H 4.000 . 6.000 5.247 5.052 5.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1774 1 19 GLU H 2 12 LEU H 4.000 . 6.000 5.247 5.052 5.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1775 1 12 LEU QB 2 29 VAL QG 4.000 . 6.500 2.711 2.139 3.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1776 1 29 VAL QG 2 12 LEU QB 4.000 . 6.500 2.711 2.138 3.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1777 1 12 LEU QD 2 29 VAL HB 4.000 . 6.500 4.480 4.067 4.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1778 1 29 VAL HB 2 12 LEU QD 4.000 . 6.500 4.480 4.068 4.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1779 1 12 LEU MD1 2 29 VAL QG 3.000 . 4.500 3.962 3.543 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1780 1 29 VAL QG 2 12 LEU MD1 3.000 . 4.500 3.962 3.543 4.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1781 1 12 LEU MD2 2 29 VAL QG 3.000 . 4.500 3.590 3.007 4.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1782 1 29 VAL QG 2 12 LEU MD2 3.000 . 4.500 3.590 3.007 4.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1783 1 12 LEU HG 2 30 VAL HA 4.000 . 5.000 5.059 5.021 5.094 0.094 29 0 "[ . 1 . 2 . 3 . 4]" 1
1784 1 30 VAL HA 2 12 LEU HG 4.000 . 5.000 5.058 5.022 5.094 0.094 29 0 "[ . 1 . 2 . 3 . 4]" 1
1785 1 12 LEU QD 2 30 VAL H 4.000 . 5.500 4.141 3.917 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1786 1 30 VAL H 2 12 LEU QD 4.000 . 5.500 4.141 3.915 4.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1787 1 12 LEU QD 2 30 VAL HA 3.000 . 3.800 2.238 2.141 2.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1788 1 30 VAL HA 2 12 LEU QD 3.000 . 3.800 2.238 2.140 2.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1789 1 12 LEU QD 2 30 VAL HB 4.000 . 6.500 4.038 3.918 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1790 1 30 VAL HB 2 12 LEU QD 4.000 . 6.500 4.038 3.918 4.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1791 1 12 LEU QD 2 30 VAL QG 2.500 . 3.700 1.943 1.780 2.142 0.020 7 0 "[ . 1 . 2 . 3 . 4]" 1
1792 1 30 VAL QG 2 12 LEU QD 2.500 . 3.700 1.943 1.780 2.142 0.020 7 0 "[ . 1 . 2 . 3 . 4]" 1
1793 1 12 LEU QB 2 33 PHE QD 4.000 . 6.500 2.363 1.963 2.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1794 1 33 PHE QD 2 12 LEU QB 4.000 . 6.500 2.363 1.962 2.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1795 1 12 LEU HG 2 33 PHE QD 4.000 . 6.500 3.749 3.578 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1796 1 33 PHE QD 2 12 LEU HG 4.000 . 6.500 3.749 3.577 3.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1797 1 12 LEU HG 2 33 PHE QE 4.000 . 6.500 3.405 3.149 3.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1798 1 33 PHE QE 2 12 LEU HG 4.000 . 6.500 3.405 3.151 3.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1799 1 12 LEU QD 2 33 PHE H 4.000 . 5.500 3.995 3.890 4.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1800 1 33 PHE H 2 12 LEU QD 4.000 . 5.500 3.995 3.890 4.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1801 1 12 LEU QD 2 33 PHE HA 4.000 . 5.500 4.115 4.036 4.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1802 1 33 PHE HA 2 12 LEU QD 4.000 . 5.500 4.115 4.037 4.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1803 1 12 LEU MD1 2 33 PHE HB3 4.000 . 5.500 5.181 5.109 5.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1804 1 33 PHE HB3 2 12 LEU MD1 4.000 . 5.500 5.181 5.108 5.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1805 1 12 LEU MD1 2 33 PHE HB2 4.000 . 5.500 4.729 4.623 4.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1806 1 33 PHE HB2 2 12 LEU MD1 4.000 . 5.500 4.729 4.622 4.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1807 1 12 LEU MD2 2 33 PHE HB3 4.000 . 5.500 2.548 2.472 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1808 1 33 PHE HB3 2 12 LEU MD2 4.000 . 5.500 2.548 2.471 2.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1809 1 12 LEU MD2 2 33 PHE HB2 4.000 . 5.500 2.109 2.001 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1810 1 33 PHE HB2 2 12 LEU MD2 4.000 . 5.500 2.109 2.000 2.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1811 1 12 LEU MD1 2 33 PHE QD 4.000 . 6.000 4.451 4.349 4.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1812 1 33 PHE QD 2 12 LEU MD1 4.000 . 6.000 4.451 4.349 4.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1813 1 12 LEU MD1 2 33 PHE QE 4.000 . 6.000 4.475 4.305 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1814 1 33 PHE QE 2 12 LEU MD1 4.000 . 6.000 4.475 4.306 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1815 1 12 LEU MD2 2 33 PHE QD 4.000 . 6.000 2.415 2.178 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1816 1 33 PHE QD 2 12 LEU MD2 4.000 . 6.000 2.414 2.178 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1817 1 12 LEU MD2 2 33 PHE QE 4.000 . 6.000 3.096 2.986 3.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1818 1 33 PHE QE 2 12 LEU MD2 4.000 . 6.000 3.096 2.987 3.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1819 1 12 LEU QD 2 33 PHE HZ 4.000 . 5.500 3.876 3.709 4.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1820 1 33 PHE HZ 2 12 LEU QD 4.000 . 5.500 3.876 3.709 4.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1821 1 12 LEU QD 2 34 PHE H 4.000 . 6.500 4.224 4.028 4.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1822 1 34 PHE H 2 12 LEU QD 4.000 . 6.500 4.224 4.026 4.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1823 1 12 LEU QD 2 34 PHE QD 4.000 . 7.000 4.419 4.281 4.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1824 1 34 PHE QD 2 12 LEU QD 4.000 . 7.000 4.418 4.281 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1825 1 12 LEU QD 2 34 PHE QE 4.000 . 6.000 3.619 3.424 3.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1826 1 34 PHE QE 2 12 LEU QD 4.000 . 6.000 3.619 3.425 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1827 1 13 LYS H 2 16 THR HA 4.000 . 6.000 4.997 4.884 5.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1828 1 16 THR HA 2 13 LYS H 4.000 . 6.000 4.997 4.884 5.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1829 1 13 LYS H 2 16 THR HB 4.000 . 6.000 5.176 5.062 5.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1830 1 16 THR HB 2 13 LYS H 4.000 . 6.000 5.176 5.061 5.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1831 1 13 LYS H 2 16 THR MG 4.000 . 5.500 5.229 4.896 5.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1832 1 16 THR MG 2 13 LYS H 4.000 . 5.500 5.229 4.895 5.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1833 1 13 LYS H 2 17 THR H 3.000 . 3.500 2.874 2.790 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1834 1 17 THR H 2 13 LYS H 3.000 . 3.500 2.875 2.790 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1835 1 13 LYS H 2 17 THR HB 4.000 . 5.000 5.009 4.828 5.040 0.040 31 0 "[ . 1 . 2 . 3 . 4]" 1
1836 1 17 THR HB 2 13 LYS H 4.000 . 5.000 5.009 4.828 5.042 0.042 31 0 "[ . 1 . 2 . 3 . 4]" 1
1837 1 13 LYS H 2 17 THR MG 4.000 . 5.500 5.107 4.983 5.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1838 1 17 THR MG 2 13 LYS H 4.000 . 5.500 5.107 4.983 5.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1839 1 13 LYS QB 2 17 THR H 4.000 . 5.000 4.037 3.857 4.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1840 1 17 THR H 2 13 LYS QB 4.000 . 5.000 4.037 3.858 4.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1841 1 13 LYS H 2 18 THR HA 4.000 . 6.000 3.405 3.116 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1842 1 18 THR HA 2 13 LYS H 4.000 . 6.000 3.405 3.117 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1843 1 13 LYS H 2 18 THR HB 4.000 . 6.000 4.508 4.407 4.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1844 1 18 THR HB 2 13 LYS H 4.000 . 6.000 4.508 4.408 4.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1845 1 13 LYS H 2 18 THR HG1 4.000 . 5.000 5.025 4.977 5.045 0.045 38 0 "[ . 1 . 2 . 3 . 4]" 1
1846 1 18 THR HG1 2 13 LYS H 4.000 . 5.000 5.025 4.977 5.043 0.043 38 0 "[ . 1 . 2 . 3 . 4]" 1
1847 1 14 GLY QA 2 16 THR H 4.000 . 5.000 4.213 4.112 4.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1848 1 16 THR H 2 14 GLY QA 4.000 . 5.000 4.213 4.111 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1849 1 14 GLY QA 2 16 THR HA 2.500 . 2.700 1.805 1.776 1.853 0.024 32 0 "[ . 1 . 2 . 3 . 4]" 1
1850 1 16 THR HA 2 14 GLY QA 2.500 . 2.700 1.805 1.776 1.852 0.024 32 0 "[ . 1 . 2 . 3 . 4]" 1
1851 1 14 GLY QA 2 16 THR HB 4.000 . 5.000 2.066 1.928 2.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1852 1 16 THR HB 2 14 GLY QA 4.000 . 5.000 2.066 1.929 2.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1853 1 14 GLY QA 2 16 THR HG1 4.000 . 5.000 3.724 2.304 3.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1854 1 16 THR HG1 2 14 GLY QA 4.000 . 5.000 3.724 2.305 3.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1855 1 14 GLY QA 2 16 THR MG 3.000 . 3.800 3.622 3.521 3.818 0.018 13 0 "[ . 1 . 2 . 3 . 4]" 1
1856 1 16 THR MG 2 14 GLY QA 3.000 . 3.800 3.622 3.521 3.818 0.018 13 0 "[ . 1 . 2 . 3 . 4]" 1
1857 1 14 GLY QA 2 17 THR H 3.000 . 3.500 3.023 2.830 3.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1858 1 17 THR H 2 14 GLY QA 3.000 . 3.500 3.022 2.831 3.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1859 1 15 GLU H 2 16 THR HA 3.000 . 3.500 3.100 2.942 3.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1860 1 16 THR HA 2 15 GLU H 3.000 . 3.500 3.100 2.942 3.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1861 1 15 GLU H 2 16 THR HB 4.000 . 6.000 3.630 3.420 3.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1862 1 16 THR HB 2 15 GLU H 4.000 . 6.000 3.630 3.419 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1863 1 15 GLU H 2 16 THR MG 4.000 . 6.500 4.584 4.394 4.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1864 1 16 THR MG 2 15 GLU H 4.000 . 6.500 4.584 4.393 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1865 1 18 THR MG 2 52 PHE QD 4.000 . 7.000 4.527 3.394 4.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1866 1 52 PHE QD 2 18 THR MG 4.000 . 7.000 4.527 3.393 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1867 1 18 THR MG 2 52 PHE QE 4.000 . 6.000 4.328 3.398 4.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1868 1 52 PHE QE 2 18 THR MG 4.000 . 6.000 4.328 3.398 4.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1869 1 20 ALA MB 2 52 PHE QE 4.000 . 6.000 5.847 4.888 6.015 0.015 19 0 "[ . 1 . 2 . 3 . 4]" 1
1870 1 52 PHE QE 2 20 ALA MB 4.000 . 6.000 5.847 4.888 6.014 0.014 19 0 "[ . 1 . 2 . 3 . 4]" 1
1871 1 23 ALA MB 2 45 TYR QE 4.000 . 6.000 2.753 2.377 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1872 1 45 TYR QE 2 23 ALA MB 4.000 . 6.000 2.752 2.377 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1873 1 23 ALA MB 2 50 LYS HA 4.000 . 6.500 4.554 3.960 4.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1874 1 50 LYS HA 2 23 ALA MB 4.000 . 6.500 4.554 3.961 4.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1875 1 23 ALA HA 2 52 PHE QD 4.000 . 6.500 5.579 5.229 5.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1876 1 52 PHE QD 2 23 ALA HA 4.000 . 6.500 5.579 5.229 5.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1877 1 23 ALA HA 2 52 PHE QE 3.000 . 3.800 3.541 3.126 3.813 0.013 19 0 "[ . 1 . 2 . 3 . 4]" 1
1878 1 52 PHE QE 2 23 ALA HA 3.000 . 3.800 3.541 3.126 3.814 0.014 19 0 "[ . 1 . 2 . 3 . 4]" 1
1879 1 23 ALA MB 2 52 PHE QD 4.000 . 6.000 4.712 4.351 5.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1880 1 52 PHE QD 2 23 ALA MB 4.000 . 6.000 4.712 4.351 5.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1881 1 23 ALA MB 2 52 PHE QE 2.500 . 3.700 2.960 2.349 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1882 1 52 PHE QE 2 23 ALA MB 2.500 . 3.700 2.960 2.349 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1883 1 24 ALA HA 2 52 PHE QE 4.000 . 5.500 4.456 3.997 4.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1884 1 52 PHE QE 2 24 ALA HA 4.000 . 5.500 4.455 3.997 4.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1885 1 26 ALA HA 2 52 PHE QE 4.000 . 6.500 6.036 4.955 6.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1886 1 52 PHE QE 2 26 ALA HA 4.000 . 6.500 6.036 4.953 6.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1887 1 26 ALA MB 2 52 PHE QD 4.000 . 6.000 4.485 3.762 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1888 1 52 PHE QD 2 26 ALA MB 4.000 . 6.000 4.485 3.761 4.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1889 1 26 ALA MB 2 52 PHE QE 2.500 . 3.700 3.311 2.264 3.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1890 1 52 PHE QE 2 26 ALA MB 2.500 . 3.700 3.311 2.264 3.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1891 1 27 GLU HA 2 43 TRP HE3 4.000 . 6.000 4.063 3.731 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1892 1 43 TRP HE3 2 27 GLU HA 4.000 . 6.000 4.063 3.730 4.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1893 1 27 GLU HA 2 43 TRP HH2 4.000 . 6.000 5.294 5.065 5.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1894 1 43 TRP HH2 2 27 GLU HA 4.000 . 6.000 5.294 5.066 5.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1895 1 27 GLU HA 2 43 TRP HZ3 3.000 . 3.300 3.207 2.891 3.328 0.028 2 0 "[ . 1 . 2 . 3 . 4]" 1
1896 1 43 TRP HZ3 2 27 GLU HA 3.000 . 3.300 3.207 2.891 3.328 0.028 2 0 "[ . 1 . 2 . 3 . 4]" 1
1897 1 27 GLU QG 2 43 TRP HZ3 4.000 . 6.000 3.367 2.837 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1898 1 43 TRP HZ3 2 27 GLU QG 4.000 . 6.000 3.367 2.837 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1899 1 27 GLU QG 2 43 TRP HE3 4.000 . 5.000 2.880 2.272 4.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1900 1 43 TRP HE3 2 27 GLU QG 4.000 . 5.000 2.880 2.273 4.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1901 1 27 GLU QB 2 43 TRP HZ3 4.000 . 6.000 4.707 4.389 4.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1902 1 43 TRP HZ3 2 27 GLU QB 4.000 . 6.000 4.708 4.388 4.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1903 1 27 GLU QB 2 45 TYR QB 4.000 . 6.000 5.024 4.697 5.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1904 1 45 TYR QB 2 27 GLU QB 4.000 . 6.000 5.024 4.698 5.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1905 1 27 GLU HA 2 52 PHE QE 4.000 . 5.500 4.147 3.831 4.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1906 1 52 PHE QE 2 27 GLU HA 4.000 . 5.500 4.147 3.830 4.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1907 1 27 GLU QG 2 52 PHE QE 4.000 . 6.500 3.678 2.725 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1908 1 52 PHE QE 2 27 GLU QG 4.000 . 6.500 3.677 2.726 4.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1909 1 27 GLU QG 2 52 PHE HZ 4.000 . 6.000 5.304 4.335 6.015 0.015 25 0 "[ . 1 . 2 . 3 . 4]" 1
1910 1 52 PHE HZ 2 27 GLU QG 4.000 . 6.000 5.304 4.333 6.017 0.017 25 0 "[ . 1 . 2 . 3 . 4]" 1
1911 1 27 GLU QB 2 52 PHE QD 4.000 . 5.500 3.698 3.298 4.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1912 1 52 PHE QD 2 27 GLU QB 4.000 . 5.500 3.698 3.298 4.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1913 1 27 GLU QB 2 52 PHE QE 3.000 . 3.800 2.528 2.243 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1914 1 52 PHE QE 2 27 GLU QB 3.000 . 3.800 2.527 2.242 3.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1915 1 27 GLU H 2 52 PHE QE 3.000 . 4.000 4.011 3.817 4.045 0.045 2 0 "[ . 1 . 2 . 3 . 4]" 1
1916 1 52 PHE QE 2 27 GLU H 3.000 . 4.000 4.011 3.817 4.045 0.045 2 0 "[ . 1 . 2 . 3 . 4]" 1
1917 1 30 VAL HB 2 43 TRP HH2 3.000 . 3.300 2.696 2.073 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1918 1 43 TRP HH2 2 30 VAL HB 3.000 . 3.300 2.696 2.072 3.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1919 1 30 VAL HB 2 43 TRP HZ2 4.000 . 6.000 5.033 4.478 5.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1920 1 43 TRP HZ2 2 30 VAL HB 4.000 . 6.000 5.033 4.477 5.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1921 1 30 VAL HB 2 43 TRP HZ3 4.000 . 5.000 1.804 1.772 1.936 0.028 35 0 "[ . 1 . 2 . 3 . 4]" 1
1922 1 43 TRP HZ3 2 30 VAL HB 4.000 . 5.000 1.804 1.771 1.938 0.029 2 0 "[ . 1 . 2 . 3 . 4]" 1
1923 1 30 VAL QG 2 43 TRP HE3 4.000 . 6.500 3.608 3.341 3.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1924 1 43 TRP HE3 2 30 VAL QG 4.000 . 6.500 3.608 3.342 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1925 1 30 VAL QG 2 43 TRP HZ2 4.000 . 5.500 3.596 3.180 3.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1926 1 43 TRP HZ2 2 30 VAL QG 4.000 . 5.500 3.596 3.180 3.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1927 1 30 VAL QG 2 43 TRP HZ3 4.000 . 5.500 2.082 1.837 2.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1928 1 43 TRP HZ3 2 30 VAL QG 4.000 . 5.500 2.082 1.836 2.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1929 1 30 VAL QG 2 43 TRP HH2 3.000 . 3.800 1.913 1.833 2.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1930 1 43 TRP HH2 2 30 VAL QG 3.000 . 3.800 1.913 1.833 2.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1931 1 30 VAL QG 2 54 VAL QG 4.000 . 5.500 3.110 2.751 3.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1932 1 54 VAL QG 2 30 VAL QG 4.000 . 5.500 3.109 2.751 3.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1933 1 31 LYS HA 2 39 VAL HA 4.000 . 5.000 4.335 3.584 4.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1934 1 39 VAL HA 2 31 LYS HA 4.000 . 5.000 4.334 3.583 4.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1935 1 31 LYS QB 2 39 VAL HA 4.000 . 6.000 3.824 3.226 4.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1936 1 39 VAL HA 2 31 LYS QB 4.000 . 6.000 3.824 3.226 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1937 1 31 LYS QB 2 39 VAL QG 4.000 . 6.500 3.257 2.452 3.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1938 1 39 VAL QG 2 31 LYS QB 4.000 . 6.500 3.258 2.453 3.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1939 1 31 LYS QG 2 39 VAL HA 4.000 . 5.000 4.010 2.621 5.067 0.067 13 0 "[ . 1 . 2 . 3 . 4]" 1
1940 1 39 VAL HA 2 31 LYS QG 4.000 . 5.000 4.009 2.621 5.068 0.068 13 0 "[ . 1 . 2 . 3 . 4]" 1
1941 1 31 LYS QD 2 39 VAL HA 4.000 . 5.000 4.357 3.017 5.042 0.042 18 0 "[ . 1 . 2 . 3 . 4]" 1
1942 1 39 VAL HA 2 31 LYS QD 4.000 . 5.000 4.357 3.017 5.040 0.040 18 0 "[ . 1 . 2 . 3 . 4]" 1
1943 1 31 LYS QE 2 39 VAL HA 4.000 . 6.000 4.044 2.092 5.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1944 1 39 VAL HA 2 31 LYS QE 4.000 . 6.000 4.044 2.092 5.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1945 1 31 LYS HA 2 43 TRP HZ2 4.000 . 5.000 3.023 2.449 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1946 1 43 TRP HZ2 2 31 LYS HA 4.000 . 5.000 3.024 2.451 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1947 1 31 LYS HA 2 43 TRP HH2 4.000 . 6.000 2.404 1.920 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1948 1 43 TRP HH2 2 31 LYS HA 4.000 . 6.000 2.404 1.918 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1949 1 31 LYS QE 2 43 TRP HD1 4.000 . 6.000 5.203 3.772 6.009 0.009 26 0 "[ . 1 . 2 . 3 . 4]" 1
1950 1 43 TRP HD1 2 31 LYS QE 4.000 . 6.000 5.203 3.771 6.009 0.009 26 0 "[ . 1 . 2 . 3 . 4]" 1
1951 1 31 LYS QE 2 43 TRP HZ2 4.000 . 5.000 4.443 3.202 5.029 0.029 9 0 "[ . 1 . 2 . 3 . 4]" 1
1952 1 43 TRP HZ2 2 31 LYS QE 4.000 . 5.000 4.443 3.203 5.029 0.029 9 0 "[ . 1 . 2 . 3 . 4]" 1
1953 1 31 LYS QE 2 43 TRP HE1 4.000 . 5.000 4.681 3.128 5.048 0.048 11 0 "[ . 1 . 2 . 3 . 4]" 1
1954 1 43 TRP HE1 2 31 LYS QE 4.000 . 5.000 4.681 3.129 5.050 0.050 11 0 "[ . 1 . 2 . 3 . 4]" 1
1955 1 31 LYS QG 2 43 TRP HZ2 4.000 . 5.000 3.987 2.908 5.052 0.052 13 0 "[ . 1 . 2 . 3 . 4]" 1
1956 1 43 TRP HZ2 2 31 LYS QG 4.000 . 5.000 3.987 2.908 5.053 0.053 13 0 "[ . 1 . 2 . 3 . 4]" 1
1957 1 31 LYS QD 2 43 TRP HZ2 4.000 . 6.000 4.243 2.854 5.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1958 1 43 TRP HZ2 2 31 LYS QD 4.000 . 6.000 4.244 2.856 5.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1959 1 31 LYS H 2 43 TRP HH2 4.000 . 5.000 3.082 2.725 3.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1960 1 43 TRP HH2 2 31 LYS H 4.000 . 5.000 3.082 2.725 3.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1961 1 33 PHE QD 2 54 VAL QG 4.000 . 7.000 5.733 5.478 6.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1962 1 54 VAL QG 2 33 PHE QD 4.000 . 7.000 5.733 5.478 6.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1963 1 33 PHE QE 2 54 VAL QG 4.000 . 7.000 6.593 6.290 6.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1964 1 54 VAL QG 2 33 PHE QE 4.000 . 7.000 6.593 6.289 6.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1965 1 34 PHE HA 2 34 PHE QD 4.000 . 5.500 3.857 3.662 4.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1966 1 34 PHE QD 2 34 PHE HA 4.000 . 5.500 3.857 3.663 4.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1967 1 34 PHE HA 2 34 PHE QE 4.000 . 6.500 5.063 4.953 5.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1968 1 34 PHE QE 2 34 PHE HA 4.000 . 6.500 5.063 4.953 5.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1969 1 34 PHE QE 2 37 ASN QB 4.000 . 5.500 3.956 3.532 4.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1970 1 37 ASN QB 2 34 PHE QE 4.000 . 5.500 3.956 3.532 4.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1971 1 34 PHE QD 2 37 ASN QB 4.000 . 5.000 3.296 2.992 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1972 1 37 ASN QB 2 34 PHE QD 4.000 . 5.000 3.295 2.993 3.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1973 1 34 PHE QB 2 38 GLY QA 4.000 . 5.000 1.967 1.793 2.244 0.007 24 0 "[ . 1 . 2 . 3 . 4]" 1
1974 1 38 GLY QA 2 34 PHE QB 4.000 . 5.000 1.967 1.792 2.242 0.008 24 0 "[ . 1 . 2 . 3 . 4]" 1
1975 1 34 PHE HA 2 38 GLY H 4.000 . 5.000 5.058 5.003 5.092 0.092 14 0 "[ . 1 . 2 . 3 . 4]" 1
1976 1 38 GLY H 2 34 PHE HA 4.000 . 5.000 5.058 5.002 5.090 0.090 14 0 "[ . 1 . 2 . 3 . 4]" 1
1977 1 34 PHE QB 2 38 GLY H 4.000 . 5.000 2.828 2.639 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1978 1 38 GLY H 2 34 PHE QB 4.000 . 5.000 2.828 2.641 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1979 1 34 PHE QD 2 38 GLY QA 4.000 . 5.500 3.944 3.605 4.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1980 1 38 GLY QA 2 34 PHE QD 4.000 . 5.500 3.944 3.605 4.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1981 1 34 PHE QB 2 39 VAL QG 4.000 . 5.500 4.346 3.796 4.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1982 1 39 VAL QG 2 34 PHE QB 4.000 . 5.500 4.346 3.796 4.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1983 1 34 PHE QD 2 39 VAL QG 4.000 . 6.000 5.617 4.985 6.067 0.067 13 0 "[ . 1 . 2 . 3 . 4]" 1
1984 1 39 VAL QG 2 34 PHE QD 4.000 . 6.000 5.617 4.986 6.066 0.066 13 0 "[ . 1 . 2 . 3 . 4]" 1
1985 1 34 PHE QB 2 39 VAL H 4.000 . 6.000 4.688 4.471 4.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1986 1 39 VAL H 2 34 PHE QB 4.000 . 6.000 4.688 4.469 4.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1987 1 34 PHE QD 2 43 TRP HH2 4.000 . 6.500 2.234 1.972 2.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1988 1 43 TRP HH2 2 34 PHE QD 4.000 . 6.500 2.234 1.973 2.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1989 1 34 PHE QD 2 43 TRP HZ2 4.000 . 5.500 1.951 1.879 2.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1990 1 43 TRP HZ2 2 34 PHE QD 4.000 . 5.500 1.951 1.878 2.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1991 1 34 PHE QE 2 43 TRP HH2 3.000 . 3.800 3.147 2.521 3.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1992 1 43 TRP HH2 2 34 PHE QE 3.000 . 3.800 3.147 2.519 3.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1993 1 34 PHE QE 2 43 TRP HZ2 3.000 . 3.800 3.774 3.559 3.840 0.040 36 0 "[ . 1 . 2 . 3 . 4]" 1
1994 1 43 TRP HZ2 2 34 PHE QE 3.000 . 3.800 3.774 3.559 3.841 0.041 36 0 "[ . 1 . 2 . 3 . 4]" 1
1995 1 34 PHE QE 2 54 VAL HB 4.000 . 5.500 4.437 3.918 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1996 1 54 VAL HB 2 34 PHE QE 4.000 . 5.500 4.437 3.918 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1997 1 34 PHE HZ 2 54 VAL HB 4.000 . 5.000 4.997 4.662 5.061 0.061 34 0 "[ . 1 . 2 . 3 . 4]" 1
1998 1 54 VAL HB 2 34 PHE HZ 4.000 . 5.000 4.997 4.662 5.062 0.062 34 0 "[ . 1 . 2 . 3 . 4]" 1
1999 1 34 PHE QD 2 54 VAL QG 4.000 . 7.000 3.490 3.179 3.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2000 1 54 VAL QG 2 34 PHE QD 4.000 . 7.000 3.490 3.178 3.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2001 1 34 PHE QE 2 54 VAL QG 4.000 . 6.000 2.620 2.271 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2002 1 54 VAL QG 2 34 PHE QE 4.000 . 6.000 2.620 2.271 2.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2003 1 34 PHE HZ 2 54 VAL QG 4.000 . 5.500 3.809 3.562 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2004 1 54 VAL QG 2 34 PHE HZ 4.000 . 5.500 3.809 3.563 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2005 1 35 ASN HA 2 39 VAL HB 4.000 . 5.000 4.992 4.783 5.072 0.072 25 0 "[ . 1 . 2 . 3 . 4]" 1
2006 1 39 VAL HB 2 35 ASN HA 4.000 . 5.000 4.992 4.783 5.077 0.077 25 0 "[ . 1 . 2 . 3 . 4]" 1
2007 1 35 ASN HA 2 39 VAL QG 3.000 . 3.800 2.567 2.249 2.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2008 1 39 VAL QG 2 35 ASN HA 3.000 . 3.800 2.566 2.249 2.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2009 1 35 ASN QB 2 39 VAL QG 3.000 . 3.800 2.262 1.946 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2010 1 39 VAL QG 2 35 ASN QB 3.000 . 3.800 2.262 1.946 2.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2011 1 35 ASN QD 2 39 VAL QG 4.000 . 5.500 1.794 1.773 1.871 0.027 7 0 "[ . 1 . 2 . 3 . 4]" 1
2012 1 39 VAL QG 2 35 ASN QD 4.000 . 5.500 1.794 1.772 1.870 0.028 7 0 "[ . 1 . 2 . 3 . 4]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 144
_Distance_constraint_stats_list.Viol_count 403
_Distance_constraint_stats_list.Viol_total 382.630
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0078
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0237
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 3 TYR 0.178 0.034 32 0 "[ . 1 . 2 . 3 . 4]"
1 4 LYS 1.229 0.058 19 0 "[ . 1 . 2 . 3 . 4]"
1 5 VAL 0.159 0.025 9 0 "[ . 1 . 2 . 3 . 4]"
1 6 ILE 0.577 0.042 12 0 "[ . 1 . 2 . 3 . 4]"
1 7 LEU 0.087 0.016 11 0 "[ . 1 . 2 . 3 . 4]"
1 8 ASN 0.998 0.100 32 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLY 0.292 0.068 40 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.292 0.068 40 0 "[ . 1 . 2 . 3 . 4]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLY 0.087 0.016 11 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 THR 0.159 0.025 9 0 "[ . 1 . 2 . 3 . 4]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 THR 0.178 0.034 32 0 "[ . 1 . 2 . 3 . 4]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 ASP 0.024 0.006 39 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 THR 0.024 0.006 39 0 "[ . 1 . 2 . 3 . 4]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 37 ASN 0.602 0.069 12 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLU 0.561 0.050 32 0 "[ . 1 . 2 . 3 . 4]"
1 43 TRP 0.602 0.069 12 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 0.052 0.026 20 0 "[ . 1 . 2 . 3 . 4]"
1 46 ASP 0.018 0.006 26 0 "[ . 1 . 2 . 3 . 4]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 LYS 1.127 0.058 19 0 "[ . 1 . 2 . 3 . 4]"
1 51 THR 0.018 0.006 26 0 "[ . 1 . 2 . 3 . 4]"
1 52 PHE 0.671 0.043 12 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 0.052 0.026 20 0 "[ . 1 . 2 . 3 . 4]"
1 54 VAL 0.038 0.021 16 0 "[ . 1 . 2 . 3 . 4]"
1 55 THR 0.561 0.050 32 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.958 0.099 32 0 "[ . 1 . 2 . 3 . 4]"
2 1 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 3 TYR 0.183 0.033 32 0 "[ . 1 . 2 . 3 . 4]"
2 4 LYS 1.223 0.058 19 0 "[ . 1 . 2 . 3 . 4]"
2 5 VAL 0.162 0.025 9 0 "[ . 1 . 2 . 3 . 4]"
2 6 ILE 0.575 0.043 12 0 "[ . 1 . 2 . 3 . 4]"
2 7 LEU 0.086 0.017 11 0 "[ . 1 . 2 . 3 . 4]"
2 8 ASN 0.995 0.099 32 0 "[ . 1 . 2 . 3 . 4]"
2 9 GLY 0.294 0.069 25 0 "[ . 1 . 2 . 3 . 4]"
2 12 LEU 0.294 0.069 25 0 "[ . 1 . 2 . 3 . 4]"
2 13 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 14 GLY 0.086 0.017 11 0 "[ . 1 . 2 . 3 . 4]"
2 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 16 THR 0.162 0.025 9 0 "[ . 1 . 2 . 3 . 4]"
2 17 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 18 THR 0.183 0.033 32 0 "[ . 1 . 2 . 3 . 4]"
2 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 22 ASP 0.026 0.006 39 0 "[ . 1 . 2 . 3 . 4]"
2 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 25 THR 0.026 0.006 39 0 "[ . 1 . 2 . 3 . 4]"
2 26 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 28 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 29 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 30 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 32 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 33 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 35 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 36 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 37 ASN 0.609 0.071 12 0 "[ . 1 . 2 . 3 . 4]"
2 42 GLU 0.562 0.050 32 0 "[ . 1 . 2 . 3 . 4]"
2 43 TRP 0.609 0.071 12 0 "[ . 1 . 2 . 3 . 4]"
2 44 THR 0.055 0.026 20 0 "[ . 1 . 2 . 3 . 4]"
2 46 ASP 0.019 0.007 26 0 "[ . 1 . 2 . 3 . 4]"
2 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 50 LYS 1.137 0.058 19 0 "[ . 1 . 2 . 3 . 4]"
2 51 THR 0.019 0.007 26 0 "[ . 1 . 2 . 3 . 4]"
2 52 PHE 0.668 0.042 12 0 "[ . 1 . 2 . 3 . 4]"
2 53 THR 0.055 0.026 20 0 "[ . 1 . 2 . 3 . 4]"
2 54 VAL 0.039 0.021 16 0 "[ . 1 . 2 . 3 . 4]"
2 55 THR 0.562 0.050 32 0 "[ . 1 . 2 . 3 . 4]"
2 56 GLU 0.958 0.100 32 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ASP O 1 26 ALA H 2.300 . 2.500 1.841 1.756 1.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 22 ASP O 1 26 ALA N 3.300 2.500 3.500 2.783 2.685 2.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 23 ALA O 1 27 GLU H 2.300 . 2.500 1.634 1.568 1.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 23 ALA O 1 27 GLU N 3.300 2.500 3.500 2.591 2.529 2.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 24 ALA O 1 28 LYS H 2.300 . 2.500 1.673 1.571 1.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 24 ALA O 1 28 LYS N 3.300 2.500 3.500 2.639 2.539 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 25 THR O 1 29 VAL H 2.300 . 2.500 1.797 1.632 2.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 25 THR O 1 29 VAL N 3.300 2.500 3.500 2.730 2.597 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 26 ALA O 1 30 VAL H 2.300 . 2.500 1.902 1.655 2.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 26 ALA O 1 30 VAL N 3.300 2.500 3.500 2.810 2.589 3.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 27 GLU O 1 31 LYS H 2.300 . 2.500 1.966 1.661 2.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 27 GLU O 1 31 LYS N 3.300 2.500 3.500 2.911 2.607 3.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 28 LYS O 1 32 GLN H 2.300 . 2.500 2.026 1.741 2.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 28 LYS O 1 32 GLN N 3.300 2.500 3.500 2.974 2.690 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 29 VAL O 1 33 PHE H 2.300 . 2.500 2.138 1.934 2.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 29 VAL O 1 33 PHE N 3.300 2.500 3.500 2.991 2.793 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 30 VAL O 1 34 PHE H 2.300 . 2.500 2.050 1.748 2.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 30 VAL O 1 34 PHE N 3.300 2.500 3.500 2.981 2.703 3.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 31 LYS O 1 35 ASN H 2.300 . 2.500 1.697 1.623 1.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 31 LYS O 1 35 ASN N 3.300 2.500 3.500 2.595 2.536 2.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 32 GLN O 1 36 ASP H 2.300 . 2.500 1.983 1.828 2.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 32 GLN O 1 36 ASP N 3.300 2.500 3.500 2.826 2.695 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 1 MET O 1 20 ALA H 2.300 . 2.500 2.241 1.950 2.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 1 MET O 1 20 ALA N 3.300 2.500 3.500 3.061 2.832 3.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 3 TYR H 1 18 THR O 2.300 . 2.500 2.052 1.827 2.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 3 TYR N 1 18 THR O 3.300 2.500 3.500 2.976 2.746 3.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 3 TYR O 1 18 THR H 2.300 . 2.500 2.326 1.950 2.534 0.034 32 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 3 TYR O 1 18 THR N 3.300 2.500 3.500 3.040 2.689 3.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 5 VAL H 1 16 THR O 2.300 . 2.500 1.761 1.538 1.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
30 1 5 VAL N 1 16 THR O 3.300 2.500 3.500 2.518 2.475 2.559 0.025 9 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 5 VAL O 1 16 THR H 2.300 . 2.500 1.666 1.570 1.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 5 VAL O 1 16 THR N 3.300 2.500 3.500 2.576 2.488 2.737 0.012 12 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 7 LEU H 1 14 GLY O 2.300 . 2.500 2.332 2.167 2.502 0.002 7 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 7 LEU N 1 14 GLY O 3.300 2.500 3.500 3.184 2.969 3.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 7 LEU O 1 14 GLY H 2.300 . 2.500 2.386 2.056 2.516 0.016 11 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 7 LEU O 1 14 GLY N 3.300 2.500 3.500 3.098 2.796 3.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 9 GLY H 1 12 LEU O 2.300 . 2.500 1.795 1.704 1.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 9 GLY N 1 12 LEU O 3.300 2.500 3.500 2.587 2.432 2.756 0.068 40 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 47 ASP O 1 50 LYS H 2.300 . 2.500 2.149 2.052 2.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 47 ASP O 1 50 LYS N 3.300 2.500 3.500 3.060 2.969 3.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 46 ASP O 1 51 THR H 2.300 . 2.500 2.405 2.267 2.506 0.006 26 0 "[ . 1 . 2 . 3 . 4]" 2
42 1 46 ASP O 1 51 THR N 3.300 2.500 3.500 3.339 3.177 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
43 1 46 ASP H 1 51 THR O 2.300 . 2.500 1.898 1.700 2.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
44 1 46 ASP N 1 51 THR O 3.300 2.500 3.500 2.788 2.591 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
45 1 44 THR O 1 53 THR H 2.300 . 2.500 1.848 1.628 2.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
46 1 44 THR O 1 53 THR N 3.300 2.500 3.500 2.720 2.548 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
47 1 44 THR H 1 53 THR O 2.300 . 2.500 1.975 1.663 2.526 0.026 20 0 "[ . 1 . 2 . 3 . 4]" 2
48 1 44 THR N 1 53 THR O 3.300 2.500 3.500 2.925 2.571 3.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
49 1 42 GLU O 1 55 THR H 2.300 . 2.500 2.438 2.073 2.550 0.050 32 0 "[ . 1 . 2 . 3 . 4]" 2
50 1 42 GLU O 1 55 THR N 3.300 2.500 3.500 3.371 3.042 3.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
51 1 22 ASP OD1 1 25 THR N 3.300 2.500 3.500 2.674 2.494 3.119 0.006 39 0 "[ . 1 . 2 . 3 . 4]" 2
52 1 22 ASP OD1 1 25 THR H 2.300 . 2.500 1.767 1.560 2.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
53 1 37 ASN O 1 43 TRP NE1 3.300 2.500 3.500 3.327 3.046 3.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
54 1 37 ASN O 1 43 TRP HE1 2.300 . 2.500 2.446 2.155 2.569 0.069 12 0 "[ . 1 . 2 . 3 . 4]" 2
55 2 22 ASP O 2 26 ALA H 2.300 . 2.500 1.841 1.755 1.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
56 2 22 ASP O 2 26 ALA N 3.300 2.500 3.500 2.782 2.684 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
57 2 23 ALA O 2 27 GLU H 2.300 . 2.500 1.634 1.568 1.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
58 2 23 ALA O 2 27 GLU N 3.300 2.500 3.500 2.591 2.528 2.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
59 2 24 ALA O 2 28 LYS H 2.300 . 2.500 1.673 1.570 1.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
60 2 24 ALA O 2 28 LYS N 3.300 2.500 3.500 2.639 2.539 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
61 2 25 THR O 2 29 VAL H 2.300 . 2.500 1.797 1.632 2.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
62 2 25 THR O 2 29 VAL N 3.300 2.500 3.500 2.729 2.597 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
63 2 26 ALA O 2 30 VAL H 2.300 . 2.500 1.902 1.653 2.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
64 2 26 ALA O 2 30 VAL N 3.300 2.500 3.500 2.810 2.588 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
65 2 27 GLU O 2 31 LYS H 2.300 . 2.500 1.966 1.661 2.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
66 2 27 GLU O 2 31 LYS N 3.300 2.500 3.500 2.911 2.607 3.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
67 2 28 LYS O 2 32 GLN H 2.300 . 2.500 2.027 1.741 2.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
68 2 28 LYS O 2 32 GLN N 3.300 2.500 3.500 2.974 2.691 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
69 2 29 VAL O 2 33 PHE H 2.300 . 2.500 2.138 1.935 2.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
70 2 29 VAL O 2 33 PHE N 3.300 2.500 3.500 2.991 2.795 3.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
71 2 30 VAL O 2 34 PHE H 2.300 . 2.500 2.050 1.748 2.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
72 2 30 VAL O 2 34 PHE N 3.300 2.500 3.500 2.982 2.703 3.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
73 2 31 LYS O 2 35 ASN H 2.300 . 2.500 1.697 1.624 1.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
74 2 31 LYS O 2 35 ASN N 3.300 2.500 3.500 2.595 2.536 2.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
75 2 32 GLN O 2 36 ASP H 2.300 . 2.500 1.982 1.828 2.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
76 2 32 GLN O 2 36 ASP N 3.300 2.500 3.500 2.825 2.696 2.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
77 2 1 MET O 2 20 ALA H 2.300 . 2.500 2.241 1.949 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
78 2 1 MET O 2 20 ALA N 3.300 2.500 3.500 3.060 2.834 3.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
79 2 3 TYR H 2 18 THR O 2.300 . 2.500 2.052 1.827 2.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
80 2 3 TYR N 2 18 THR O 3.300 2.500 3.500 2.975 2.747 3.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
81 2 3 TYR O 2 18 THR H 2.300 . 2.500 2.326 1.948 2.533 0.033 32 0 "[ . 1 . 2 . 3 . 4]" 2
82 2 3 TYR O 2 18 THR N 3.300 2.500 3.500 3.040 2.691 3.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
83 2 5 VAL H 2 16 THR O 2.300 . 2.500 1.761 1.539 1.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
84 2 5 VAL N 2 16 THR O 3.300 2.500 3.500 2.518 2.475 2.561 0.025 9 0 "[ . 1 . 2 . 3 . 4]" 2
85 2 5 VAL O 2 16 THR H 2.300 . 2.500 1.666 1.571 1.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
86 2 5 VAL O 2 16 THR N 3.300 2.500 3.500 2.576 2.487 2.737 0.013 12 0 "[ . 1 . 2 . 3 . 4]" 2
87 2 7 LEU H 2 14 GLY O 2.300 . 2.500 2.331 2.166 2.502 0.002 7 0 "[ . 1 . 2 . 3 . 4]" 2
88 2 7 LEU N 2 14 GLY O 3.300 2.500 3.500 3.184 2.968 3.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
89 2 7 LEU O 2 14 GLY H 2.300 . 2.500 2.387 2.055 2.517 0.017 11 0 "[ . 1 . 2 . 3 . 4]" 2
90 2 7 LEU O 2 14 GLY N 3.300 2.500 3.500 3.099 2.796 3.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
91 2 9 GLY H 2 12 LEU O 2.300 . 2.500 1.795 1.705 1.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
92 2 9 GLY N 2 12 LEU O 3.300 2.500 3.500 2.587 2.431 2.755 0.069 25 0 "[ . 1 . 2 . 3 . 4]" 2
93 2 47 ASP O 2 50 LYS H 2.300 . 2.500 2.149 2.052 2.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
94 2 47 ASP O 2 50 LYS N 3.300 2.500 3.500 3.061 2.972 3.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
95 2 46 ASP O 2 51 THR H 2.300 . 2.500 2.405 2.267 2.507 0.007 26 0 "[ . 1 . 2 . 3 . 4]" 2
96 2 46 ASP O 2 51 THR N 3.300 2.500 3.500 3.339 3.177 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
97 2 46 ASP H 2 51 THR O 2.300 . 2.500 1.898 1.701 2.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
98 2 46 ASP N 2 51 THR O 3.300 2.500 3.500 2.788 2.592 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
99 2 44 THR O 2 53 THR H 2.300 . 2.500 1.848 1.630 2.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
100 2 44 THR O 2 53 THR N 3.300 2.500 3.500 2.720 2.549 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
101 2 44 THR H 2 53 THR O 2.300 . 2.500 1.975 1.661 2.526 0.026 20 0 "[ . 1 . 2 . 3 . 4]" 2
102 2 44 THR N 2 53 THR O 3.300 2.500 3.500 2.925 2.569 3.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
103 2 42 GLU O 2 55 THR H 2.300 . 2.500 2.438 2.072 2.550 0.050 32 0 "[ . 1 . 2 . 3 . 4]" 2
104 2 42 GLU O 2 55 THR N 3.300 2.500 3.500 3.371 3.038 3.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
105 2 22 ASP OD1 2 25 THR N 3.300 2.500 3.500 2.674 2.494 3.121 0.006 39 0 "[ . 1 . 2 . 3 . 4]" 2
106 2 22 ASP OD1 2 25 THR H 2.300 . 2.500 1.767 1.561 2.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
107 2 37 ASN O 2 43 TRP NE1 3.300 2.500 3.500 3.327 3.046 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
108 2 37 ASN O 2 43 TRP HE1 2.300 . 2.500 2.446 2.155 2.571 0.071 12 0 "[ . 1 . 2 . 3 . 4]" 2
109 1 4 LYS H 2 50 LYS O 2.300 . 2.500 2.520 2.331 2.558 0.058 19 0 "[ . 1 . 2 . 3 . 4]" 2
110 1 50 LYS O 2 4 LYS H 2.300 . 2.500 2.520 2.329 2.558 0.058 19 0 "[ . 1 . 2 . 3 . 4]" 2
111 1 4 LYS N 2 50 LYS O 3.300 2.500 3.500 3.415 3.223 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
112 1 50 LYS O 2 4 LYS N 3.300 2.500 3.500 3.415 3.222 3.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
113 1 52 PHE H 2 4 LYS O 2.300 . 2.500 2.318 1.843 2.524 0.024 13 0 "[ . 1 . 2 . 3 . 4]" 2
114 1 4 LYS O 2 52 PHE H 2.300 . 2.500 2.318 1.842 2.524 0.024 13 0 "[ . 1 . 2 . 3 . 4]" 2
115 1 52 PHE N 2 4 LYS O 3.300 2.500 3.500 3.174 2.777 3.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
116 1 4 LYS O 2 52 PHE N 3.300 2.500 3.500 3.174 2.775 3.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
117 1 6 ILE H 2 52 PHE O 2.300 . 2.500 1.701 1.507 2.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
118 1 52 PHE O 2 6 ILE H 2.300 . 2.500 1.701 1.508 2.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
119 1 6 ILE N 2 52 PHE O 3.300 2.500 3.500 2.578 2.458 3.082 0.042 12 0 "[ . 1 . 2 . 3 . 4]" 2
120 1 52 PHE O 2 6 ILE N 3.300 2.500 3.500 2.578 2.457 3.080 0.043 12 0 "[ . 1 . 2 . 3 . 4]" 2
121 1 54 VAL H 2 6 ILE O 2.300 . 2.500 1.841 1.608 2.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
122 1 6 ILE O 2 54 VAL H 2.300 . 2.500 1.840 1.608 2.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
123 1 54 VAL N 2 6 ILE O 3.300 2.500 3.500 2.752 2.543 3.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
124 1 6 ILE O 2 54 VAL N 3.300 2.500 3.500 2.752 2.544 3.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
125 1 8 ASN H 2 54 VAL O 2.300 . 2.500 2.242 1.928 2.521 0.021 16 0 "[ . 1 . 2 . 3 . 4]" 2
126 1 54 VAL O 2 8 ASN H 2.300 . 2.500 2.243 1.929 2.521 0.021 16 0 "[ . 1 . 2 . 3 . 4]" 2
127 1 8 ASN N 2 54 VAL O 3.300 2.500 3.500 2.830 2.586 3.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
128 1 54 VAL O 2 8 ASN N 3.300 2.500 3.500 2.830 2.586 3.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
129 1 56 GLU H 2 8 ASN O 2.300 . 2.500 2.466 2.041 2.599 0.099 32 0 "[ . 1 . 2 . 3 . 4]" 2
130 1 8 ASN O 2 56 GLU H 2.300 . 2.500 2.466 2.041 2.600 0.100 32 0 "[ . 1 . 2 . 3 . 4]" 2
131 1 56 GLU N 2 8 ASN O 3.300 2.500 3.500 3.313 2.958 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
132 1 8 ASN O 2 56 GLU N 3.300 2.500 3.500 3.313 2.960 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
133 1 13 LYS H 2 17 THR O 2.300 . 2.500 2.085 1.816 2.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
134 1 17 THR O 2 13 LYS H 2.300 . 2.500 2.084 1.817 2.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
135 1 13 LYS N 2 17 THR O 3.300 2.500 3.500 3.032 2.783 3.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
136 1 17 THR O 2 13 LYS N 3.300 2.500 3.500 3.032 2.783 3.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
137 1 17 THR H 2 13 LYS O 2.300 . 2.500 1.619 1.576 1.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
138 1 13 LYS O 2 17 THR H 2.300 . 2.500 1.619 1.576 1.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
139 1 17 THR N 2 13 LYS O 3.300 2.500 3.500 2.554 2.507 2.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
140 1 13 LYS O 2 17 THR N 3.300 2.500 3.500 2.554 2.509 2.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
141 1 15 GLU H 2 15 GLU O 2.300 . 2.500 1.770 1.595 1.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
142 1 15 GLU O 2 15 GLU H 2.300 . 2.500 1.770 1.593 1.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
143 1 15 GLU N 2 15 GLU O 3.300 2.500 3.500 2.722 2.574 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
144 1 15 GLU O 2 15 GLU N 3.300 2.500 3.500 2.722 2.571 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 4:16:35 AM GMT (wattos1)