NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
557635 |
2lp3   |
18231 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lp3
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 2261
_Distance_constraint_stats_list.Viol_count 2210
_Distance_constraint_stats_list.Viol_total 1136.422
_Distance_constraint_stats_list.Viol_max 0.417
_Distance_constraint_stats_list.Viol_rms 0.0082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0257
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.157 0.105 5 0 "[ . 1 . 2]"
1 3 GLU 1.412 0.110 15 0 "[ . 1 . 2]"
1 4 LEU 0.589 0.075 3 0 "[ . 1 . 2]"
1 5 GLU 0.008 0.008 17 0 "[ . 1 . 2]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 1.368 0.106 2 0 "[ . 1 . 2]"
1 8 MET 2.849 0.094 15 0 "[ . 1 . 2]"
1 9 GLU 0.973 0.080 19 0 "[ . 1 . 2]"
1 10 THR 0.520 0.050 17 0 "[ . 1 . 2]"
1 11 LEU 0.581 0.036 17 0 "[ . 1 . 2]"
1 12 ILE 0.573 0.046 16 0 "[ . 1 . 2]"
1 13 ASN 0.251 0.021 13 0 "[ . 1 . 2]"
1 14 VAL 2.910 0.109 15 0 "[ . 1 . 2]"
1 15 PHE 0.440 0.077 13 0 "[ . 1 . 2]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.421 0.033 11 0 "[ . 1 . 2]"
1 18 HIS 0.251 0.073 17 0 "[ . 1 . 2]"
1 19 SER 0.255 0.037 16 0 "[ . 1 . 2]"
1 20 GLY 0.157 0.020 7 0 "[ . 1 . 2]"
1 21 LYS 0.969 0.169 14 0 "[ . 1 . 2]"
1 22 GLU 0.073 0.026 6 0 "[ . 1 . 2]"
1 23 GLY 0.069 0.026 6 0 "[ . 1 . 2]"
1 25 LYS 0.215 0.062 10 0 "[ . 1 . 2]"
1 26 TYR 0.062 0.062 10 0 "[ . 1 . 2]"
1 27 LYS 0.568 0.046 15 0 "[ . 1 . 2]"
1 28 LEU 1.777 0.077 13 0 "[ . 1 . 2]"
1 29 SER 0.200 0.030 15 0 "[ . 1 . 2]"
1 30 LYS 0.329 0.045 12 0 "[ . 1 . 2]"
1 31 LYS 1.625 0.048 1 0 "[ . 1 . 2]"
1 32 GLU 2.177 0.057 12 0 "[ . 1 . 2]"
1 33 LEU 1.875 0.090 5 0 "[ . 1 . 2]"
1 34 LYS 2.274 0.072 4 0 "[ . 1 . 2]"
1 35 GLU 1.556 0.090 5 0 "[ . 1 . 2]"
1 36 LEU 1.019 0.075 3 0 "[ . 1 . 2]"
1 37 LEU 0.104 0.024 2 0 "[ . 1 . 2]"
1 38 GLN 1.231 0.046 3 0 "[ . 1 . 2]"
1 39 THR 0.468 0.026 15 0 "[ . 1 . 2]"
1 40 GLU 0.425 0.045 20 0 "[ . 1 . 2]"
1 41 LEU 0.245 0.094 11 0 "[ . 1 . 2]"
1 42 SER 0.006 0.006 11 0 "[ . 1 . 2]"
1 43 GLY 0.100 0.100 11 0 "[ . 1 . 2]"
1 44 PHE 1.518 0.094 11 0 "[ . 1 . 2]"
1 45 LEU 0.197 0.019 20 0 "[ . 1 . 2]"
1 46 ASP 0.144 0.100 11 0 "[ . 1 . 2]"
1 47 ALA 0.091 0.024 11 0 "[ . 1 . 2]"
1 48 GLN 0.148 0.030 18 0 "[ . 1 . 2]"
1 49 LYS 1.328 0.105 5 0 "[ . 1 . 2]"
1 50 ASP 0.873 0.074 19 0 "[ . 1 . 2]"
1 51 VAL 0.246 0.055 7 0 "[ . 1 . 2]"
1 52 ASP 0.246 0.055 7 0 "[ . 1 . 2]"
1 53 ALA 0.253 0.074 19 0 "[ . 1 . 2]"
1 54 VAL 0.518 0.028 7 0 "[ . 1 . 2]"
1 55 ASP 0.018 0.006 6 0 "[ . 1 . 2]"
1 56 LYS 1.703 0.100 6 0 "[ . 1 . 2]"
1 57 VAL 0.762 0.057 6 0 "[ . 1 . 2]"
1 58 MET 1.276 0.057 6 0 "[ . 1 . 2]"
1 59 LYS 0.276 0.242 15 0 "[ . 1 . 2]"
1 60 GLU 0.098 0.095 15 0 "[ . 1 . 2]"
1 61 LEU 0.574 0.242 15 0 "[ . 1 . 2]"
1 62 ASP 0.226 0.029 10 0 "[ . 1 . 2]"
1 63 GLU 1.132 0.076 20 0 "[ . 1 . 2]"
1 64 ASN 1.112 0.076 20 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.259 0.095 10 0 "[ . 1 . 2]"
1 67 GLY 0.284 0.095 10 0 "[ . 1 . 2]"
1 68 GLU 0.695 0.046 15 0 "[ . 1 . 2]"
1 69 VAL 0.426 0.103 15 0 "[ . 1 . 2]"
1 70 ASP 0.042 0.029 3 0 "[ . 1 . 2]"
1 71 PHE 0.844 0.062 1 0 "[ . 1 . 2]"
1 72 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.476 0.044 15 0 "[ . 1 . 2]"
1 75 VAL 0.398 0.105 20 0 "[ . 1 . 2]"
1 76 VAL 0.443 0.050 2 0 "[ . 1 . 2]"
1 77 LEU 0.022 0.009 5 0 "[ . 1 . 2]"
1 78 VAL 0.509 0.060 8 0 "[ . 1 . 2]"
1 79 ALA 0.317 0.106 20 0 "[ . 1 . 2]"
1 80 ALA 0.435 0.050 2 0 "[ . 1 . 2]"
1 81 LEU 0.255 0.029 20 0 "[ . 1 . 2]"
1 82 THR 0.880 0.082 20 0 "[ . 1 . 2]"
1 83 VAL 0.860 0.082 20 0 "[ . 1 . 2]"
1 84 ALA 0.151 0.016 9 0 "[ . 1 . 2]"
1 85 CYS 0.106 0.020 2 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASN 0.076 0.012 11 0 "[ . 1 . 2]"
1 88 PHE 0.658 0.416 18 0 "[ . 1 . 2]"
1 89 PHE 0.337 0.042 4 0 "[ . 1 . 2]"
1 90 TRP 0.420 0.042 4 0 "[ . 1 . 2]"
1 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASN 0.026 0.026 9 0 "[ . 1 . 2]"
1 93 SER 0.026 0.026 9 0 "[ . 1 . 2]"
2 2 SER 0.155 0.105 5 0 "[ . 1 . 2]"
2 3 GLU 1.407 0.109 15 0 "[ . 1 . 2]"
2 4 LEU 0.591 0.075 3 0 "[ . 1 . 2]"
2 5 GLU 0.048 0.025 5 0 "[ . 1 . 2]"
2 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 ALA 1.366 0.106 2 0 "[ . 1 . 2]"
2 8 MET 2.846 0.094 15 0 "[ . 1 . 2]"
2 9 GLU 0.975 0.080 19 0 "[ . 1 . 2]"
2 10 THR 0.522 0.050 17 0 "[ . 1 . 2]"
2 11 LEU 0.581 0.036 17 0 "[ . 1 . 2]"
2 12 ILE 0.569 0.046 16 0 "[ . 1 . 2]"
2 13 ASN 0.254 0.022 7 0 "[ . 1 . 2]"
2 14 VAL 2.914 0.110 15 0 "[ . 1 . 2]"
2 15 PHE 0.451 0.077 13 0 "[ . 1 . 2]"
2 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 ALA 0.421 0.034 11 0 "[ . 1 . 2]"
2 18 HIS 0.250 0.072 17 0 "[ . 1 . 2]"
2 19 SER 0.252 0.037 16 0 "[ . 1 . 2]"
2 20 GLY 0.152 0.019 7 0 "[ . 1 . 2]"
2 21 LYS 0.969 0.169 14 0 "[ . 1 . 2]"
2 22 GLU 0.073 0.025 6 0 "[ . 1 . 2]"
2 23 GLY 0.068 0.025 6 0 "[ . 1 . 2]"
2 25 LYS 0.210 0.063 10 0 "[ . 1 . 2]"
2 26 TYR 0.063 0.063 10 0 "[ . 1 . 2]"
2 27 LYS 0.565 0.047 15 0 "[ . 1 . 2]"
2 28 LEU 1.779 0.077 13 0 "[ . 1 . 2]"
2 29 SER 0.201 0.030 15 0 "[ . 1 . 2]"
2 30 LYS 0.332 0.046 12 0 "[ . 1 . 2]"
2 31 LYS 1.618 0.047 1 0 "[ . 1 . 2]"
2 32 GLU 2.167 0.057 12 0 "[ . 1 . 2]"
2 33 LEU 1.863 0.089 5 0 "[ . 1 . 2]"
2 34 LYS 2.261 0.070 4 0 "[ . 1 . 2]"
2 35 GLU 1.552 0.089 5 0 "[ . 1 . 2]"
2 36 LEU 1.020 0.075 3 0 "[ . 1 . 2]"
2 37 LEU 0.102 0.024 2 0 "[ . 1 . 2]"
2 38 GLN 1.227 0.047 3 0 "[ . 1 . 2]"
2 39 THR 0.464 0.026 15 0 "[ . 1 . 2]"
2 40 GLU 0.427 0.044 20 0 "[ . 1 . 2]"
2 41 LEU 0.204 0.093 11 0 "[ . 1 . 2]"
2 42 SER 0.007 0.007 11 0 "[ . 1 . 2]"
2 43 GLY 0.101 0.101 11 0 "[ . 1 . 2]"
2 44 PHE 1.517 0.094 15 0 "[ . 1 . 2]"
2 45 LEU 0.201 0.020 15 0 "[ . 1 . 2]"
2 46 ASP 0.146 0.101 11 0 "[ . 1 . 2]"
2 47 ALA 0.088 0.024 11 0 "[ . 1 . 2]"
2 48 GLN 0.150 0.031 18 0 "[ . 1 . 2]"
2 49 LYS 1.332 0.105 2 0 "[ . 1 . 2]"
2 50 ASP 0.880 0.075 19 0 "[ . 1 . 2]"
2 51 VAL 0.247 0.055 7 0 "[ . 1 . 2]"
2 52 ASP 0.246 0.055 7 0 "[ . 1 . 2]"
2 53 ALA 0.258 0.075 19 0 "[ . 1 . 2]"
2 54 VAL 0.515 0.029 7 0 "[ . 1 . 2]"
2 55 ASP 0.018 0.006 6 0 "[ . 1 . 2]"
2 56 LYS 1.700 0.100 6 0 "[ . 1 . 2]"
2 57 VAL 0.759 0.056 6 0 "[ . 1 . 2]"
2 58 MET 1.267 0.056 6 0 "[ . 1 . 2]"
2 59 LYS 0.277 0.243 15 0 "[ . 1 . 2]"
2 60 GLU 0.098 0.094 15 0 "[ . 1 . 2]"
2 61 LEU 0.574 0.243 15 0 "[ . 1 . 2]"
2 62 ASP 0.221 0.028 10 0 "[ . 1 . 2]"
2 63 GLU 1.133 0.076 20 0 "[ . 1 . 2]"
2 64 ASN 1.113 0.076 20 0 "[ . 1 . 2]"
2 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 ASP 0.259 0.095 10 0 "[ . 1 . 2]"
2 67 GLY 0.284 0.095 10 0 "[ . 1 . 2]"
2 68 GLU 0.694 0.047 15 0 "[ . 1 . 2]"
2 69 VAL 0.425 0.102 15 0 "[ . 1 . 2]"
2 70 ASP 0.041 0.028 3 0 "[ . 1 . 2]"
2 71 PHE 0.844 0.062 1 0 "[ . 1 . 2]"
2 72 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 TYR 0.480 0.044 15 0 "[ . 1 . 2]"
2 75 VAL 0.400 0.106 20 0 "[ . 1 . 2]"
2 76 VAL 0.436 0.050 2 0 "[ . 1 . 2]"
2 77 LEU 0.023 0.010 5 0 "[ . 1 . 2]"
2 78 VAL 0.513 0.060 8 0 "[ . 1 . 2]"
2 79 ALA 0.318 0.105 20 0 "[ . 1 . 2]"
2 80 ALA 0.441 0.050 2 0 "[ . 1 . 2]"
2 81 LEU 0.256 0.029 20 0 "[ . 1 . 2]"
2 82 THR 0.879 0.082 20 0 "[ . 1 . 2]"
2 83 VAL 0.857 0.082 20 0 "[ . 1 . 2]"
2 84 ALA 0.150 0.017 9 0 "[ . 1 . 2]"
2 85 CYS 0.104 0.020 2 0 "[ . 1 . 2]"
2 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 ASN 0.076 0.011 3 0 "[ . 1 . 2]"
2 88 PHE 0.658 0.417 18 0 "[ . 1 . 2]"
2 89 PHE 0.341 0.041 4 0 "[ . 1 . 2]"
2 90 TRP 0.423 0.041 4 0 "[ . 1 . 2]"
2 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 92 ASN 0.027 0.027 9 0 "[ . 1 . 2]"
2 93 SER 0.027 0.027 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 2 SER HA 2 3 GLU HA 4.500 . 5.000 4.344 4.302 4.771 . 0 0 "[ . 1 . 2]" 1
2 2 2 SER HA 2 3 GLU HG3 4.500 . 5.000 3.890 3.749 4.607 . 0 0 "[ . 1 . 2]" 1
3 2 2 SER HA 2 3 GLU HG2 4.500 . 5.000 4.904 4.825 5.105 0.105 5 0 "[ . 1 . 2]" 1
4 2 2 SER HA 2 4 LEU H 4.500 . 5.000 4.147 3.480 4.360 . 0 0 "[ . 1 . 2]" 1
5 2 2 SER QB 2 4 LEU H 4.500 . 5.000 3.088 2.634 4.851 . 0 0 "[ . 1 . 2]" 1
6 2 2 SER HA 2 5 GLU H 4.500 . 5.000 4.709 3.636 4.963 . 0 0 "[ . 1 . 2]" 1
7 2 3 GLU HA 2 3 GLU HG2 3.800 . 4.300 2.463 2.421 2.501 . 0 0 "[ . 1 . 2]" 1
8 2 3 GLU HB3 2 4 LEU H 4.500 . 5.000 3.756 3.661 3.993 . 0 0 "[ . 1 . 2]" 1
9 2 3 GLU HB2 2 4 LEU H 4.500 . 5.000 2.692 2.553 2.768 . 0 0 "[ . 1 . 2]" 1
10 2 3 GLU HA 2 6 THR HB 3.800 . 4.300 2.933 2.744 3.054 . 0 0 "[ . 1 . 2]" 1
11 2 3 GLU QB 2 6 THR HB 4.500 . 5.000 3.993 3.836 4.205 . 0 0 "[ . 1 . 2]" 1
12 2 3 GLU HG2 2 6 THR HB 5.200 . 5.700 4.920 4.721 5.067 . 0 0 "[ . 1 . 2]" 1
13 2 3 GLU HA 2 7 ALA MB 5.200 . 5.700 4.848 4.678 5.026 . 0 0 "[ . 1 . 2]" 1
14 2 3 GLU QB 2 7 ALA MB 4.500 . 5.000 3.949 3.781 4.160 . 0 0 "[ . 1 . 2]" 1
15 2 3 GLU HA 2 7 ALA H 4.500 . 5.000 4.286 4.157 4.350 . 0 0 "[ . 1 . 2]" 1
16 2 3 GLU QB 2 7 ALA H 4.500 . 5.000 4.473 4.379 4.553 . 0 0 "[ . 1 . 2]" 1
17 2 4 LEU H 2 4 LEU HB3 3.800 . 4.300 2.588 2.532 2.686 . 0 0 "[ . 1 . 2]" 1
18 2 4 LEU HA 2 4 LEU QD 3.800 . 4.300 2.267 2.120 3.021 . 0 0 "[ . 1 . 2]" 1
19 2 4 LEU H 2 4 LEU QD 4.500 . 5.000 3.663 3.611 3.739 . 0 0 "[ . 1 . 2]" 1
20 2 4 LEU HA 2 4 LEU MD1 4.500 . 5.000 2.364 2.130 3.606 . 0 0 "[ . 1 . 2]" 1
21 2 4 LEU HA 2 4 LEU MD2 4.500 . 5.000 3.735 3.080 3.842 . 0 0 "[ . 1 . 2]" 1
22 2 4 LEU HB3 2 5 GLU QB 4.500 . 5.000 4.158 4.005 4.656 . 0 0 "[ . 1 . 2]" 1
23 2 4 LEU HB3 2 5 GLU H 4.500 . 5.000 2.635 2.524 2.706 . 0 0 "[ . 1 . 2]" 1
24 2 4 LEU H 2 5 GLU H 4.500 . 5.000 2.793 2.713 2.862 . 0 0 "[ . 1 . 2]" 1
25 2 4 LEU HA 2 7 ALA MB 3.800 . 4.300 2.242 2.137 2.500 . 0 0 "[ . 1 . 2]" 1
26 2 4 LEU QD 2 7 ALA MB 3.800 . 4.300 2.497 2.148 3.389 . 0 0 "[ . 1 . 2]" 1
27 2 4 LEU HG 2 7 ALA MB 5.200 . 5.700 3.549 2.852 3.997 . 0 0 "[ . 1 . 2]" 1
28 2 4 LEU HA 2 7 ALA H 4.500 . 5.000 3.087 2.973 3.261 . 0 0 "[ . 1 . 2]" 1
29 2 4 LEU QD 2 8 MET QG 4.500 . 5.000 2.949 2.159 3.708 . 0 0 "[ . 1 . 2]" 1
30 2 4 LEU HG 2 8 MET QG 4.500 . 5.000 2.973 2.608 4.574 . 0 0 "[ . 1 . 2]" 1
31 2 5 GLU H 2 5 GLU QG 4.500 . 5.000 3.874 2.233 4.056 . 0 0 "[ . 1 . 2]" 1
32 2 5 GLU HA 2 5 GLU HG3 3.800 . 4.300 2.533 2.475 3.030 . 0 0 "[ . 1 . 2]" 1
33 2 5 GLU HA 2 5 GLU HG2 3.800 . 4.300 2.944 2.434 3.703 . 0 0 "[ . 1 . 2]" 1
34 2 5 GLU QB 2 6 THR H 4.500 . 5.000 2.526 2.495 2.581 . 0 0 "[ . 1 . 2]" 1
35 2 5 GLU HA 2 8 MET ME 3.800 . 4.300 2.398 2.182 4.276 . 0 0 "[ . 1 . 2]" 1
36 2 5 GLU QG 2 8 MET ME 3.800 . 4.300 2.975 2.193 4.307 0.007 17 0 "[ . 1 . 2]" 1
37 2 6 THR H 2 6 THR HB 3.800 . 4.300 2.558 2.549 2.575 . 0 0 "[ . 1 . 2]" 1
38 2 6 THR HA 2 6 THR MG 2.800 . 3.300 2.291 2.231 2.385 . 0 0 "[ . 1 . 2]" 1
39 2 6 THR H 2 6 THR MG 3.800 . 4.300 3.742 3.739 3.746 . 0 0 "[ . 1 . 2]" 1
40 2 6 THR MG 2 7 ALA HA 4.500 . 5.000 3.635 3.588 3.736 . 0 0 "[ . 1 . 2]" 1
41 2 6 THR HB 2 7 ALA MB 4.500 . 5.000 3.922 3.868 3.978 . 0 0 "[ . 1 . 2]" 1
42 2 6 THR H 2 7 ALA MB 4.500 . 5.000 4.204 4.135 4.290 . 0 0 "[ . 1 . 2]" 1
43 2 6 THR HB 2 7 ALA H 4.500 . 5.000 2.632 2.546 2.655 . 0 0 "[ . 1 . 2]" 1
44 2 6 THR MG 2 7 ALA H 4.500 . 5.000 3.612 3.544 3.665 . 0 0 "[ . 1 . 2]" 1
45 2 6 THR H 2 7 ALA H 4.500 . 5.000 2.551 2.508 2.624 . 0 0 "[ . 1 . 2]" 1
46 2 6 THR MG 2 8 MET H 5.200 . 5.700 5.319 5.133 5.422 . 0 0 "[ . 1 . 2]" 1
47 2 6 THR HA 2 9 GLU QB 3.800 . 4.300 2.831 2.738 3.318 . 0 0 "[ . 1 . 2]" 1
48 2 6 THR MG 2 9 GLU QB 4.500 . 5.000 3.605 3.303 4.117 . 0 0 "[ . 1 . 2]" 1
49 2 6 THR HA 2 10 THR H 4.500 . 5.000 4.195 4.090 4.356 . 0 0 "[ . 1 . 2]" 1
50 2 6 THR MG 2 10 THR H 4.500 . 5.000 3.936 3.790 4.097 . 0 0 "[ . 1 . 2]" 1
51 2 7 ALA MB 2 8 MET QB 5.200 . 5.700 4.341 3.838 4.502 . 0 0 "[ . 1 . 2]" 1
52 2 7 ALA MB 2 8 MET QG 3.800 . 4.300 3.483 3.202 3.980 . 0 0 "[ . 1 . 2]" 1
53 2 7 ALA MB 2 8 MET HG3 4.500 . 5.000 3.760 3.364 5.032 0.032 17 0 "[ . 1 . 2]" 1
54 2 7 ALA MB 2 8 MET HG2 4.500 . 5.000 4.224 3.901 4.868 . 0 0 "[ . 1 . 2]" 1
55 2 7 ALA MB 2 8 MET H 3.800 . 4.300 2.472 2.322 2.583 . 0 0 "[ . 1 . 2]" 1
56 2 7 ALA HA 2 10 THR HB 3.800 . 4.300 2.461 2.324 2.612 . 0 0 "[ . 1 . 2]" 1
57 2 7 ALA MB 2 11 LEU QD 3.800 . 4.300 3.384 3.170 3.507 . 0 0 "[ . 1 . 2]" 1
58 2 8 MET H 2 8 MET HB3 3.800 . 4.300 3.547 2.715 3.678 . 0 0 "[ . 1 . 2]" 1
59 2 8 MET H 2 8 MET HB2 3.800 . 4.300 2.659 1.992 3.657 . 0 0 "[ . 1 . 2]" 1
60 2 8 MET QB 2 8 MET ME 3.800 . 4.300 2.055 1.926 3.389 . 0 0 "[ . 1 . 2]" 1
61 2 8 MET HB3 2 8 MET ME 4.500 . 5.000 2.691 2.012 3.753 . 0 0 "[ . 1 . 2]" 1
62 2 8 MET HB2 2 8 MET ME 4.500 . 5.000 2.195 1.993 3.861 . 0 0 "[ . 1 . 2]" 1
63 2 8 MET ME 2 8 MET HG3 3.800 . 4.300 2.494 2.334 3.297 . 0 0 "[ . 1 . 2]" 1
64 2 8 MET ME 2 8 MET HG2 3.800 . 4.300 3.256 2.202 3.393 . 0 0 "[ . 1 . 2]" 1
65 2 8 MET HA 2 8 MET QG 3.800 . 4.300 2.483 2.303 3.357 . 0 0 "[ . 1 . 2]" 1
66 2 8 MET H 2 8 MET HG3 3.800 . 4.300 2.321 1.783 3.848 0.017 14 0 "[ . 1 . 2]" 1
67 2 8 MET H 2 8 MET HG2 3.800 . 4.300 3.199 2.538 3.271 . 0 0 "[ . 1 . 2]" 1
68 2 8 MET ME 2 9 GLU QB 4.500 . 5.000 4.781 3.875 5.039 0.039 12 0 "[ . 1 . 2]" 1
69 2 8 MET ME 2 9 GLU QG 4.500 . 5.000 3.865 3.234 5.080 0.080 19 0 "[ . 1 . 2]" 1
70 2 8 MET QG 2 9 GLU H 4.500 . 5.000 3.744 1.835 4.316 . 0 0 "[ . 1 . 2]" 1
71 2 8 MET H 2 9 GLU H 4.500 . 5.000 2.669 2.597 2.916 . 0 0 "[ . 1 . 2]" 1
72 2 8 MET QB 2 11 LEU QD 4.500 . 5.000 4.092 3.525 4.499 . 0 0 "[ . 1 . 2]" 1
73 2 8 MET QG 2 11 LEU QD 4.500 . 5.000 3.738 3.462 4.888 . 0 0 "[ . 1 . 2]" 1
74 2 8 MET H 2 11 LEU QD 3.800 . 4.300 4.329 4.322 4.336 0.036 17 0 "[ . 1 . 2]" 1
75 2 8 MET HA 2 11 LEU HG 4.500 . 5.000 3.380 2.855 3.755 . 0 0 "[ . 1 . 2]" 1
76 2 9 GLU H 2 10 THR H 4.500 . 5.000 2.570 2.509 2.618 . 0 0 "[ . 1 . 2]" 1
77 2 9 GLU QG 2 12 ILE HB 4.500 . 5.000 4.351 3.590 5.018 0.018 18 0 "[ . 1 . 2]" 1
78 2 9 GLU QG 2 12 ILE MD 4.500 . 5.000 3.684 3.348 3.988 . 0 0 "[ . 1 . 2]" 1
79 2 9 GLU QG 2 13 ASN HD21 4.500 . 5.000 4.635 3.348 5.022 0.022 7 0 "[ . 1 . 2]" 1
80 2 9 GLU QG 2 13 ASN HD22 4.500 . 5.000 3.579 2.008 4.237 . 0 0 "[ . 1 . 2]" 1
81 2 10 THR H 2 10 THR HB 3.800 . 4.300 2.583 2.563 2.595 . 0 0 "[ . 1 . 2]" 1
82 2 10 THR H 2 10 THR MG 4.500 . 5.000 3.740 3.731 3.746 . 0 0 "[ . 1 . 2]" 1
83 2 10 THR HB 2 11 LEU QD 4.500 . 5.000 3.485 3.415 3.580 . 0 0 "[ . 1 . 2]" 1
84 2 10 THR H 2 11 LEU QD 4.500 . 5.000 4.593 4.549 4.686 . 0 0 "[ . 1 . 2]" 1
85 2 10 THR HB 2 11 LEU H 4.500 . 5.000 2.538 2.492 2.607 . 0 0 "[ . 1 . 2]" 1
86 2 10 THR MG 2 11 LEU H 4.500 . 5.000 3.517 3.481 3.546 . 0 0 "[ . 1 . 2]" 1
87 2 10 THR H 2 11 LEU H 4.500 . 5.000 2.740 2.713 2.891 . 0 0 "[ . 1 . 2]" 1
88 2 10 THR HA 2 13 ASN HB3 4.500 . 5.000 4.026 3.777 4.260 . 0 0 "[ . 1 . 2]" 1
89 2 10 THR MG 2 13 ASN HB3 4.500 . 5.000 4.730 4.271 5.003 0.003 11 0 "[ . 1 . 2]" 1
90 2 10 THR HA 2 13 ASN HB2 3.800 . 4.300 2.458 2.279 2.630 . 0 0 "[ . 1 . 2]" 1
91 2 10 THR MG 2 13 ASN HB2 4.500 . 5.000 3.504 3.079 3.796 . 0 0 "[ . 1 . 2]" 1
92 2 10 THR HA 2 14 VAL QG 4.500 . 5.000 3.625 3.270 3.780 . 0 0 "[ . 1 . 2]" 1
93 2 10 THR MG 2 14 VAL QG 3.800 . 4.300 2.453 2.274 2.604 . 0 0 "[ . 1 . 2]" 1
94 2 11 LEU H 2 11 LEU QD 3.800 . 4.300 2.912 2.843 2.951 . 0 0 "[ . 1 . 2]" 1
95 2 11 LEU H 2 11 LEU HG 3.800 . 4.300 1.944 1.890 2.021 . 0 0 "[ . 1 . 2]" 1
96 2 11 LEU H 2 12 ILE HB 5.200 . 5.700 4.901 4.794 4.978 . 0 0 "[ . 1 . 2]" 1
97 2 11 LEU H 2 12 ILE H 4.500 . 5.000 2.733 2.709 2.784 . 0 0 "[ . 1 . 2]" 1
98 2 12 ILE H 2 12 ILE HB 3.800 . 4.300 2.492 2.466 2.516 . 0 0 "[ . 1 . 2]" 1
99 2 12 ILE HA 2 12 ILE MD 4.500 . 5.000 3.799 3.786 3.809 . 0 0 "[ . 1 . 2]" 1
100 2 12 ILE H 2 12 ILE HG13 3.800 . 4.300 2.051 2.017 2.107 . 0 0 "[ . 1 . 2]" 1
101 2 12 ILE H 2 13 ASN HB2 4.500 . 5.000 4.767 4.694 4.825 . 0 0 "[ . 1 . 2]" 1
102 2 12 ILE HB 2 13 ASN H 4.500 . 5.000 2.615 2.461 2.747 . 0 0 "[ . 1 . 2]" 1
103 2 12 ILE HG13 2 13 ASN H 4.500 . 5.000 4.185 4.141 4.239 . 0 0 "[ . 1 . 2]" 1
104 2 12 ILE H 2 13 ASN H 4.500 . 5.000 2.623 2.568 2.710 . 0 0 "[ . 1 . 2]" 1
105 2 12 ILE HA 2 15 PHE QB 4.500 . 5.000 2.622 2.197 3.217 . 0 0 "[ . 1 . 2]" 1
106 2 12 ILE MG 2 15 PHE QB 4.500 . 5.000 3.657 3.083 4.410 . 0 0 "[ . 1 . 2]" 1
107 2 12 ILE HA 2 15 PHE HB3 4.500 . 5.000 3.343 2.240 4.983 . 0 0 "[ . 1 . 2]" 1
108 2 12 ILE HA 2 15 PHE HB2 4.500 . 5.000 3.183 2.828 3.812 . 0 0 "[ . 1 . 2]" 1
109 2 12 ILE HA 2 71 PHE HE1 4.500 . 5.000 4.369 3.339 5.007 0.007 3 0 "[ . 1 . 2]" 1
110 2 12 ILE MD 2 71 PHE HE2 3.800 . 4.300 4.258 3.978 4.316 0.016 19 0 "[ . 1 . 2]" 1
111 2 12 ILE MG 2 71 PHE HE2 4.500 . 5.000 4.661 4.284 5.000 . 17 0 "[ . 1 . 2]" 1
112 2 12 ILE HA 2 75 VAL QG 5.200 . 5.700 5.301 4.728 5.701 0.001 20 0 "[ . 1 . 2]" 1
113 2 13 ASN HB3 2 14 VAL HA 4.500 . 5.000 4.433 4.335 4.524 . 0 0 "[ . 1 . 2]" 1
114 2 13 ASN HB3 2 14 VAL QG 3.800 . 4.300 3.909 3.651 4.130 . 0 0 "[ . 1 . 2]" 1
115 2 13 ASN HB2 2 14 VAL QG 4.500 . 5.000 3.093 2.920 3.251 . 0 0 "[ . 1 . 2]" 1
116 2 13 ASN HB3 2 14 VAL H 4.500 . 5.000 3.690 3.638 3.732 . 0 0 "[ . 1 . 2]" 1
117 2 13 ASN HB2 2 14 VAL H 4.500 . 5.000 2.674 2.611 2.738 . 0 0 "[ . 1 . 2]" 1
118 2 13 ASN HD21 2 14 VAL H 5.200 . 5.700 4.735 4.301 5.123 . 0 0 "[ . 1 . 2]" 1
119 2 13 ASN HA 2 15 PHE H 4.500 . 5.000 4.640 4.402 5.006 0.006 9 0 "[ . 1 . 2]" 1
120 2 13 ASN HB3 2 17 ALA MB 4.500 . 5.000 4.398 3.777 5.006 0.006 1 0 "[ . 1 . 2]" 1
121 2 14 VAL H 2 14 VAL HB 3.800 . 4.300 3.044 2.401 3.649 . 0 0 "[ . 1 . 2]" 1
122 2 14 VAL HA 2 14 VAL QG 2.800 . 3.300 2.212 2.074 2.363 . 0 0 "[ . 1 . 2]" 1
123 2 14 VAL H 2 14 VAL QG 3.800 . 4.300 2.007 1.793 2.238 0.007 17 0 "[ . 1 . 2]" 1
124 2 14 VAL H 2 14 VAL MG1 3.800 . 4.300 2.990 2.137 3.764 . 0 0 "[ . 1 . 2]" 1
125 2 14 VAL H 2 14 VAL MG2 3.800 . 4.300 2.072 1.861 2.255 . 0 0 "[ . 1 . 2]" 1
126 2 14 VAL QG 2 15 PHE HA 4.500 . 5.000 3.286 3.054 3.620 . 0 0 "[ . 1 . 2]" 1
127 2 14 VAL HB 2 15 PHE H 4.500 . 5.000 3.090 2.388 3.840 . 0 0 "[ . 1 . 2]" 1
128 2 14 VAL QG 2 15 PHE H 3.800 . 4.300 2.526 1.806 3.214 . 0 0 "[ . 1 . 2]" 1
129 2 14 VAL H 2 15 PHE H 4.500 . 5.000 2.584 2.417 2.768 . 0 0 "[ . 1 . 2]" 1
130 2 14 VAL HA 2 17 ALA HA 5.200 . 5.700 5.621 5.460 5.725 0.025 5 0 "[ . 1 . 2]" 1
131 2 14 VAL HA 2 17 ALA MB 3.800 . 4.300 2.740 2.524 3.079 . 0 0 "[ . 1 . 2]" 1
132 2 14 VAL HB 2 17 ALA MB 4.500 . 5.000 4.860 4.489 5.034 0.034 11 0 "[ . 1 . 2]" 1
133 2 14 VAL QG 2 17 ALA MB 4.500 . 5.000 3.778 3.396 4.168 . 0 0 "[ . 1 . 2]" 1
134 2 14 VAL MG1 2 17 ALA MB 4.500 . 5.000 4.034 3.587 4.460 . 0 0 "[ . 1 . 2]" 1
135 2 14 VAL MG2 2 17 ALA MB 4.500 . 5.000 4.566 4.042 5.009 0.009 14 0 "[ . 1 . 2]" 1
136 2 14 VAL HA 2 17 ALA H 4.500 . 5.000 3.672 3.572 3.794 . 0 0 "[ . 1 . 2]" 1
137 2 14 VAL QG 2 17 ALA H 4.500 . 5.000 4.543 4.403 4.694 . 0 0 "[ . 1 . 2]" 1
138 2 14 VAL HA 2 18 HIS HB2 5.200 . 5.700 5.395 4.822 5.706 0.006 18 0 "[ . 1 . 2]" 1
139 2 14 VAL HA 2 36 LEU QD 4.500 . 5.000 4.656 4.242 5.018 0.018 19 0 "[ . 1 . 2]" 1
140 2 14 VAL HB 2 36 LEU QD 3.800 . 4.300 4.055 3.274 4.357 0.057 2 0 "[ . 1 . 2]" 1
141 2 14 VAL QG 2 36 LEU QD 3.800 . 4.300 3.000 2.259 3.808 . 0 0 "[ . 1 . 2]" 1
142 2 14 VAL QG 2 40 GLU QG 4.500 . 5.000 3.669 2.335 4.702 . 0 0 "[ . 1 . 2]" 1
143 2 15 PHE H 2 16 HIS H 4.500 . 5.000 2.741 2.617 2.901 . 0 0 "[ . 1 . 2]" 1
144 2 15 PHE HA 2 28 LEU QD 4.500 . 5.000 3.604 2.926 4.813 . 0 0 "[ . 1 . 2]" 1
145 2 15 PHE QD 2 28 LEU QD 3.800 . 4.300 2.423 1.913 3.328 . 0 0 "[ . 1 . 2]" 1
146 2 15 PHE QD 2 28 LEU MD1 4.500 . 5.000 2.705 1.945 4.874 . 0 0 "[ . 1 . 2]" 1
147 2 15 PHE QD 2 28 LEU MD2 4.500 . 5.000 3.331 2.203 4.915 . 0 0 "[ . 1 . 2]" 1
148 2 15 PHE HA 2 28 LEU HG 5.200 . 5.700 5.681 5.130 5.777 0.077 13 0 "[ . 1 . 2]" 1
149 2 15 PHE QD 2 28 LEU HG 4.500 . 5.000 4.097 3.591 4.926 . 0 0 "[ . 1 . 2]" 1
150 2 15 PHE HA 2 36 LEU QD 3.800 . 4.300 2.816 2.023 3.425 . 0 0 "[ . 1 . 2]" 1
151 2 15 PHE QD 2 36 LEU QD 4.500 . 5.000 2.961 1.967 3.903 . 0 0 "[ . 1 . 2]" 1
152 2 15 PHE H 2 36 LEU QD 4.500 . 5.000 4.525 4.031 4.908 . 0 0 "[ . 1 . 2]" 1
153 2 15 PHE HA 2 36 LEU MD1 4.500 . 5.000 3.000 2.227 3.563 . 0 0 "[ . 1 . 2]" 1
154 2 15 PHE HA 2 36 LEU MD2 4.500 . 5.000 3.619 2.310 4.865 . 0 0 "[ . 1 . 2]" 1
155 2 15 PHE QB 2 71 PHE HB2 5.200 . 5.700 5.040 4.159 5.710 0.010 3 0 "[ . 1 . 2]" 1
156 2 15 PHE QD 2 71 PHE HD1 5.200 . 5.700 3.234 2.251 4.543 . 0 0 "[ . 1 . 2]" 1
157 2 15 PHE QB 2 71 PHE HE1 4.500 . 5.000 2.426 2.044 3.468 . 0 0 "[ . 1 . 2]" 1
158 2 15 PHE QB 2 74 TYR HD2 5.200 . 5.700 4.918 4.133 5.632 . 0 0 "[ . 1 . 2]" 1
159 2 16 HIS HA 2 17 ALA HA 5.200 . 5.700 4.782 4.723 4.837 . 0 0 "[ . 1 . 2]" 1
160 2 16 HIS QB 2 17 ALA HA 5.200 . 5.700 4.036 3.860 4.141 . 0 0 "[ . 1 . 2]" 1
161 2 16 HIS QB 2 17 ALA MB 5.200 . 5.700 3.826 3.660 4.022 . 0 0 "[ . 1 . 2]" 1
162 2 16 HIS QB 2 17 ALA H 4.500 . 5.000 2.544 2.454 2.761 . 0 0 "[ . 1 . 2]" 1
163 2 16 HIS HB3 2 17 ALA H 4.500 . 5.000 2.669 2.484 3.724 . 0 0 "[ . 1 . 2]" 1
164 2 16 HIS HB2 2 17 ALA H 4.500 . 5.000 3.748 2.764 3.890 . 0 0 "[ . 1 . 2]" 1
165 2 16 HIS H 2 17 ALA H 3.800 . 4.300 2.729 2.655 2.841 . 0 0 "[ . 1 . 2]" 1
166 2 16 HIS HA 2 19 SER QB 4.500 . 5.000 3.457 2.266 4.500 . 0 0 "[ . 1 . 2]" 1
167 2 16 HIS HA 2 19 SER H 4.500 . 5.000 3.955 3.325 4.329 . 0 0 "[ . 1 . 2]" 1
168 2 16 HIS H 2 19 SER H 5.200 . 5.700 4.827 4.646 5.002 . 0 0 "[ . 1 . 2]" 1
169 2 17 ALA HA 2 18 HIS HA 4.500 . 5.000 4.658 4.563 4.791 . 0 0 "[ . 1 . 2]" 1
170 2 17 ALA MB 2 18 HIS HA 4.500 . 5.000 3.810 3.677 3.895 . 0 0 "[ . 1 . 2]" 1
171 2 17 ALA MB 2 18 HIS HB2 4.500 . 5.000 4.319 4.047 4.429 . 0 0 "[ . 1 . 2]" 1
172 2 17 ALA MB 2 18 HIS H 3.800 . 4.300 2.493 2.288 2.662 . 0 0 "[ . 1 . 2]" 1
173 2 17 ALA H 2 18 HIS H 3.800 . 4.300 2.829 2.751 2.912 . 0 0 "[ . 1 . 2]" 1
174 2 17 ALA MB 2 19 SER H 5.200 . 5.700 4.524 4.354 4.703 . 0 0 "[ . 1 . 2]" 1
175 2 17 ALA MB 2 20 GLY H 5.200 . 5.700 4.993 4.652 5.362 . 0 0 "[ . 1 . 2]" 1
176 2 17 ALA MB 2 36 LEU QD 4.500 . 5.000 4.529 4.080 4.992 . 0 0 "[ . 1 . 2]" 1
177 2 18 HIS H 2 18 HIS HB3 3.800 . 4.300 3.552 2.180 3.682 . 0 0 "[ . 1 . 2]" 1
178 2 18 HIS H 2 18 HIS HB2 3.800 . 4.300 2.479 2.405 2.823 . 0 0 "[ . 1 . 2]" 1
179 2 18 HIS H 2 18 HIS HD2 3.800 . 4.300 3.358 2.902 4.372 0.072 17 0 "[ . 1 . 2]" 1
180 2 18 HIS HB3 2 19 SER H 4.500 . 5.000 3.651 2.687 3.923 . 0 0 "[ . 1 . 2]" 1
181 2 18 HIS H 2 19 SER H 3.800 . 4.300 2.539 2.298 2.853 . 0 0 "[ . 1 . 2]" 1
182 2 18 HIS H 2 20 GLY H 4.500 . 5.000 4.061 3.784 4.259 . 0 0 "[ . 1 . 2]" 1
183 2 18 HIS HA 2 21 LYS HA 5.200 . 5.700 5.618 5.326 5.720 0.020 13 0 "[ . 1 . 2]" 1
184 2 18 HIS HA 2 21 LYS QB 4.500 . 5.000 3.819 3.324 4.189 . 0 0 "[ . 1 . 2]" 1
185 2 18 HIS HA 2 21 LYS QD 4.500 . 5.000 3.405 2.554 4.870 . 0 0 "[ . 1 . 2]" 1
186 2 18 HIS HA 2 21 LYS QE 3.800 . 4.300 2.679 2.241 4.304 0.004 7 0 "[ . 1 . 2]" 1
187 2 18 HIS HB3 2 21 LYS QE 4.500 . 5.000 3.460 2.218 5.014 0.014 14 0 "[ . 1 . 2]" 1
188 2 18 HIS HA 2 21 LYS QG 3.800 . 4.300 2.819 2.319 4.207 . 0 0 "[ . 1 . 2]" 1
189 2 18 HIS HB3 2 28 LEU QD 5.200 . 5.700 4.787 4.227 5.712 0.012 4 0 "[ . 1 . 2]" 1
190 2 18 HIS HB2 2 28 LEU QD 5.200 . 5.700 4.351 3.737 5.612 . 0 0 "[ . 1 . 2]" 1
191 2 18 HIS HA 2 36 LEU QD 4.500 . 5.000 4.015 3.708 4.321 . 0 0 "[ . 1 . 2]" 1
192 2 18 HIS H 2 36 LEU QD 4.500 . 5.000 3.638 3.199 3.969 . 0 0 "[ . 1 . 2]" 1
193 2 18 HIS HB3 2 36 LEU MD1 4.500 . 5.000 3.314 2.314 3.886 . 0 0 "[ . 1 . 2]" 1
194 2 18 HIS HB2 2 36 LEU MD1 3.800 . 4.300 2.766 2.117 3.977 . 0 0 "[ . 1 . 2]" 1
195 2 18 HIS H 2 36 LEU MD1 4.500 . 5.000 4.473 3.682 4.976 . 0 0 "[ . 1 . 2]" 1
196 2 18 HIS HB3 2 36 LEU MD2 4.500 . 5.000 2.424 2.110 3.191 . 0 0 "[ . 1 . 2]" 1
197 2 18 HIS HB2 2 36 LEU MD2 3.800 . 4.300 2.180 1.992 2.964 . 0 0 "[ . 1 . 2]" 1
198 2 18 HIS H 2 36 LEU MD2 4.500 . 5.000 3.918 3.327 4.973 . 0 0 "[ . 1 . 2]" 1
199 2 18 HIS HB2 2 36 LEU HG 4.500 . 5.000 3.788 3.233 4.911 . 0 0 "[ . 1 . 2]" 1
200 2 19 SER H 2 20 GLY H 4.500 . 5.000 2.674 2.586 2.743 . 0 0 "[ . 1 . 2]" 1
201 2 19 SER H 2 21 LYS QG 5.200 . 5.700 4.972 4.806 5.185 . 0 0 "[ . 1 . 2]" 1
202 2 19 SER HA 2 28 LEU HA 4.500 . 5.000 4.199 3.714 4.596 . 0 0 "[ . 1 . 2]" 1
203 2 19 SER HA 2 28 LEU QD 3.800 . 4.300 3.111 2.296 4.310 0.010 6 0 "[ . 1 . 2]" 1
204 2 19 SER QB 2 28 LEU QD 3.800 . 4.300 2.561 1.909 4.172 . 0 0 "[ . 1 . 2]" 1
205 2 19 SER H 2 28 LEU QD 4.500 . 5.000 3.916 3.417 5.037 0.037 16 0 "[ . 1 . 2]" 1
206 2 19 SER HB3 2 28 LEU MD1 5.200 . 5.700 4.646 2.296 5.700 . 0 0 "[ . 1 . 2]" 1
207 2 19 SER HB2 2 28 LEU MD1 5.200 . 5.700 5.021 3.068 5.717 0.017 10 0 "[ . 1 . 2]" 1
208 2 19 SER HB3 2 28 LEU MD2 5.200 . 5.700 3.146 2.074 5.018 . 0 0 "[ . 1 . 2]" 1
209 2 19 SER HB2 2 28 LEU MD2 5.200 . 5.700 3.443 2.063 5.726 0.026 13 0 "[ . 1 . 2]" 1
210 2 19 SER HA 2 32 GLU HA 5.200 . 5.700 5.463 4.819 5.722 0.022 14 0 "[ . 1 . 2]" 1
211 2 19 SER QB 2 32 GLU HB3 4.500 . 5.000 4.585 3.881 5.019 0.019 7 0 "[ . 1 . 2]" 1
212 2 19 SER QB 2 36 LEU QD 4.500 . 5.000 3.952 3.219 4.543 . 0 0 "[ . 1 . 2]" 1
213 2 19 SER H 2 36 LEU QD 4.500 . 5.000 3.587 3.191 3.874 . 0 0 "[ . 1 . 2]" 1
214 2 20 GLY H 2 21 LYS QG 5.200 . 5.700 4.172 4.023 4.474 . 0 0 "[ . 1 . 2]" 1
215 2 20 GLY H 2 21 LYS H 3.800 . 4.300 2.777 2.663 2.897 . 0 0 "[ . 1 . 2]" 1
216 2 20 GLY QA 2 22 GLU H 4.500 . 5.000 3.992 3.872 4.214 . 0 0 "[ . 1 . 2]" 1
217 2 20 GLY H 2 22 GLU H 4.500 . 5.000 4.642 4.425 5.005 0.005 12 0 "[ . 1 . 2]" 1
218 2 20 GLY QA 2 25 LYS HA 3.800 . 4.300 2.514 2.172 3.059 . 0 0 "[ . 1 . 2]" 1
219 2 20 GLY HA3 2 25 LYS HA 3.800 . 4.300 3.880 3.549 4.263 . 0 0 "[ . 1 . 2]" 1
220 2 20 GLY HA2 2 25 LYS HA 3.800 . 4.300 2.550 2.192 3.135 . 0 0 "[ . 1 . 2]" 1
221 2 20 GLY H 2 25 LYS HA 4.500 . 5.000 3.732 3.354 4.811 . 0 0 "[ . 1 . 2]" 1
222 2 20 GLY HA3 2 25 LYS HB3 4.500 . 5.000 4.524 4.156 4.890 . 0 0 "[ . 1 . 2]" 1
223 2 20 GLY HA2 2 25 LYS HB3 4.500 . 5.000 3.898 3.063 4.401 . 0 0 "[ . 1 . 2]" 1
224 2 20 GLY QA 2 25 LYS HB2 4.500 . 5.000 4.494 4.231 4.617 . 0 0 "[ . 1 . 2]" 1
225 2 20 GLY HA3 2 25 LYS HB2 5.200 . 5.700 5.705 5.659 5.719 0.019 7 0 "[ . 1 . 2]" 1
226 2 20 GLY HA2 2 25 LYS HB2 5.200 . 5.700 4.707 4.363 4.877 . 0 0 "[ . 1 . 2]" 1
227 2 20 GLY QA 2 25 LYS QD 3.800 . 4.300 3.749 3.386 4.089 . 0 0 "[ . 1 . 2]" 1
228 2 20 GLY QA 2 25 LYS QG 3.800 . 4.300 2.149 2.061 2.216 . 0 0 "[ . 1 . 2]" 1
229 2 20 GLY HA3 2 25 LYS QG 5.200 . 5.700 2.967 2.670 3.462 . 0 0 "[ . 1 . 2]" 1
230 2 20 GLY HA2 2 25 LYS QG 5.200 . 5.700 2.209 2.144 2.272 . 0 0 "[ . 1 . 2]" 1
231 2 21 LYS HA 2 21 LYS QD 4.500 . 5.000 3.942 3.853 4.393 . 0 0 "[ . 1 . 2]" 1
232 2 21 LYS QB 2 21 LYS QE 2.800 . 3.300 2.607 2.093 3.469 0.169 14 0 "[ . 1 . 2]" 1
233 2 21 LYS QE 2 21 LYS QG 2.800 . 3.300 2.242 2.056 2.858 . 0 0 "[ . 1 . 2]" 1
234 2 21 LYS H 2 21 LYS QE 4.500 . 5.000 3.796 3.150 4.703 . 0 0 "[ . 1 . 2]" 1
235 2 21 LYS H 2 21 LYS QG 3.800 . 4.300 2.124 2.066 2.284 . 0 0 "[ . 1 . 2]" 1
236 2 21 LYS HA 2 22 GLU HG2 5.200 . 5.700 4.672 4.161 5.253 . 0 0 "[ . 1 . 2]" 1
237 2 21 LYS HA 2 22 GLU H 3.800 . 4.300 3.571 3.544 3.618 . 0 0 "[ . 1 . 2]" 1
238 2 21 LYS QB 2 22 GLU H 4.500 . 5.000 2.762 2.559 3.432 . 0 0 "[ . 1 . 2]" 1
239 2 21 LYS QG 2 22 GLU H 4.500 . 5.000 3.780 1.981 4.205 . 0 0 "[ . 1 . 2]" 1
240 2 21 LYS H 2 22 GLU H 3.800 . 4.300 2.865 2.757 3.030 . 0 0 "[ . 1 . 2]" 1
241 2 22 GLU HA 2 22 GLU HG2 3.800 . 4.300 2.682 2.406 3.009 . 0 0 "[ . 1 . 2]" 1
242 2 22 GLU H 2 22 GLU HG2 3.800 . 4.300 3.599 2.893 4.181 . 0 0 "[ . 1 . 2]" 1
243 2 22 GLU HA 2 23 GLY QA 4.500 . 5.000 3.971 3.934 4.070 . 0 0 "[ . 1 . 2]" 1
244 2 22 GLU H 2 23 GLY QA 4.500 . 5.000 4.896 4.657 5.025 0.025 6 0 "[ . 1 . 2]" 1
245 2 22 GLU HA 2 23 GLY HA3 4.500 . 5.000 4.486 4.455 4.563 . 0 0 "[ . 1 . 2]" 1
246 2 22 GLU HA 2 23 GLY HA2 4.500 . 5.000 4.431 4.377 4.584 . 0 0 "[ . 1 . 2]" 1
247 2 25 LYS HA 2 25 LYS QD 4.500 . 5.000 3.968 3.914 4.218 . 0 0 "[ . 1 . 2]" 1
248 2 25 LYS HB3 2 25 LYS QE 4.500 . 5.000 3.967 2.252 4.191 . 0 0 "[ . 1 . 2]" 1
249 2 25 LYS HB2 2 25 LYS QE 4.500 . 5.000 3.909 2.933 4.202 . 0 0 "[ . 1 . 2]" 1
250 2 25 LYS HB3 2 25 LYS HE3 5.200 . 5.700 4.548 2.271 4.807 . 0 0 "[ . 1 . 2]" 1
251 2 25 LYS HB2 2 25 LYS HE3 5.200 . 5.700 4.378 2.989 4.834 . 0 0 "[ . 1 . 2]" 1
252 2 25 LYS HB3 2 25 LYS HE2 5.200 . 5.700 4.437 3.749 4.753 . 0 0 "[ . 1 . 2]" 1
253 2 25 LYS HB2 2 25 LYS HE2 5.200 . 5.700 4.491 4.211 4.835 . 0 0 "[ . 1 . 2]" 1
254 2 25 LYS HA 2 25 LYS QG 3.800 . 4.300 2.399 2.332 2.434 . 0 0 "[ . 1 . 2]" 1
255 2 25 LYS HB2 2 26 TYR HA 4.500 . 5.000 4.217 4.065 5.063 0.063 10 0 "[ . 1 . 2]" 1
256 2 25 LYS HA 2 26 TYR QD 4.500 . 5.000 4.392 4.126 4.661 . 0 0 "[ . 1 . 2]" 1
257 2 25 LYS HD3 2 26 TYR QD 5.200 . 5.700 4.982 4.197 5.498 . 0 0 "[ . 1 . 2]" 1
258 2 25 LYS HD2 2 26 TYR QD 5.200 . 5.700 4.355 4.125 5.621 . 0 0 "[ . 1 . 2]" 1
259 2 25 LYS QD 2 26 TYR QE 4.500 . 5.000 2.806 2.642 2.982 . 0 0 "[ . 1 . 2]" 1
260 2 25 LYS QE 2 26 TYR QE 4.500 . 5.000 4.512 2.821 4.893 . 0 0 "[ . 1 . 2]" 1
261 2 25 LYS QG 2 26 TYR QE 4.500 . 5.000 4.051 3.643 4.336 . 0 0 "[ . 1 . 2]" 1
262 2 25 LYS HB3 2 26 TYR H 4.500 . 5.000 3.534 2.339 3.770 . 0 0 "[ . 1 . 2]" 1
263 2 25 LYS HB2 2 26 TYR H 4.500 . 5.000 2.556 2.388 3.459 . 0 0 "[ . 1 . 2]" 1
264 2 26 TYR HA 2 27 LYS HA 4.500 . 5.000 4.540 4.442 4.579 . 0 0 "[ . 1 . 2]" 1
265 2 26 TYR QB 2 27 LYS H 4.500 . 5.000 3.146 2.858 3.629 . 0 0 "[ . 1 . 2]" 1
266 2 26 TYR HB3 2 27 LYS H 4.500 . 5.000 4.160 3.941 4.556 . 0 0 "[ . 1 . 2]" 1
267 2 26 TYR HB2 2 27 LYS H 4.500 . 5.000 3.262 2.934 3.846 . 0 0 "[ . 1 . 2]" 1
268 2 26 TYR H 2 27 LYS H 3.800 . 4.300 2.637 2.509 2.756 . 0 0 "[ . 1 . 2]" 1
269 2 27 LYS QB 2 27 LYS HE2 4.500 . 5.000 3.695 2.112 4.187 . 0 0 "[ . 1 . 2]" 1
270 2 27 LYS HA 2 27 LYS QG 3.800 . 4.300 2.709 2.325 2.884 . 0 0 "[ . 1 . 2]" 1
271 2 27 LYS H 2 27 LYS QG 4.500 . 5.000 3.448 2.691 4.202 . 0 0 "[ . 1 . 2]" 1
272 2 27 LYS HE2 2 68 GLU HA 5.200 . 5.700 5.418 4.667 5.747 0.047 15 0 "[ . 1 . 2]" 1
273 2 27 LYS QD 2 68 GLU HB3 4.500 . 5.000 4.810 4.057 5.022 0.022 17 0 "[ . 1 . 2]" 1
274 2 27 LYS HE2 2 68 GLU HB3 4.500 . 5.000 3.370 2.797 3.939 . 0 0 "[ . 1 . 2]" 1
275 2 27 LYS HA 2 68 GLU HG2 5.200 . 5.700 5.300 4.450 5.711 0.011 12 0 "[ . 1 . 2]" 1
276 2 27 LYS QB 2 68 GLU HG2 4.500 . 5.000 3.901 2.450 5.027 0.027 1 0 "[ . 1 . 2]" 1
277 2 27 LYS QD 2 68 GLU HG2 4.500 . 5.000 3.567 2.720 4.154 . 0 0 "[ . 1 . 2]" 1
278 2 27 LYS HE2 2 68 GLU HG2 3.800 . 4.300 2.810 2.240 3.488 . 0 0 "[ . 1 . 2]" 1
279 2 27 LYS QB 2 70 ASP HA 5.200 . 5.700 4.387 2.808 5.341 . 0 0 "[ . 1 . 2]" 1
280 2 27 LYS QD 2 70 ASP HA 4.500 . 5.000 2.403 2.011 4.067 . 0 0 "[ . 1 . 2]" 1
281 2 27 LYS HE3 2 70 ASP HA 3.800 . 4.300 3.024 2.258 4.328 0.028 3 0 "[ . 1 . 2]" 1
282 2 27 LYS QD 2 70 ASP QB 4.500 . 5.000 3.465 2.383 4.167 . 0 0 "[ . 1 . 2]" 1
283 2 27 LYS HE3 2 70 ASP QB 4.500 . 5.000 3.184 2.251 5.013 0.013 3 0 "[ . 1 . 2]" 1
284 2 27 LYS QD 2 71 PHE H 4.500 . 5.000 3.391 2.635 5.012 0.012 12 0 "[ . 1 . 2]" 1
285 2 28 LEU HA 2 28 LEU QD 3.800 . 4.300 2.158 1.941 2.702 . 0 0 "[ . 1 . 2]" 1
286 2 28 LEU HA 2 28 LEU MD1 4.500 . 5.000 3.653 2.189 3.863 . 0 0 "[ . 1 . 2]" 1
287 2 28 LEU H 2 28 LEU MD1 4.500 . 5.000 4.003 3.598 4.342 . 0 0 "[ . 1 . 2]" 1
288 2 28 LEU HA 2 28 LEU MD2 4.500 . 5.000 2.259 1.983 3.829 . 0 0 "[ . 1 . 2]" 1
289 2 28 LEU H 2 28 LEU MD2 4.500 . 5.000 3.809 3.467 4.376 . 0 0 "[ . 1 . 2]" 1
290 2 28 LEU QD 2 29 SER H 4.500 . 5.000 2.987 1.783 3.418 0.017 16 0 "[ . 1 . 2]" 1
291 2 28 LEU QD 2 32 GLU HA 4.500 . 5.000 4.481 3.890 5.007 0.007 13 0 "[ . 1 . 2]" 1
292 2 28 LEU HA 2 32 GLU HB3 4.500 . 5.000 4.017 3.543 4.652 . 0 0 "[ . 1 . 2]" 1
293 2 28 LEU QD 2 32 GLU HB3 3.800 . 4.300 2.658 2.233 3.139 . 0 0 "[ . 1 . 2]" 1
294 2 28 LEU HA 2 32 GLU HB2 4.500 . 5.000 3.253 2.779 3.968 . 0 0 "[ . 1 . 2]" 1
295 2 28 LEU QD 2 32 GLU HB2 3.800 . 4.300 2.681 2.000 3.286 . 0 0 "[ . 1 . 2]" 1
296 2 28 LEU MD1 2 33 LEU HA 3.800 . 4.300 3.139 2.442 4.065 . 0 0 "[ . 1 . 2]" 1
297 2 28 LEU MD2 2 33 LEU HA 3.800 . 4.300 3.443 2.333 3.921 . 0 0 "[ . 1 . 2]" 1
298 2 28 LEU HG 2 33 LEU HA 5.200 . 5.700 5.386 4.095 5.730 0.030 17 0 "[ . 1 . 2]" 1
299 2 28 LEU QD 2 33 LEU HB3 4.500 . 5.000 4.220 3.248 4.685 . 0 0 "[ . 1 . 2]" 1
300 2 28 LEU QD 2 33 LEU HB2 3.800 . 4.300 3.008 1.970 3.541 . 0 0 "[ . 1 . 2]" 1
301 2 28 LEU MD1 2 33 LEU HB2 4.500 . 5.000 3.471 1.979 4.412 . 0 0 "[ . 1 . 2]" 1
302 2 28 LEU MD2 2 33 LEU HB2 4.500 . 5.000 3.716 1.980 4.432 . 0 0 "[ . 1 . 2]" 1
303 2 28 LEU HA 2 33 LEU QD 5.200 . 5.700 5.272 4.822 5.736 0.036 13 0 "[ . 1 . 2]" 1
304 2 28 LEU QB 2 33 LEU QD 5.200 . 5.700 3.125 2.534 4.037 . 0 0 "[ . 1 . 2]" 1
305 2 28 LEU QD 2 33 LEU QD 3.800 . 4.300 2.608 1.903 3.112 . 0 0 "[ . 1 . 2]" 1
306 2 28 LEU QD 2 33 LEU HG 4.500 . 5.000 3.468 3.108 4.443 . 0 0 "[ . 1 . 2]" 1
307 2 28 LEU MD1 2 33 LEU HG 4.500 . 5.000 3.785 3.138 5.015 0.015 4 0 "[ . 1 . 2]" 1
308 2 28 LEU MD2 2 33 LEU HG 4.500 . 5.000 4.789 3.279 5.026 0.026 5 0 "[ . 1 . 2]" 1
309 2 28 LEU QD 2 33 LEU H 4.500 . 5.000 3.487 2.437 3.936 . 0 0 "[ . 1 . 2]" 1
310 2 28 LEU MD1 2 33 LEU H 4.500 . 5.000 4.454 2.563 5.016 0.016 5 0 "[ . 1 . 2]" 1
311 2 28 LEU MD2 2 33 LEU H 4.500 . 5.000 3.785 2.446 4.309 . 0 0 "[ . 1 . 2]" 1
312 2 28 LEU QD 2 36 LEU HB2 4.500 . 5.000 3.777 3.369 4.175 . 0 0 "[ . 1 . 2]" 1
313 2 28 LEU MD1 2 36 LEU HB2 4.500 . 5.000 4.125 3.610 4.730 . 0 0 "[ . 1 . 2]" 1
314 2 28 LEU MD2 2 36 LEU HB2 4.500 . 5.000 4.492 3.899 4.803 . 0 0 "[ . 1 . 2]" 1
315 2 28 LEU QD 2 36 LEU QD 3.800 . 4.300 2.170 1.878 3.014 . 0 0 "[ . 1 . 2]" 1
316 2 28 LEU QD 2 36 LEU HG 3.800 . 4.300 3.802 2.665 4.261 . 0 0 "[ . 1 . 2]" 1
317 2 28 LEU QB 2 69 VAL HB 4.500 . 5.000 3.051 2.646 3.419 . 0 0 "[ . 1 . 2]" 1
318 2 28 LEU QD 2 69 VAL HB 4.500 . 5.000 3.999 2.434 4.674 . 0 0 "[ . 1 . 2]" 1
319 2 28 LEU MD1 2 69 VAL HB 5.200 . 5.700 4.458 2.842 5.559 . 0 0 "[ . 1 . 2]" 1
320 2 28 LEU MD2 2 69 VAL HB 5.200 . 5.700 5.020 2.451 5.723 0.023 15 0 "[ . 1 . 2]" 1
321 2 28 LEU H 2 69 VAL HB 4.500 . 5.000 4.271 3.432 5.005 0.005 13 0 "[ . 1 . 2]" 1
322 2 28 LEU QD 2 69 VAL MG1 3.800 . 4.300 3.404 2.522 3.913 . 0 0 "[ . 1 . 2]" 1
323 2 28 LEU MD1 2 69 VAL MG1 5.200 . 5.700 3.630 2.561 4.931 . 0 0 "[ . 1 . 2]" 1
324 2 28 LEU MD2 2 69 VAL MG1 5.200 . 5.700 4.813 2.677 5.634 . 0 0 "[ . 1 . 2]" 1
325 2 28 LEU QD 2 69 VAL MG2 5.200 . 5.700 4.623 3.335 5.219 . 0 0 "[ . 1 . 2]" 1
326 2 28 LEU H 2 69 VAL H 4.500 . 5.000 4.791 4.206 5.028 0.028 13 0 "[ . 1 . 2]" 1
327 2 28 LEU QB 2 71 PHE HA 4.500 . 5.000 4.026 2.885 4.778 . 0 0 "[ . 1 . 2]" 1
328 2 28 LEU QD 2 71 PHE HA 4.500 . 5.000 3.206 2.365 4.231 . 0 0 "[ . 1 . 2]" 1
329 2 28 LEU HG 2 71 PHE HA 4.500 . 5.000 4.168 3.373 5.029 0.029 13 0 "[ . 1 . 2]" 1
330 2 28 LEU QB 2 71 PHE HD1 4.500 . 5.000 4.496 3.429 5.020 0.020 3 0 "[ . 1 . 2]" 1
331 2 28 LEU HG 2 71 PHE HD1 4.500 . 5.000 3.688 2.810 5.010 0.010 13 0 "[ . 1 . 2]" 1
332 2 28 LEU QD 2 74 TYR HA 4.500 . 5.000 4.779 3.932 5.027 0.027 10 0 "[ . 1 . 2]" 1
333 2 28 LEU QD 2 74 TYR QB 4.500 . 5.000 2.742 2.042 3.378 . 0 0 "[ . 1 . 2]" 1
334 2 28 LEU QD 2 74 TYR HD1 4.500 . 5.000 3.624 2.749 4.340 . 0 0 "[ . 1 . 2]" 1
335 2 28 LEU QB 2 74 TYR HD2 5.200 . 5.700 5.616 4.321 5.734 0.034 5 0 "[ . 1 . 2]" 1
336 2 28 LEU QD 2 74 TYR H 5.200 . 5.700 4.720 3.807 5.225 . 0 0 "[ . 1 . 2]" 1
337 2 29 SER QB 2 30 LYS H 3.800 . 4.300 2.943 2.454 3.477 . 0 0 "[ . 1 . 2]" 1
338 2 29 SER HB3 2 30 LYS H 4.500 . 5.000 3.374 2.499 3.982 . 0 0 "[ . 1 . 2]" 1
339 2 29 SER HB2 2 30 LYS H 4.500 . 5.000 3.595 2.578 4.064 . 0 0 "[ . 1 . 2]" 1
340 2 29 SER HA 2 31 LYS H 4.500 . 5.000 4.345 4.226 4.491 . 0 0 "[ . 1 . 2]" 1
341 2 29 SER QB 2 31 LYS H 4.500 . 5.000 3.031 2.705 3.412 . 0 0 "[ . 1 . 2]" 1
342 2 29 SER H 2 32 GLU HB3 4.500 . 5.000 3.561 3.309 3.812 . 0 0 "[ . 1 . 2]" 1
343 2 29 SER HB3 2 32 GLU HB2 4.500 . 5.000 3.967 2.864 4.887 . 0 0 "[ . 1 . 2]" 1
344 2 29 SER HB2 2 32 GLU HB2 4.500 . 5.000 4.029 2.744 4.967 . 0 0 "[ . 1 . 2]" 1
345 2 29 SER H 2 32 GLU HB2 4.500 . 5.000 2.057 1.794 2.381 0.006 15 0 "[ . 1 . 2]" 1
346 2 29 SER H 2 32 GLU H 4.500 . 5.000 3.437 3.149 3.941 . 0 0 "[ . 1 . 2]" 1
347 2 29 SER HA 2 68 GLU HG3 4.500 . 5.000 3.479 2.243 4.441 . 0 0 "[ . 1 . 2]" 1
348 2 29 SER QB 2 68 GLU HG3 4.500 . 5.000 4.595 3.096 5.030 0.030 15 0 "[ . 1 . 2]" 1
349 2 30 LYS HA 2 30 LYS QE 5.200 . 5.700 4.393 3.836 4.732 . 0 0 "[ . 1 . 2]" 1
350 2 30 LYS H 2 31 LYS H 4.500 . 5.000 2.826 2.750 2.899 . 0 0 "[ . 1 . 2]" 1
351 2 30 LYS HA 2 33 LEU QD 3.800 . 4.300 3.200 2.935 3.382 . 0 0 "[ . 1 . 2]" 1
352 2 30 LYS QB 2 33 LEU QD 4.500 . 5.000 4.473 4.118 4.665 . 0 0 "[ . 1 . 2]" 1
353 2 30 LYS QG 2 33 LEU QD 4.500 . 5.000 3.651 3.124 4.154 . 0 0 "[ . 1 . 2]" 1
354 2 30 LYS H 2 33 LEU QD 4.500 . 5.000 5.010 4.972 5.025 0.025 9 0 "[ . 1 . 2]" 1
355 2 30 LYS QE 2 54 VAL QG 3.800 . 4.300 2.793 1.963 4.172 . 0 0 "[ . 1 . 2]" 1
356 2 30 LYS QG 2 54 VAL QG 3.800 . 4.300 3.189 2.271 4.313 0.013 1 0 "[ . 1 . 2]" 1
357 2 30 LYS QE 2 55 ASP HA 3.800 . 4.300 2.794 2.252 3.971 . 0 0 "[ . 1 . 2]" 1
358 2 30 LYS QG 2 58 MET ME 2.800 . 3.300 2.595 2.030 3.305 0.005 9 0 "[ . 1 . 2]" 1
359 2 30 LYS QE 2 58 MET HG3 4.500 . 5.000 3.820 3.425 5.046 0.046 12 0 "[ . 1 . 2]" 1
360 2 30 LYS QG 2 58 MET HG3 4.500 . 5.000 4.541 4.041 5.011 0.011 6 0 "[ . 1 . 2]" 1
361 2 30 LYS QB 2 58 MET HG2 4.500 . 5.000 4.180 3.755 4.799 . 0 0 "[ . 1 . 2]" 1
362 2 30 LYS QE 2 58 MET HG2 4.500 . 5.000 2.476 2.131 3.712 . 0 0 "[ . 1 . 2]" 1
363 2 30 LYS QG 2 58 MET HG2 4.500 . 5.000 3.086 2.442 3.618 . 0 0 "[ . 1 . 2]" 1
364 2 31 LYS H 2 31 LYS HB3 3.800 . 4.300 2.563 2.545 2.604 . 0 0 "[ . 1 . 2]" 1
365 2 31 LYS H 2 31 LYS HB2 3.800 . 4.300 2.538 2.524 2.564 . 0 0 "[ . 1 . 2]" 1
366 2 31 LYS HB3 2 31 LYS HD3 2.800 . 3.300 2.368 2.334 2.387 . 0 0 "[ . 1 . 2]" 1
367 2 31 LYS HB2 2 31 LYS HE3 5.200 . 5.700 4.493 4.340 4.641 . 0 0 "[ . 1 . 2]" 1
368 2 31 LYS HE3 2 31 LYS HG2 3.800 . 4.300 2.599 2.291 2.941 . 0 0 "[ . 1 . 2]" 1
369 2 31 LYS HB2 2 31 LYS HE2 5.200 . 5.700 4.816 4.690 4.935 . 0 0 "[ . 1 . 2]" 1
370 2 31 LYS HE2 2 31 LYS HG2 3.800 . 4.300 3.005 2.404 3.599 . 0 0 "[ . 1 . 2]" 1
371 2 31 LYS HA 2 31 LYS HG2 3.800 . 4.300 2.893 2.860 2.906 . 0 0 "[ . 1 . 2]" 1
372 2 31 LYS H 2 31 LYS HG2 4.500 . 5.000 4.450 4.442 4.462 . 0 0 "[ . 1 . 2]" 1
373 2 31 LYS HD3 2 32 GLU HA 3.800 . 4.300 4.339 4.337 4.341 0.041 20 0 "[ . 1 . 2]" 1
374 2 31 LYS QE 2 32 GLU HA 3.800 . 4.300 4.342 4.339 4.347 0.047 1 0 "[ . 1 . 2]" 1
375 2 31 LYS HD3 2 32 GLU QG 4.500 . 5.000 3.404 3.277 3.534 . 0 0 "[ . 1 . 2]" 1
376 2 31 LYS QE 2 32 GLU QG 4.500 . 5.000 4.273 4.118 4.396 . 0 0 "[ . 1 . 2]" 1
377 2 31 LYS HA 2 32 GLU H 3.800 . 4.300 3.565 3.530 3.588 . 0 0 "[ . 1 . 2]" 1
378 2 31 LYS HB3 2 32 GLU H 3.800 . 4.300 2.204 2.153 2.257 . 0 0 "[ . 1 . 2]" 1
379 2 31 LYS HD3 2 32 GLU H 4.500 . 5.000 4.001 3.946 4.082 . 0 0 "[ . 1 . 2]" 1
380 2 31 LYS HG2 2 32 GLU H 4.500 . 5.000 3.482 3.427 3.537 . 0 0 "[ . 1 . 2]" 1
381 2 31 LYS H 2 32 GLU H 4.500 . 5.000 2.754 2.684 2.801 . 0 0 "[ . 1 . 2]" 1
382 2 31 LYS HD3 2 35 GLU HG3 4.500 . 5.000 4.768 4.451 4.973 . 0 0 "[ . 1 . 2]" 1
383 2 31 LYS QE 2 35 GLU HG3 3.800 . 4.300 2.880 2.620 3.030 . 0 0 "[ . 1 . 2]" 1
384 2 31 LYS HE3 2 35 GLU HG3 4.500 . 5.000 3.358 2.641 3.972 . 0 0 "[ . 1 . 2]" 1
385 2 31 LYS HE2 2 35 GLU HG3 4.500 . 5.000 3.815 2.756 4.802 . 0 0 "[ . 1 . 2]" 1
386 2 31 LYS HG3 2 35 GLU HG3 4.500 . 5.000 3.956 3.503 4.256 . 0 0 "[ . 1 . 2]" 1
387 2 31 LYS HG2 2 35 GLU HG3 4.500 . 5.000 2.954 2.689 3.258 . 0 0 "[ . 1 . 2]" 1
388 2 31 LYS HD3 2 35 GLU HG2 5.200 . 5.700 5.442 5.199 5.645 . 0 0 "[ . 1 . 2]" 1
389 2 31 LYS QE 2 35 GLU HG2 4.500 . 5.000 3.961 3.667 4.331 . 0 0 "[ . 1 . 2]" 1
390 2 31 LYS HG3 2 35 GLU HG2 4.500 . 5.000 3.832 3.756 3.937 . 0 0 "[ . 1 . 2]" 1
391 2 31 LYS HG2 2 35 GLU HG2 4.500 . 5.000 3.098 2.917 3.244 . 0 0 "[ . 1 . 2]" 1
392 2 32 GLU H 2 32 GLU HB3 3.800 . 4.300 3.582 3.542 3.603 . 0 0 "[ . 1 . 2]" 1
393 2 32 GLU H 2 32 GLU QG 4.500 . 5.000 2.124 2.038 2.193 . 0 0 "[ . 1 . 2]" 1
394 2 32 GLU HB2 2 33 LEU HB3 4.500 . 5.000 4.950 4.866 5.010 0.010 8 0 "[ . 1 . 2]" 1
395 2 32 GLU HB2 2 33 LEU QD 4.500 . 5.000 4.995 4.846 5.057 0.057 12 0 "[ . 1 . 2]" 1
396 2 32 GLU HB3 2 33 LEU H 3.800 . 4.300 3.585 3.514 3.668 . 0 0 "[ . 1 . 2]" 1
397 2 32 GLU H 2 33 LEU H 4.500 . 5.000 2.633 2.601 2.681 . 0 0 "[ . 1 . 2]" 1
398 2 32 GLU HB3 2 36 LEU HB2 5.200 . 5.700 5.229 4.686 5.588 . 0 0 "[ . 1 . 2]" 1
399 2 32 GLU HA 2 36 LEU QD 4.500 . 5.000 4.060 3.370 4.470 . 0 0 "[ . 1 . 2]" 1
400 2 32 GLU HB3 2 36 LEU QD 4.500 . 5.000 3.025 2.409 3.402 . 0 0 "[ . 1 . 2]" 1
401 2 32 GLU HB3 2 36 LEU HG 5.200 . 5.700 3.766 3.380 4.128 . 0 0 "[ . 1 . 2]" 1
402 2 33 LEU H 2 33 LEU HB3 3.800 . 4.300 2.541 2.438 2.602 . 0 0 "[ . 1 . 2]" 1
403 2 33 LEU H 2 33 LEU HB2 3.800 . 4.300 2.352 2.278 2.512 . 0 0 "[ . 1 . 2]" 1
404 2 33 LEU HA 2 33 LEU QD 3.800 . 4.300 2.725 2.052 3.001 . 0 0 "[ . 1 . 2]" 1
405 2 33 LEU H 2 33 LEU QD 4.500 . 5.000 3.660 3.613 3.685 . 0 0 "[ . 1 . 2]" 1
406 2 33 LEU HA 2 33 LEU MD1 4.500 . 5.000 3.101 2.061 3.530 . 0 0 "[ . 1 . 2]" 1
407 2 33 LEU HA 2 33 LEU MD2 4.500 . 5.000 3.385 3.154 3.822 . 0 0 "[ . 1 . 2]" 1
408 2 33 LEU H 2 33 LEU HG 4.500 . 5.000 4.320 4.278 4.403 . 0 0 "[ . 1 . 2]" 1
409 2 33 LEU HA 2 34 LYS HA 5.200 . 5.700 4.830 4.805 4.856 . 0 0 "[ . 1 . 2]" 1
410 2 33 LEU QD 2 34 LYS HA 3.800 . 4.300 3.311 2.908 4.191 . 0 0 "[ . 1 . 2]" 1
411 2 33 LEU HB2 2 34 LYS H 4.500 . 5.000 3.702 3.640 3.799 . 0 0 "[ . 1 . 2]" 1
412 2 33 LEU QD 2 34 LYS H 3.800 . 4.300 3.393 3.166 3.799 . 0 0 "[ . 1 . 2]" 1
413 2 33 LEU HG 2 34 LYS H 4.500 . 5.000 4.310 3.547 4.654 . 0 0 "[ . 1 . 2]" 1
414 2 33 LEU H 2 34 LYS H 3.800 . 4.300 2.608 2.531 2.697 . 0 0 "[ . 1 . 2]" 1
415 2 33 LEU QD 2 35 GLU H 4.500 . 5.000 4.935 4.845 5.089 0.089 5 0 "[ . 1 . 2]" 1
416 2 33 LEU HA 2 36 LEU HB2 4.500 . 5.000 2.743 2.471 2.917 . 0 0 "[ . 1 . 2]" 1
417 2 33 LEU HA 2 36 LEU QD 4.500 . 5.000 2.859 2.336 3.901 . 0 0 "[ . 1 . 2]" 1
418 2 33 LEU H 2 36 LEU QD 4.500 . 5.000 4.310 3.841 4.739 . 0 0 "[ . 1 . 2]" 1
419 2 33 LEU HA 2 36 LEU MD1 4.500 . 5.000 2.983 2.341 5.009 0.009 15 0 "[ . 1 . 2]" 1
420 2 33 LEU HA 2 36 LEU MD2 4.500 . 5.000 4.890 4.011 5.032 0.032 13 0 "[ . 1 . 2]" 1
421 2 33 LEU HA 2 36 LEU HG 4.500 . 5.000 3.905 3.652 4.347 . 0 0 "[ . 1 . 2]" 1
422 2 33 LEU HA 2 36 LEU H 4.500 . 5.000 3.454 3.330 3.544 . 0 0 "[ . 1 . 2]" 1
423 2 33 LEU QD 2 36 LEU H 5.200 . 5.700 4.628 4.225 5.036 . 0 0 "[ . 1 . 2]" 1
424 2 33 LEU HA 2 37 LEU QD 5.200 . 5.700 3.831 2.943 4.262 . 0 0 "[ . 1 . 2]" 1
425 2 33 LEU QD 2 37 LEU QD 3.800 . 4.300 1.972 1.825 2.286 . 0 0 "[ . 1 . 2]" 1
426 2 33 LEU HG 2 37 LEU QD 5.200 . 5.700 2.745 2.191 3.296 . 0 0 "[ . 1 . 2]" 1
427 2 33 LEU HA 2 37 LEU H 4.500 . 5.000 3.915 3.667 4.065 . 0 0 "[ . 1 . 2]" 1
428 2 33 LEU QD 2 58 MET HA 4.500 . 5.000 3.220 2.637 3.679 . 0 0 "[ . 1 . 2]" 1
429 2 33 LEU QD 2 58 MET HG2 4.500 . 5.000 4.864 3.822 5.018 0.018 18 0 "[ . 1 . 2]" 1
430 2 33 LEU QD 2 69 VAL MG1 4.500 . 5.000 2.472 1.986 2.884 . 0 0 "[ . 1 . 2]" 1
431 2 34 LYS H 2 34 LYS HB3 3.800 . 4.300 2.285 2.257 2.332 . 0 0 "[ . 1 . 2]" 1
432 2 34 LYS H 2 34 LYS HB2 3.800 . 4.300 2.689 2.608 2.751 . 0 0 "[ . 1 . 2]" 1
433 2 34 LYS HA 2 34 LYS QD 3.800 . 4.300 2.201 2.108 2.275 . 0 0 "[ . 1 . 2]" 1
434 2 34 LYS H 2 34 LYS QD 4.500 . 5.000 4.208 4.117 4.276 . 0 0 "[ . 1 . 2]" 1
435 2 34 LYS HA 2 34 LYS QE 4.500 . 5.000 4.166 4.056 4.235 . 0 0 "[ . 1 . 2]" 1
436 2 34 LYS HB3 2 34 LYS QE 4.500 . 5.000 4.619 4.274 4.716 . 0 0 "[ . 1 . 2]" 1
437 2 34 LYS HA 2 34 LYS HE3 5.200 . 5.700 4.749 4.596 4.862 . 0 0 "[ . 1 . 2]" 1
438 2 34 LYS HA 2 34 LYS HE2 5.200 . 5.700 4.615 4.486 4.800 . 0 0 "[ . 1 . 2]" 1
439 2 34 LYS HA 2 34 LYS HG3 3.800 . 4.300 3.321 3.268 3.354 . 0 0 "[ . 1 . 2]" 1
440 2 34 LYS H 2 34 LYS HG3 4.500 . 5.000 4.282 4.261 4.319 . 0 0 "[ . 1 . 2]" 1
441 2 34 LYS HA 2 35 GLU HA 5.200 . 5.700 4.677 4.656 4.696 . 0 0 "[ . 1 . 2]" 1
442 2 34 LYS HB2 2 35 GLU HG2 5.200 . 5.700 4.776 4.689 4.873 . 0 0 "[ . 1 . 2]" 1
443 2 34 LYS QD 2 35 GLU HG2 4.500 . 5.000 4.767 4.752 4.779 . 0 0 "[ . 1 . 2]" 1
444 2 34 LYS HG3 2 35 GLU HG2 4.500 . 5.000 3.052 2.970 3.132 . 0 0 "[ . 1 . 2]" 1
445 2 34 LYS HB3 2 35 GLU H 3.800 . 4.300 2.584 2.484 2.646 . 0 0 "[ . 1 . 2]" 1
446 2 34 LYS HB2 2 35 GLU H 4.500 . 5.000 3.931 3.865 3.988 . 0 0 "[ . 1 . 2]" 1
447 2 34 LYS QD 2 35 GLU H 4.500 . 5.000 4.184 4.143 4.219 . 0 0 "[ . 1 . 2]" 1
448 2 34 LYS HD3 2 35 GLU H 5.200 . 5.700 5.180 5.053 5.253 . 0 0 "[ . 1 . 2]" 1
449 2 34 LYS HD2 2 35 GLU H . . 5.000 4.417 4.370 4.477 . 0 0 "[ . 1 . 2]" 1
450 2 34 LYS HG3 2 35 GLU H 3.800 . 4.300 3.255 3.153 3.415 . 0 0 "[ . 1 . 2]" 1
451 2 34 LYS H 2 35 GLU H 3.800 . 4.300 2.684 2.568 2.750 . 0 0 "[ . 1 . 2]" 1
452 2 34 LYS QD 2 38 GLN HB3 3.800 . 4.300 3.324 3.141 3.457 . 0 0 "[ . 1 . 2]" 1
453 2 34 LYS QD 2 38 GLN HB2 4.500 . 5.000 2.204 2.124 2.246 . 0 0 "[ . 1 . 2]" 1
454 2 34 LYS QD 2 38 GLN HG3 5.200 . 5.700 4.254 4.113 4.348 . 0 0 "[ . 1 . 2]" 1
455 2 34 LYS QD 2 38 GLN HG2 4.500 . 5.000 4.889 4.872 4.910 . 0 0 "[ . 1 . 2]" 1
456 2 34 LYS QE 2 47 ALA HA 5.200 . 5.700 5.077 4.562 5.705 0.005 4 0 "[ . 1 . 2]" 1
457 2 34 LYS QE 2 47 ALA MB 3.800 . 4.300 2.735 2.024 4.324 0.024 11 0 "[ . 1 . 2]" 1
458 2 34 LYS HB2 2 54 VAL HA 5.200 . 5.700 5.717 5.708 5.726 0.026 7 0 "[ . 1 . 2]" 1
459 2 34 LYS QD 2 54 VAL HA 5.200 . 5.700 4.558 4.292 4.800 . 0 0 "[ . 1 . 2]" 1
460 2 34 LYS QD 2 54 VAL HB 4.500 . 5.000 3.848 2.700 4.175 . 0 0 "[ . 1 . 2]" 1
461 2 34 LYS QE 2 54 VAL HB 3.800 . 4.300 4.209 3.957 4.329 0.029 7 0 "[ . 1 . 2]" 1
462 2 34 LYS HA 2 54 VAL QG 3.800 . 4.300 2.998 2.642 3.308 . 0 0 "[ . 1 . 2]" 1
463 2 34 LYS QD 2 54 VAL QG 2.800 . 3.300 1.892 1.828 1.949 . 0 0 "[ . 1 . 2]" 1
464 2 34 LYS QE 2 54 VAL QG 3.800 . 4.300 2.211 2.104 2.457 . 0 0 "[ . 1 . 2]" 1
465 2 34 LYS HA 2 54 VAL MG1 3.800 . 4.300 3.269 2.831 3.523 . 0 0 "[ . 1 . 2]" 1
466 2 34 LYS HB2 2 54 VAL MG1 3.800 . 4.300 2.470 2.219 3.767 . 0 0 "[ . 1 . 2]" 1
467 2 34 LYS HD3 2 54 VAL MG1 . . 4.300 2.349 2.002 2.804 . 0 0 "[ . 1 . 2]" 1
468 2 34 LYS HD2 2 54 VAL MG1 4.500 . 5.000 3.775 2.720 4.248 . 0 0 "[ . 1 . 2]" 1
469 2 34 LYS HG2 2 54 VAL MG1 4.500 . 5.000 3.601 3.285 3.982 . 0 0 "[ . 1 . 2]" 1
470 2 34 LYS HA 2 54 VAL MG2 3.800 . 4.300 3.532 3.003 4.312 0.012 13 0 "[ . 1 . 2]" 1
471 2 34 LYS HB2 2 54 VAL MG2 3.800 . 4.300 3.614 3.300 3.877 . 0 0 "[ . 1 . 2]" 1
472 2 34 LYS HD3 2 54 VAL MG2 . . 4.300 2.065 1.992 2.567 . 0 0 "[ . 1 . 2]" 1
473 2 34 LYS HD2 2 54 VAL MG2 4.500 . 5.000 3.155 2.844 4.139 . 0 0 "[ . 1 . 2]" 1
474 2 34 LYS HG2 2 54 VAL MG2 4.500 . 5.000 3.861 3.636 4.036 . 0 0 "[ . 1 . 2]" 1
475 2 35 GLU H 2 35 GLU HG2 3.800 . 4.300 2.151 2.118 2.218 . 0 0 "[ . 1 . 2]" 1
476 2 35 GLU H 2 36 LEU QD 5.200 . 5.700 4.717 3.813 4.930 . 0 0 "[ . 1 . 2]" 1
477 2 35 GLU H 2 36 LEU H 3.800 . 4.300 2.680 2.642 2.724 . 0 0 "[ . 1 . 2]" 1
478 2 36 LEU H 2 36 LEU HB3 3.800 . 4.300 3.598 3.505 3.632 . 0 0 "[ . 1 . 2]" 1
479 2 36 LEU HA 2 36 LEU QD 3.800 . 4.300 2.101 1.974 2.261 . 0 0 "[ . 1 . 2]" 1
480 2 36 LEU HB3 2 36 LEU QD 2.800 . 3.300 2.067 2.016 2.177 . 0 0 "[ . 1 . 2]" 1
481 2 36 LEU H 2 36 LEU QD 3.800 . 4.300 3.053 2.050 3.232 . 0 0 "[ . 1 . 2]" 1
482 2 36 LEU HA 2 36 LEU MD1 4.500 . 5.000 3.659 2.390 3.823 . 0 0 "[ . 1 . 2]" 1
483 2 36 LEU HA 2 36 LEU MD2 4.500 . 5.000 2.124 2.016 2.278 . 0 0 "[ . 1 . 2]" 1
484 2 36 LEU HB3 2 37 LEU QD 4.500 . 5.000 3.294 2.640 3.681 . 0 0 "[ . 1 . 2]" 1
485 2 36 LEU HB3 2 37 LEU H 4.500 . 5.000 3.404 3.097 3.591 . 0 0 "[ . 1 . 2]" 1
486 2 36 LEU HB2 2 37 LEU H 4.500 . 5.000 2.555 2.450 2.715 . 0 0 "[ . 1 . 2]" 1
487 2 36 LEU H 2 37 LEU H 4.500 . 5.000 2.765 2.716 2.823 . 0 0 "[ . 1 . 2]" 1
488 2 36 LEU HA 2 39 THR HB 4.500 . 5.000 4.415 4.166 4.816 . 0 0 "[ . 1 . 2]" 1
489 2 36 LEU HA 2 39 THR MG 4.500 . 5.000 2.361 2.179 2.535 . 0 0 "[ . 1 . 2]" 1
490 2 36 LEU HB3 2 39 THR MG 4.500 . 5.000 4.324 4.111 4.561 . 0 0 "[ . 1 . 2]" 1
491 2 36 LEU HB2 2 39 THR MG 4.500 . 5.000 4.866 4.673 5.008 0.008 18 0 "[ . 1 . 2]" 1
492 2 36 LEU QD 2 40 GLU QB 5.200 . 5.700 4.045 3.700 4.310 . 0 0 "[ . 1 . 2]" 1
493 2 36 LEU HA 2 40 GLU QG 4.500 . 5.000 2.761 2.490 3.721 . 0 0 "[ . 1 . 2]" 1
494 2 36 LEU HB3 2 40 GLU QG 4.500 . 5.000 3.668 3.108 4.856 . 0 0 "[ . 1 . 2]" 1
495 2 36 LEU QD 2 40 GLU QG 3.800 . 4.300 2.842 2.232 3.965 . 0 0 "[ . 1 . 2]" 1
496 2 37 LEU HA 2 37 LEU QD 3.800 . 4.300 2.161 2.004 2.818 . 0 0 "[ . 1 . 2]" 1
497 2 37 LEU H 2 37 LEU QD 3.800 . 4.300 2.695 1.791 3.001 0.009 6 0 "[ . 1 . 2]" 1
498 2 37 LEU HA 2 37 LEU MD1 4.500 . 5.000 3.484 2.222 3.776 . 0 0 "[ . 1 . 2]" 1
499 2 37 LEU H 2 37 LEU MD1 4.500 . 5.000 3.234 1.796 3.738 0.004 6 0 "[ . 1 . 2]" 1
500 2 37 LEU HA 2 37 LEU MD2 4.500 . 5.000 2.443 2.012 3.761 . 0 0 "[ . 1 . 2]" 1
501 2 37 LEU H 2 37 LEU MD2 4.500 . 5.000 3.303 3.037 4.030 . 0 0 "[ . 1 . 2]" 1
502 2 37 LEU H 2 37 LEU HG 4.500 . 5.000 2.555 2.088 3.880 . 0 0 "[ . 1 . 2]" 1
503 2 37 LEU H 2 38 GLN HB3 4.500 . 5.000 4.782 4.726 4.867 . 0 0 "[ . 1 . 2]" 1
504 2 37 LEU QB 2 38 GLN H 4.500 . 5.000 2.493 2.384 2.610 . 0 0 "[ . 1 . 2]" 1
505 2 37 LEU MD1 2 38 GLN H 4.500 . 5.000 4.355 3.854 4.628 . 0 0 "[ . 1 . 2]" 1
506 2 37 LEU MD2 2 38 GLN H 4.500 . 5.000 4.539 4.478 4.710 . 0 0 "[ . 1 . 2]" 1
507 2 37 LEU H 2 38 GLN H 4.500 . 5.000 2.582 2.541 2.628 . 0 0 "[ . 1 . 2]" 1
508 2 37 LEU HA 2 41 LEU QD 3.800 . 4.300 3.027 2.234 4.217 . 0 0 "[ . 1 . 2]" 1
509 2 37 LEU HA 2 41 LEU MD1 5.200 . 5.700 3.200 2.252 5.720 0.020 20 0 "[ . 1 . 2]" 1
510 2 37 LEU HA 2 41 LEU MD2 5.200 . 5.700 4.388 3.459 5.292 . 0 0 "[ . 1 . 2]" 1
511 2 37 LEU QB 2 45 LEU QB 4.500 . 5.000 2.744 2.244 4.530 . 0 0 "[ . 1 . 2]" 1
512 2 37 LEU QB 2 45 LEU QD 3.800 . 4.300 2.239 1.962 3.752 . 0 0 "[ . 1 . 2]" 1
513 2 37 LEU QD 2 74 TYR HD1 4.500 . 5.000 3.730 3.415 4.184 . 0 0 "[ . 1 . 2]" 1
514 2 37 LEU QD 2 74 TYR HE1 3.800 . 4.300 2.107 1.962 2.422 . 0 0 "[ . 1 . 2]" 1
515 2 37 LEU HG 2 74 TYR HE1 4.500 . 5.000 3.395 2.664 4.365 . 0 0 "[ . 1 . 2]" 1
516 2 37 LEU QD 2 78 VAL HA 4.500 . 5.000 4.473 4.042 4.997 . 0 0 "[ . 1 . 2]" 1
517 2 37 LEU MD1 2 78 VAL HA 5.200 . 5.700 5.506 5.025 5.724 0.024 2 0 "[ . 1 . 2]" 1
518 2 37 LEU MD2 2 78 VAL HA 5.200 . 5.700 4.751 4.190 5.536 . 0 0 "[ . 1 . 2]" 1
519 2 38 GLN H 2 38 GLN HB3 3.800 . 4.300 2.535 2.502 2.591 . 0 0 "[ . 1 . 2]" 1
520 2 38 GLN H 2 38 GLN HB2 3.800 . 4.300 2.478 2.452 2.511 . 0 0 "[ . 1 . 2]" 1
521 2 38 GLN HA 2 38 GLN HG3 3.800 . 4.300 2.447 2.413 2.479 . 0 0 "[ . 1 . 2]" 1
522 2 38 GLN HA 2 38 GLN HG2 3.800 . 4.300 3.021 3.002 3.047 . 0 0 "[ . 1 . 2]" 1
523 2 38 GLN H 2 38 GLN HG2 4.500 . 5.000 4.417 4.392 4.452 . 0 0 "[ . 1 . 2]" 1
524 2 38 GLN HA 2 39 THR HA 4.500 . 5.000 4.593 4.541 4.619 . 0 0 "[ . 1 . 2]" 1
525 2 38 GLN HB3 2 39 THR HA 4.500 . 5.000 4.308 4.232 4.360 . 0 0 "[ . 1 . 2]" 1
526 2 38 GLN HG3 2 39 THR HA 4.500 . 5.000 5.017 5.009 5.026 0.026 15 0 "[ . 1 . 2]" 1
527 2 38 GLN HG2 2 39 THR HA 4.500 . 5.000 3.585 3.539 3.651 . 0 0 "[ . 1 . 2]" 1
528 2 38 GLN HG2 2 39 THR HB 5.200 . 5.700 4.406 4.343 4.498 . 0 0 "[ . 1 . 2]" 1
529 2 38 GLN HB3 2 39 THR MG 4.500 . 5.000 4.502 4.210 4.695 . 0 0 "[ . 1 . 2]" 1
530 2 38 GLN HB3 2 39 THR H 4.500 . 5.000 2.605 2.538 2.652 . 0 0 "[ . 1 . 2]" 1
531 2 38 GLN HB2 2 39 THR H 4.500 . 5.000 3.888 3.840 3.920 . 0 0 "[ . 1 . 2]" 1
532 2 38 GLN HG2 2 39 THR H 4.500 . 5.000 3.722 3.691 3.769 . 0 0 "[ . 1 . 2]" 1
533 2 38 GLN H 2 39 THR H 4.500 . 5.000 2.756 2.716 2.792 . 0 0 "[ . 1 . 2]" 1
534 2 38 GLN HA 2 40 GLU H 4.500 . 5.000 4.979 4.585 5.028 0.028 6 0 "[ . 1 . 2]" 1
535 2 38 GLN HB2 2 47 ALA MB 4.500 . 5.000 3.784 2.893 5.006 0.006 18 0 "[ . 1 . 2]" 1
536 2 38 GLN HG3 2 47 ALA MB 4.500 . 5.000 3.477 2.932 4.587 . 0 0 "[ . 1 . 2]" 1
537 2 39 THR H 2 39 THR MG 3.800 . 4.300 2.382 2.179 2.574 . 0 0 "[ . 1 . 2]" 1
538 2 39 THR HA 2 40 GLU HA 4.500 . 5.000 4.690 4.520 4.749 . 0 0 "[ . 1 . 2]" 1
539 2 39 THR MG 2 40 GLU HA 3.800 . 4.300 3.008 2.947 3.772 . 0 0 "[ . 1 . 2]" 1
540 2 39 THR MG 2 40 GLU QB 3.800 . 4.300 3.356 3.313 3.451 . 0 0 "[ . 1 . 2]" 1
541 2 39 THR MG 2 40 GLU HB3 4.500 . 5.000 4.151 4.098 4.353 . 0 0 "[ . 1 . 2]" 1
542 2 39 THR MG 2 40 GLU HB2 4.500 . 5.000 3.546 3.451 3.671 . 0 0 "[ . 1 . 2]" 1
543 2 39 THR MG 2 40 GLU QG 3.800 . 4.300 2.007 1.943 2.106 . 0 0 "[ . 1 . 2]" 1
544 2 39 THR MG 2 40 GLU H 4.500 . 5.000 1.811 1.790 2.100 0.010 9 0 "[ . 1 . 2]" 1
545 2 39 THR H 2 40 GLU H 3.800 . 4.300 2.556 2.496 2.636 . 0 0 "[ . 1 . 2]" 1
546 2 40 GLU H 2 40 GLU QG 4.500 . 5.000 2.218 2.139 2.557 . 0 0 "[ . 1 . 2]" 1
547 2 40 GLU H 2 41 LEU QD 4.500 . 5.000 4.169 3.597 4.933 . 0 0 "[ . 1 . 2]" 1
548 2 41 LEU HA 2 41 LEU QD 3.800 . 4.300 2.465 1.977 2.874 . 0 0 "[ . 1 . 2]" 1
549 2 41 LEU HA 2 41 LEU MD1 4.500 . 5.000 3.216 2.039 3.819 . 0 0 "[ . 1 . 2]" 1
550 2 41 LEU HA 2 41 LEU MD2 4.500 . 5.000 2.968 2.049 3.680 . 0 0 "[ . 1 . 2]" 1
551 2 41 LEU HA 2 42 SER QB 4.500 . 5.000 4.671 4.368 5.007 0.007 11 0 "[ . 1 . 2]" 1
552 2 41 LEU HB2 2 42 SER H 4.500 . 5.000 4.325 3.653 4.464 . 0 0 "[ . 1 . 2]" 1
553 2 41 LEU QD 2 42 SER H 4.500 . 5.000 4.196 3.748 4.464 . 0 0 "[ . 1 . 2]" 1
554 2 41 LEU HB3 2 44 PHE HA 4.500 . 5.000 4.902 4.682 5.093 0.093 11 0 "[ . 1 . 2]" 1
555 2 41 LEU QD 2 44 PHE HA 5.200 . 5.700 4.863 4.580 5.226 . 0 0 "[ . 1 . 2]" 1
556 2 41 LEU HA 2 44 PHE QB 4.500 . 5.000 3.767 2.256 4.269 . 0 0 "[ . 1 . 2]" 1
557 2 41 LEU HB3 2 44 PHE QB 4.500 . 5.000 2.357 2.192 2.536 . 0 0 "[ . 1 . 2]" 1
558 2 41 LEU HB2 2 44 PHE QB 5.200 . 5.700 3.923 3.566 4.163 . 0 0 "[ . 1 . 2]" 1
559 2 41 LEU QD 2 44 PHE QB 4.500 . 5.000 2.397 2.149 2.696 . 0 0 "[ . 1 . 2]" 1
560 2 41 LEU QD 2 44 PHE HD2 4.500 . 5.000 3.075 2.198 3.772 . 0 0 "[ . 1 . 2]" 1
561 2 43 GLY HA2 2 46 ASP HA 4.500 . 5.000 4.537 4.346 4.824 . 0 0 "[ . 1 . 2]" 1
562 2 43 GLY HA2 2 46 ASP QB 3.800 . 4.300 2.810 2.579 4.401 0.101 11 0 "[ . 1 . 2]" 1
563 2 44 PHE HA 2 44 PHE HD1 3.800 . 4.300 2.786 2.472 3.630 . 0 0 "[ . 1 . 2]" 1
564 2 44 PHE HA 2 45 LEU QD 4.500 . 5.000 3.977 3.697 4.498 . 0 0 "[ . 1 . 2]" 1
565 2 44 PHE QB 2 45 LEU QD 3.800 . 4.300 2.386 2.055 3.411 . 0 0 "[ . 1 . 2]" 1
566 2 44 PHE QB 2 45 LEU H 4.500 . 5.000 2.536 2.438 2.667 . 0 0 "[ . 1 . 2]" 1
567 2 44 PHE H 2 45 LEU H 4.500 . 5.000 2.847 2.630 2.940 . 0 0 "[ . 1 . 2]" 1
568 2 44 PHE HA 2 85 CYS HA 5.200 . 5.700 4.921 4.194 5.514 . 0 0 "[ . 1 . 2]" 1
569 2 44 PHE HA 2 85 CYS QB 4.500 . 5.000 4.859 4.365 5.020 0.020 2 0 "[ . 1 . 2]" 1
570 2 45 LEU HA 2 45 LEU QD 2.800 . 3.300 2.088 1.940 2.788 . 0 0 "[ . 1 . 2]" 1
571 2 45 LEU H 2 45 LEU QD 4.500 . 5.000 2.484 2.090 3.251 . 0 0 "[ . 1 . 2]" 1
572 2 45 LEU HA 2 45 LEU MD1 3.800 . 4.300 2.703 2.148 3.762 . 0 0 "[ . 1 . 2]" 1
573 2 45 LEU HA 2 45 LEU MD2 3.800 . 4.300 2.573 2.005 3.771 . 0 0 "[ . 1 . 2]" 1
574 2 45 LEU HB3 2 46 ASP HA 5.200 . 5.700 4.925 4.620 5.277 . 0 0 "[ . 1 . 2]" 1
575 2 45 LEU HB2 2 46 ASP HA 5.200 . 5.700 4.795 4.382 5.010 . 0 0 "[ . 1 . 2]" 1
576 2 45 LEU QB 2 46 ASP H 4.500 . 5.000 3.354 1.810 3.505 . 0 0 "[ . 1 . 2]" 1
577 2 45 LEU HB3 2 46 ASP H 4.500 . 5.000 4.114 3.043 4.356 . 0 0 "[ . 1 . 2]" 1
578 2 45 LEU HB2 2 46 ASP H 4.500 . 5.000 3.567 1.823 3.738 . 0 0 "[ . 1 . 2]" 1
579 2 45 LEU QD 2 46 ASP H 4.500 . 5.000 4.005 3.661 4.337 . 0 0 "[ . 1 . 2]" 1
580 2 45 LEU MD1 2 78 VAL HA 5.200 . 5.700 5.349 4.167 5.720 0.020 20 0 "[ . 1 . 2]" 1
581 2 45 LEU MD2 2 78 VAL HA 5.200 . 5.700 5.470 4.647 5.717 0.017 18 0 "[ . 1 . 2]" 1
582 2 45 LEU QD 2 81 LEU HB3 4.500 . 5.000 2.933 1.863 4.140 . 0 0 "[ . 1 . 2]" 1
583 2 45 LEU QD 2 81 LEU HB2 4.500 . 5.000 3.753 2.672 4.412 . 0 0 "[ . 1 . 2]" 1
584 2 45 LEU MD1 2 81 LEU HB2 4.500 . 5.000 4.299 2.801 5.007 0.007 13 0 "[ . 1 . 2]" 1
585 2 45 LEU MD2 2 81 LEU HB2 4.500 . 5.000 4.183 3.374 4.979 . 0 0 "[ . 1 . 2]" 1
586 2 45 LEU QD 2 81 LEU QD 4.500 . 5.000 2.167 1.783 2.918 0.017 20 0 "[ . 1 . 2]" 1
587 2 45 LEU QD 2 85 CYS HA 5.200 . 5.700 4.934 3.180 5.720 0.020 15 0 "[ . 1 . 2]" 1
588 2 45 LEU QD 2 85 CYS QB 4.500 . 5.000 4.389 2.696 5.006 0.006 6 0 "[ . 1 . 2]" 1
589 2 46 ASP HA 2 47 ALA HA 4.500 . 5.000 4.532 4.341 5.011 0.011 11 0 "[ . 1 . 2]" 1
590 2 46 ASP HA 2 47 ALA MB 4.500 . 5.000 4.058 3.743 4.718 . 0 0 "[ . 1 . 2]" 1
591 2 46 ASP QB 2 49 LYS QB 4.500 . 5.000 4.241 3.648 5.022 0.022 18 0 "[ . 1 . 2]" 1
592 2 47 ALA MB 2 48 GLN H 4.500 . 5.000 2.942 2.509 3.484 . 0 0 "[ . 1 . 2]" 1
593 2 47 ALA HA 2 50 ASP QB 4.500 . 5.000 4.235 3.169 5.015 0.015 11 0 "[ . 1 . 2]" 1
594 2 47 ALA MB 2 51 VAL HA 4.500 . 5.000 3.305 2.256 5.001 0.001 19 0 "[ . 1 . 2]" 1
595 2 47 ALA HA 2 53 ALA MB 4.500 . 5.000 3.835 3.184 4.521 . 0 0 "[ . 1 . 2]" 1
596 2 48 GLN HA 2 48 GLN QG 3.800 . 4.300 2.343 2.312 2.404 . 0 0 "[ . 1 . 2]" 1
597 2 48 GLN QB 2 49 LYS HG2 4.500 . 5.000 3.614 2.645 4.171 . 0 0 "[ . 1 . 2]" 1
598 2 48 GLN HB3 2 49 LYS HG2 4.500 . 5.000 4.551 3.278 5.024 0.024 1 0 "[ . 1 . 2]" 1
599 2 48 GLN HB2 2 49 LYS HG2 4.500 . 5.000 3.954 2.792 5.031 0.031 18 0 "[ . 1 . 2]" 1
600 2 49 LYS HA 2 49 LYS HD3 3.800 . 4.300 2.928 2.124 4.405 0.105 2 0 "[ . 1 . 2]" 1
601 2 49 LYS HA 2 49 LYS QE 3.800 . 4.300 4.049 3.556 4.339 0.039 12 0 "[ . 1 . 2]" 1
602 2 49 LYS QE 2 49 LYS HG2 2.800 . 3.300 2.479 2.204 3.275 . 0 0 "[ . 1 . 2]" 1
603 2 49 LYS HA 2 49 LYS HG2 3.800 . 4.300 2.824 2.178 3.192 . 0 0 "[ . 1 . 2]" 1
604 2 49 LYS QB 2 50 ASP QB 5.200 . 5.700 3.583 3.209 4.022 . 0 0 "[ . 1 . 2]" 1
605 2 49 LYS QE 2 50 ASP H 5.200 . 5.700 5.582 4.506 5.760 0.060 17 0 "[ . 1 . 2]" 1
606 2 50 ASP HA 2 51 VAL HA 4.500 . 5.000 4.521 4.374 4.755 . 0 0 "[ . 1 . 2]" 1
607 2 50 ASP QB 2 51 VAL HA 5.200 . 5.700 4.671 4.172 4.957 . 0 0 "[ . 1 . 2]" 1
608 2 50 ASP HA 2 51 VAL HB 4.500 . 5.000 4.548 4.430 4.743 . 0 0 "[ . 1 . 2]" 1
609 2 50 ASP QB 2 53 ALA HA 4.500 . 5.000 3.774 3.337 4.092 . 0 0 "[ . 1 . 2]" 1
610 2 50 ASP HB3 2 53 ALA HA 4.500 . 5.000 3.961 3.589 4.348 . 0 0 "[ . 1 . 2]" 1
611 2 50 ASP HB2 2 53 ALA HA 4.500 . 5.000 4.809 3.785 5.063 0.063 13 0 "[ . 1 . 2]" 1
612 2 50 ASP HA 2 53 ALA MB 4.500 . 5.000 4.130 3.995 4.290 . 0 0 "[ . 1 . 2]" 1
613 2 50 ASP QB 2 53 ALA MB 3.800 . 4.300 1.986 1.839 2.148 . 0 0 "[ . 1 . 2]" 1
614 2 50 ASP HB3 2 53 ALA MB 3.800 . 4.300 2.182 1.959 2.900 . 0 0 "[ . 1 . 2]" 1
615 2 50 ASP HB2 2 53 ALA MB 3.800 . 4.300 2.492 2.014 3.367 . 0 0 "[ . 1 . 2]" 1
616 2 50 ASP HA 2 53 ALA H 4.500 . 5.000 4.134 3.788 5.075 0.075 19 0 "[ . 1 . 2]" 1
617 2 51 VAL HA 2 52 ASP HA 4.500 . 5.000 4.746 4.324 4.873 . 0 0 "[ . 1 . 2]" 1
618 2 51 VAL HB 2 52 ASP HA 5.200 . 5.700 4.467 4.310 5.712 0.012 19 0 "[ . 1 . 2]" 1
619 2 51 VAL MG1 2 52 ASP HA 4.500 . 5.000 3.343 3.088 4.068 . 0 0 "[ . 1 . 2]" 1
620 2 51 VAL HB 2 52 ASP QB 4.500 . 5.000 4.228 3.939 4.562 . 0 0 "[ . 1 . 2]" 1
621 2 51 VAL MG1 2 52 ASP QB 3.800 . 4.300 4.052 2.864 4.355 0.055 7 0 "[ . 1 . 2]" 1
622 2 51 VAL MG1 2 53 ALA H 4.500 . 5.000 4.620 4.272 4.798 . 0 0 "[ . 1 . 2]" 1
623 2 53 ALA HA 2 54 VAL HA 4.500 . 5.000 4.853 4.829 4.883 . 0 0 "[ . 1 . 2]" 1
624 2 53 ALA MB 2 54 VAL HA 4.500 . 5.000 3.810 3.709 3.879 . 0 0 "[ . 1 . 2]" 1
625 2 53 ALA HA 2 54 VAL QG 5.200 . 5.700 4.781 4.353 4.847 . 0 0 "[ . 1 . 2]" 1
626 2 53 ALA MB 2 54 VAL QG 4.500 . 5.000 3.336 3.102 3.480 . 0 0 "[ . 1 . 2]" 1
627 2 53 ALA HA 2 55 ASP H 4.500 . 5.000 4.353 4.241 4.497 . 0 0 "[ . 1 . 2]" 1
628 2 53 ALA MB 2 55 ASP H 4.500 . 5.000 4.719 4.579 4.795 . 0 0 "[ . 1 . 2]" 1
629 2 53 ALA HA 2 56 LYS HB2 2.800 . 3.300 2.636 2.373 2.898 . 0 0 "[ . 1 . 2]" 1
630 2 53 ALA HA 2 56 LYS H 3.800 . 4.300 3.250 2.977 3.538 . 0 0 "[ . 1 . 2]" 1
631 2 53 ALA HA 2 57 VAL QG 5.200 . 5.700 3.909 3.404 4.167 . 0 0 "[ . 1 . 2]" 1
632 2 53 ALA HA 2 57 VAL H 4.500 . 5.000 4.133 3.882 4.242 . 0 0 "[ . 1 . 2]" 1
633 2 54 VAL QG 2 55 ASP HA 4.500 . 5.000 3.220 2.992 3.299 . 0 0 "[ . 1 . 2]" 1
634 2 54 VAL HB 2 55 ASP QB 5.200 . 5.700 4.571 4.004 5.164 . 0 0 "[ . 1 . 2]" 1
635 2 54 VAL QG 2 55 ASP QB 4.500 . 5.000 4.180 2.799 4.369 . 0 0 "[ . 1 . 2]" 1
636 2 54 VAL HB 2 55 ASP H 4.500 . 5.000 2.608 2.490 3.803 . 0 0 "[ . 1 . 2]" 1
637 2 54 VAL QG 2 55 ASP H 3.800 . 4.300 3.005 1.796 3.109 0.004 13 0 "[ . 1 . 2]" 1
638 2 54 VAL H 2 55 ASP H 4.500 . 5.000 2.807 2.667 2.891 . 0 0 "[ . 1 . 2]" 1
639 2 54 VAL HA 2 56 LYS HB2 5.200 . 5.700 5.192 4.981 5.403 . 0 0 "[ . 1 . 2]" 1
640 2 54 VAL QG 2 56 LYS H 5.200 . 5.700 4.501 3.867 4.583 . 0 0 "[ . 1 . 2]" 1
641 2 54 VAL HA 2 57 VAL H 4.500 . 5.000 3.443 3.109 3.696 . 0 0 "[ . 1 . 2]" 1
642 2 54 VAL QG 2 58 MET HG3 4.500 . 5.000 4.718 4.319 4.993 . 0 0 "[ . 1 . 2]" 1
643 2 54 VAL QG 2 58 MET HG2 3.800 . 4.300 4.144 3.833 4.316 0.016 9 0 "[ . 1 . 2]" 1
644 2 54 VAL HA 2 58 MET H 4.500 . 5.000 4.104 3.968 4.200 . 0 0 "[ . 1 . 2]" 1
645 2 54 VAL QG 2 58 MET H 4.500 . 5.000 3.855 3.644 4.528 . 0 0 "[ . 1 . 2]" 1
646 2 55 ASP H 2 55 ASP HB3 3.800 . 4.300 3.396 2.610 3.598 . 0 0 "[ . 1 . 2]" 1
647 2 55 ASP H 2 55 ASP HB2 3.800 . 4.300 2.445 2.427 2.464 . 0 0 "[ . 1 . 2]" 1
648 2 55 ASP QB 2 56 LYS HA 4.500 . 5.000 3.887 3.835 4.007 . 0 0 "[ . 1 . 2]" 1
649 2 55 ASP H 2 56 LYS HB2 4.500 . 5.000 4.875 4.769 4.927 . 0 0 "[ . 1 . 2]" 1
650 2 55 ASP QB 2 56 LYS HD3 5.200 . 5.700 3.827 3.499 5.363 . 0 0 "[ . 1 . 2]" 1
651 2 55 ASP QB 2 56 LYS HD2 5.200 . 5.700 5.023 4.830 5.706 0.006 6 0 "[ . 1 . 2]" 1
652 2 55 ASP QB 2 56 LYS HG3 5.200 . 5.700 4.678 3.620 4.918 . 0 0 "[ . 1 . 2]" 1
653 2 55 ASP QB 2 56 LYS HG2 4.500 . 5.000 3.263 3.085 3.535 . 0 0 "[ . 1 . 2]" 1
654 2 55 ASP QB 2 56 LYS H 3.800 . 4.300 2.536 2.452 2.599 . 0 0 "[ . 1 . 2]" 1
655 2 55 ASP HA 2 58 MET QB 4.500 . 5.000 3.329 2.881 4.017 . 0 0 "[ . 1 . 2]" 1
656 2 55 ASP HA 2 58 MET HG3 4.500 . 5.000 2.782 2.610 2.885 . 0 0 "[ . 1 . 2]" 1
657 2 55 ASP HA 2 58 MET HG2 4.500 . 5.000 2.733 2.376 3.080 . 0 0 "[ . 1 . 2]" 1
658 2 55 ASP HA 2 58 MET H 4.500 . 5.000 3.456 3.297 3.645 . 0 0 "[ . 1 . 2]" 1
659 2 55 ASP HA 2 59 LYS H 4.500 . 5.000 3.988 3.866 4.065 . 0 0 "[ . 1 . 2]" 1
660 2 56 LYS HA 2 56 LYS HB3 2.800 . 3.300 2.445 2.418 2.452 . 0 0 "[ . 1 . 2]" 1
661 2 56 LYS H 2 56 LYS HB2 3.800 . 4.300 2.551 2.479 2.574 . 0 0 "[ . 1 . 2]" 1
662 2 56 LYS HD3 2 56 LYS HG3 2.800 . 3.300 2.899 2.481 2.975 . 0 0 "[ . 1 . 2]" 1
663 2 56 LYS HD3 2 56 LYS HG2 2.800 . 3.300 2.313 2.289 2.426 . 0 0 "[ . 1 . 2]" 1
664 2 56 LYS HA 2 56 LYS HD2 2.800 . 3.300 2.452 2.279 3.400 0.100 6 0 "[ . 1 . 2]" 1
665 2 56 LYS HB3 2 56 LYS HD2 3.800 . 4.300 2.250 2.233 2.254 . 0 0 "[ . 1 . 2]" 1
666 2 56 LYS HA 2 56 LYS QE 4.500 . 5.000 4.076 3.999 4.342 . 0 0 "[ . 1 . 2]" 1
667 2 56 LYS HB3 2 56 LYS QE 2.800 . 3.300 3.214 2.243 3.385 0.085 7 0 "[ . 1 . 2]" 1
668 2 56 LYS HA 2 56 LYS HG2 3.800 . 4.300 2.901 2.243 3.027 . 0 0 "[ . 1 . 2]" 1
669 2 56 LYS H 2 56 LYS HG2 4.500 . 5.000 2.093 1.962 2.757 . 0 0 "[ . 1 . 2]" 1
670 2 56 LYS HB3 2 57 VAL HA 5.200 . 5.700 4.475 4.370 4.520 . 0 0 "[ . 1 . 2]" 1
671 2 56 LYS HB2 2 57 VAL HA 4.500 . 5.000 4.247 4.185 4.345 . 0 0 "[ . 1 . 2]" 1
672 2 56 LYS HB2 2 57 VAL QG 4.500 . 5.000 3.051 2.840 3.170 . 0 0 "[ . 1 . 2]" 1
673 2 56 LYS H 2 57 VAL QG 5.200 . 5.700 3.986 3.638 4.161 . 0 0 "[ . 1 . 2]" 1
674 2 56 LYS HB2 2 57 VAL H 3.800 . 4.300 2.632 2.602 2.665 . 0 0 "[ . 1 . 2]" 1
675 2 56 LYS H 2 57 VAL H 3.800 . 4.300 2.692 2.600 2.796 . 0 0 "[ . 1 . 2]" 1
676 2 57 VAL H 2 57 VAL HB 3.800 . 4.300 2.783 2.389 3.654 . 0 0 "[ . 1 . 2]" 1
677 2 57 VAL HA 2 58 MET HG3 5.200 . 5.700 5.737 5.711 5.756 0.056 6 0 "[ . 1 . 2]" 1
678 2 57 VAL H 2 58 MET H 3.800 . 4.300 2.672 2.503 2.824 . 0 0 "[ . 1 . 2]" 1
679 2 57 VAL HA 2 60 GLU QB 4.500 . 5.000 3.240 2.836 3.797 . 0 0 "[ . 1 . 2]" 1
680 2 57 VAL HA 2 60 GLU QG 5.200 . 5.700 3.449 2.949 4.399 . 0 0 "[ . 1 . 2]" 1
681 2 57 VAL HA 2 60 GLU H 4.500 . 5.000 3.603 3.194 4.187 . 0 0 "[ . 1 . 2]" 1
682 2 57 VAL HA 2 61 LEU H 5.200 . 5.700 4.597 4.350 4.731 . 0 0 "[ . 1 . 2]" 1
683 2 57 VAL HA 2 77 LEU QD 4.500 . 5.000 3.732 2.694 5.010 0.010 5 0 "[ . 1 . 2]" 1
684 2 57 VAL QG 2 77 LEU QD 3.800 . 4.300 2.603 1.792 4.216 0.008 20 0 "[ . 1 . 2]" 1
685 2 58 MET QB 2 58 MET ME 3.800 . 4.300 2.226 2.061 2.544 . 0 0 "[ . 1 . 2]" 1
686 2 58 MET ME 2 58 MET HG3 3.800 . 4.300 3.306 3.244 3.341 . 0 0 "[ . 1 . 2]" 1
687 2 58 MET ME 2 58 MET HG2 3.800 . 4.300 2.224 2.189 2.319 . 0 0 "[ . 1 . 2]" 1
688 2 58 MET H 2 58 MET HG3 4.500 . 5.000 2.790 2.475 3.027 . 0 0 "[ . 1 . 2]" 1
689 2 58 MET H 2 58 MET HG2 4.500 . 5.000 3.710 3.514 3.917 . 0 0 "[ . 1 . 2]" 1
690 2 58 MET HG3 2 59 LYS HA 4.500 . 5.000 3.457 3.287 3.644 . 0 0 "[ . 1 . 2]" 1
691 2 58 MET HG3 2 59 LYS QB 3.800 . 4.300 3.448 2.936 4.003 . 0 0 "[ . 1 . 2]" 1
692 2 58 MET HG3 2 59 LYS QG 4.500 . 5.000 4.031 2.397 5.030 0.030 1 0 "[ . 1 . 2]" 1
693 2 58 MET QB 2 59 LYS H 4.500 . 5.000 3.451 3.343 3.501 . 0 0 "[ . 1 . 2]" 1
694 2 58 MET HB3 2 59 LYS H 4.500 . 5.000 3.712 3.613 3.783 . 0 0 "[ . 1 . 2]" 1
695 2 58 MET HB2 2 59 LYS H 4.500 . 5.000 4.107 3.859 4.188 . 0 0 "[ . 1 . 2]" 1
696 2 58 MET HG3 2 59 LYS H 4.500 . 5.000 1.952 1.809 2.073 . 0 0 "[ . 1 . 2]" 1
697 2 58 MET H 2 59 LYS H 3.800 . 4.300 2.676 2.509 2.776 . 0 0 "[ . 1 . 2]" 1
698 2 58 MET HA 2 61 LEU MD1 3.800 . 4.300 2.475 2.213 3.996 . 0 0 "[ . 1 . 2]" 1
699 2 58 MET HA 2 62 ASP QB 4.500 . 5.000 4.995 4.906 5.028 0.028 10 0 "[ . 1 . 2]" 1
700 2 58 MET ME 2 62 ASP QB 3.800 . 4.300 3.496 3.189 3.845 . 0 0 "[ . 1 . 2]" 1
701 2 58 MET ME 2 62 ASP HB3 4.500 . 5.000 4.516 4.125 5.007 0.007 9 0 "[ . 1 . 2]" 1
702 2 58 MET ME 2 62 ASP HB2 4.500 . 5.000 3.649 3.295 4.031 . 0 0 "[ . 1 . 2]" 1
703 2 58 MET HA 2 62 ASP H 4.500 . 5.000 4.152 3.900 4.335 . 0 0 "[ . 1 . 2]" 1
704 2 58 MET ME 2 62 ASP H 4.500 . 5.000 4.837 4.587 5.005 0.005 9 0 "[ . 1 . 2]" 1
705 2 58 MET ME 2 67 GLY QA 3.800 . 4.300 3.280 2.696 3.879 . 0 0 "[ . 1 . 2]" 1
706 2 58 MET ME 2 67 GLY HA3 4.500 . 5.000 4.361 3.635 5.029 0.029 9 0 "[ . 1 . 2]" 1
707 2 58 MET ME 2 67 GLY HA2 4.500 . 5.000 3.393 2.757 4.054 . 0 0 "[ . 1 . 2]" 1
708 2 58 MET ME 2 69 VAL HA 4.500 . 5.000 4.869 4.396 5.009 0.009 6 0 "[ . 1 . 2]" 1
709 2 58 MET HA 2 69 VAL MG1 4.500 . 5.000 4.146 3.805 4.381 . 0 0 "[ . 1 . 2]" 1
710 2 58 MET HA 2 69 VAL MG2 3.800 . 4.300 3.187 2.770 3.743 . 0 0 "[ . 1 . 2]" 1
711 2 58 MET QB 2 69 VAL MG2 3.800 . 4.300 2.660 2.402 3.097 . 0 0 "[ . 1 . 2]" 1
712 2 58 MET ME 2 69 VAL MG2 2.800 . 3.300 2.433 2.116 2.740 . 0 0 "[ . 1 . 2]" 1
713 2 59 LYS H 2 59 LYS QB 2.800 . 3.300 2.325 2.224 2.529 . 0 0 "[ . 1 . 2]" 1
714 2 59 LYS H 2 59 LYS QD 5.200 . 5.700 4.175 3.423 4.631 . 0 0 "[ . 1 . 2]" 1
715 2 59 LYS H 2 59 LYS QG 3.800 . 4.300 3.350 2.119 4.028 . 0 0 "[ . 1 . 2]" 1
716 2 59 LYS QB 2 60 GLU QG 4.500 . 5.000 3.226 3.152 3.367 . 0 0 "[ . 1 . 2]" 1
717 2 59 LYS QB 2 60 GLU H 3.800 . 4.300 2.596 2.524 2.717 . 0 0 "[ . 1 . 2]" 1
718 2 59 LYS HB3 2 60 GLU H 4.500 . 5.000 2.978 2.559 3.774 . 0 0 "[ . 1 . 2]" 1
719 2 59 LYS HB2 2 60 GLU H 4.500 . 5.000 3.468 2.715 3.876 . 0 0 "[ . 1 . 2]" 1
720 2 59 LYS H 2 61 LEU MD1 5.200 . 5.700 5.417 5.146 5.943 0.243 15 0 "[ . 1 . 2]" 1
721 2 60 GLU H 2 60 GLU QG 3.800 . 4.300 2.203 2.170 2.324 . 0 0 "[ . 1 . 2]" 1
722 2 60 GLU H 2 61 LEU HB2 4.500 . 5.000 4.830 4.693 5.003 0.003 15 0 "[ . 1 . 2]" 1
723 2 60 GLU H 2 61 LEU MD1 5.200 . 5.700 5.261 5.065 5.665 . 0 0 "[ . 1 . 2]" 1
724 2 60 GLU H 2 61 LEU MD2 5.200 . 5.700 5.048 4.811 5.463 . 0 0 "[ . 1 . 2]" 1
725 2 60 GLU H 2 61 LEU HG 4.500 . 5.000 4.199 4.074 5.094 0.094 15 0 "[ . 1 . 2]" 1
726 2 60 GLU H 2 61 LEU H 3.800 . 4.300 2.579 2.128 2.703 . 0 0 "[ . 1 . 2]" 1
727 2 61 LEU H 2 61 LEU MD1 4.500 . 5.000 3.616 3.404 3.955 . 0 0 "[ . 1 . 2]" 1
728 2 61 LEU HA 2 61 LEU MD2 3.800 . 4.300 2.148 2.010 3.922 . 0 0 "[ . 1 . 2]" 1
729 2 61 LEU H 2 61 LEU MD2 4.500 . 5.000 3.233 2.966 3.954 . 0 0 "[ . 1 . 2]" 1
730 2 61 LEU HA 2 61 LEU HG 3.800 . 4.300 3.091 2.898 3.705 . 0 0 "[ . 1 . 2]" 1
731 2 61 LEU H 2 61 LEU HG 3.800 . 4.300 2.203 2.081 3.469 . 0 0 "[ . 1 . 2]" 1
732 2 61 LEU HB3 2 62 ASP H 4.500 . 5.000 3.696 3.271 3.811 . 0 0 "[ . 1 . 2]" 1
733 2 61 LEU HB2 2 62 ASP H 4.500 . 5.000 2.741 2.165 4.275 . 0 0 "[ . 1 . 2]" 1
734 2 61 LEU MD1 2 62 ASP H 5.200 . 5.700 4.505 3.287 4.718 . 0 0 "[ . 1 . 2]" 1
735 2 61 LEU MD2 2 62 ASP H 5.200 . 5.700 4.561 4.304 4.677 . 0 0 "[ . 1 . 2]" 1
736 2 61 LEU HA 2 69 VAL MG1 4.500 . 5.000 4.200 3.935 5.064 0.064 15 0 "[ . 1 . 2]" 1
737 2 61 LEU HB3 2 69 VAL MG1 4.500 . 5.000 2.268 1.995 4.580 . 0 0 "[ . 1 . 2]" 1
738 2 61 LEU HB2 2 69 VAL MG1 4.500 . 5.000 2.896 2.458 4.247 . 0 0 "[ . 1 . 2]" 1
739 2 61 LEU HB2 2 69 VAL MG2 3.800 . 4.300 2.626 2.100 4.402 0.102 15 0 "[ . 1 . 2]" 1
740 2 61 LEU MD2 2 74 TYR HA 4.500 . 5.000 2.526 2.053 3.743 . 0 0 "[ . 1 . 2]" 1
741 2 61 LEU HB3 2 74 TYR QB 5.200 . 5.700 4.523 3.359 5.744 0.044 15 0 "[ . 1 . 2]" 1
742 2 61 LEU MD1 2 74 TYR QB 4.500 . 5.000 3.162 2.626 3.627 . 0 0 "[ . 1 . 2]" 1
743 2 61 LEU MD2 2 74 TYR QB 4.500 . 5.000 3.858 2.400 4.947 . 0 0 "[ . 1 . 2]" 1
744 2 61 LEU MD1 2 74 TYR HB3 4.500 . 5.000 4.586 3.835 5.014 0.014 9 0 "[ . 1 . 2]" 1
745 2 61 LEU MD1 2 74 TYR HB2 4.500 . 5.000 3.224 2.668 3.723 . 0 0 "[ . 1 . 2]" 1
746 2 61 LEU MD2 2 74 TYR HD1 4.500 . 5.000 3.419 2.058 4.929 . 0 0 "[ . 1 . 2]" 1
747 2 62 ASP H 2 62 ASP HB3 3.800 . 4.300 3.098 2.534 3.714 . 0 0 "[ . 1 . 2]" 1
748 2 62 ASP H 2 62 ASP HB2 3.800 . 4.300 2.470 2.291 2.637 . 0 0 "[ . 1 . 2]" 1
749 2 62 ASP HA 2 63 GLU HA 4.500 . 5.000 4.614 4.354 4.762 . 0 0 "[ . 1 . 2]" 1
750 2 62 ASP HA 2 63 GLU QB 4.500 . 5.000 4.371 4.160 4.592 . 0 0 "[ . 1 . 2]" 1
751 2 62 ASP HA 2 63 GLU HB3 5.200 . 5.700 4.739 4.469 4.973 . 0 0 "[ . 1 . 2]" 1
752 2 62 ASP HA 2 63 GLU HB2 5.200 . 5.700 5.163 4.773 5.716 0.016 7 0 "[ . 1 . 2]" 1
753 2 62 ASP HA 2 63 GLU H 3.800 . 4.300 2.533 2.184 2.889 . 0 0 "[ . 1 . 2]" 1
754 2 62 ASP QB 2 63 GLU H 3.800 . 4.300 3.879 2.805 4.036 . 0 0 "[ . 1 . 2]" 1
755 2 62 ASP HB3 2 63 GLU H 4.500 . 5.000 4.350 2.861 4.448 . 0 0 "[ . 1 . 2]" 1
756 2 62 ASP HB2 2 63 GLU H 4.500 . 5.000 4.400 4.041 4.633 . 0 0 "[ . 1 . 2]" 1
757 2 62 ASP QB 2 65 GLY H 4.500 . 5.000 3.397 3.040 4.761 . 0 0 "[ . 1 . 2]" 1
758 2 62 ASP HA 2 69 VAL MG1 4.500 . 5.000 4.416 3.849 4.912 . 0 0 "[ . 1 . 2]" 1
759 2 62 ASP H 2 69 VAL MG1 4.500 . 5.000 4.558 3.428 4.954 . 0 0 "[ . 1 . 2]" 1
760 2 62 ASP HA 2 69 VAL MG2 4.500 . 5.000 3.881 3.277 5.010 0.010 9 0 "[ . 1 . 2]" 1
761 2 63 GLU H 2 63 GLU HB3 3.800 . 4.300 2.515 2.457 2.565 . 0 0 "[ . 1 . 2]" 1
762 2 63 GLU H 2 63 GLU HB2 3.800 . 4.300 2.672 2.524 3.603 . 0 0 "[ . 1 . 2]" 1
763 2 63 GLU HA 2 63 GLU HG3 3.800 . 4.300 2.654 2.481 3.683 . 0 0 "[ . 1 . 2]" 1
764 2 63 GLU HA 2 63 GLU HG2 3.800 . 4.300 3.201 3.010 3.736 . 0 0 "[ . 1 . 2]" 1
765 2 63 GLU HA 2 64 ASN HA 5.200 . 5.700 4.773 4.580 5.260 . 0 0 "[ . 1 . 2]" 1
766 2 63 GLU QB 2 64 ASN HA 5.200 . 5.700 4.133 3.963 5.117 . 0 0 "[ . 1 . 2]" 1
767 2 63 GLU QG 2 64 ASN HA 4.500 . 5.000 3.476 3.199 3.635 . 0 0 "[ . 1 . 2]" 1
768 2 63 GLU HG3 2 64 ASN HA 4.500 . 5.000 4.771 3.292 5.076 0.076 20 0 "[ . 1 . 2]" 1
769 2 63 GLU HG2 2 64 ASN HA 4.500 . 5.000 3.752 3.490 5.032 0.032 16 0 "[ . 1 . 2]" 1
770 2 63 GLU H 2 64 ASN HA 5.200 . 5.700 5.131 4.369 5.261 . 0 0 "[ . 1 . 2]" 1
771 2 63 GLU QB 2 64 ASN QB 4.500 . 5.000 4.403 3.614 5.001 0.001 9 0 "[ . 1 . 2]" 1
772 2 63 GLU QG 2 64 ASN QB 4.500 . 5.000 4.548 2.603 5.020 0.020 1 0 "[ . 1 . 2]" 1
773 2 63 GLU QB 2 64 ASN H 3.800 . 4.300 2.730 2.490 3.473 . 0 0 "[ . 1 . 2]" 1
774 2 63 GLU QG 2 64 ASN H 4.500 . 5.000 3.470 2.079 3.658 . 0 0 "[ . 1 . 2]" 1
775 2 63 GLU H 2 64 ASN H 3.800 . 4.300 2.568 2.178 2.661 . 0 0 "[ . 1 . 2]" 1
776 2 63 GLU HA 2 65 GLY H 4.500 . 5.000 3.982 3.672 4.962 . 0 0 "[ . 1 . 2]" 1
777 2 63 GLU QB 2 65 GLY H 4.500 . 5.000 4.611 3.918 4.857 . 0 0 "[ . 1 . 2]" 1
778 2 63 GLU H 2 65 GLY H 4.500 . 5.000 4.146 3.894 4.585 . 0 0 "[ . 1 . 2]" 1
779 2 64 ASN H 2 64 ASN HB3 3.800 . 4.300 3.196 2.488 4.018 . 0 0 "[ . 1 . 2]" 1
780 2 64 ASN H 2 64 ASN HB2 3.800 . 4.300 3.090 2.557 3.643 . 0 0 "[ . 1 . 2]" 1
781 2 64 ASN QB 2 65 GLY H 4.500 . 5.000 3.150 2.546 3.918 . 0 0 "[ . 1 . 2]" 1
782 2 64 ASN H 2 65 GLY H 3.800 . 4.300 2.681 2.539 2.979 . 0 0 "[ . 1 . 2]" 1
783 2 64 ASN QB 2 66 ASP QB 4.500 . 5.000 3.159 2.351 5.007 0.007 9 0 "[ . 1 . 2]" 1
784 2 64 ASN QB 2 66 ASP H 4.500 . 5.000 2.835 1.977 4.189 . 0 0 "[ . 1 . 2]" 1
785 2 65 GLY QA 2 66 ASP H 3.800 . 4.300 2.876 2.681 2.923 . 0 0 "[ . 1 . 2]" 1
786 2 65 GLY H 2 66 ASP H 3.800 . 4.300 2.309 2.062 2.615 . 0 0 "[ . 1 . 2]" 1
787 2 66 ASP H 2 66 ASP HB3 3.800 . 4.300 2.550 2.475 2.852 . 0 0 "[ . 1 . 2]" 1
788 2 66 ASP H 2 66 ASP HB2 3.800 . 4.300 3.580 3.531 3.679 . 0 0 "[ . 1 . 2]" 1
789 2 66 ASP HA 2 67 GLY QA 4.500 . 5.000 4.221 3.841 4.343 . 0 0 "[ . 1 . 2]" 1
790 2 66 ASP H 2 67 GLY H 3.800 . 4.300 2.935 2.601 4.395 0.095 10 0 "[ . 1 . 2]" 1
791 2 66 ASP HA 2 68 GLU H 5.200 . 5.700 4.111 3.634 4.373 . 0 0 "[ . 1 . 2]" 1
792 2 66 ASP H 2 68 GLU H 4.500 . 5.000 4.228 3.612 5.006 0.006 3 0 "[ . 1 . 2]" 1
793 2 67 GLY QA 2 68 GLU HA 4.500 . 5.000 4.051 4.008 4.072 . 0 0 "[ . 1 . 2]" 1
794 2 67 GLY QA 2 68 GLU HB2 4.500 . 5.000 4.382 4.278 4.475 . 0 0 "[ . 1 . 2]" 1
795 2 67 GLY HA3 2 68 GLU HB2 5.200 . 5.700 4.620 4.495 4.729 . 0 0 "[ . 1 . 2]" 1
796 2 67 GLY HA2 2 68 GLU HB2 5.200 . 5.700 5.448 5.339 5.588 . 0 0 "[ . 1 . 2]" 1
797 2 67 GLY H 2 68 GLU HB2 5.200 . 5.700 5.181 4.371 5.545 . 0 0 "[ . 1 . 2]" 1
798 2 67 GLY HA3 2 68 GLU H 3.800 . 4.300 3.159 2.983 3.240 . 0 0 "[ . 1 . 2]" 1
799 2 67 GLY HA2 2 68 GLU H 3.800 . 4.300 3.346 3.302 3.499 . 0 0 "[ . 1 . 2]" 1
800 2 67 GLY H 2 68 GLU H 3.800 . 4.300 2.417 2.205 2.777 . 0 0 "[ . 1 . 2]" 1
801 2 68 GLU H 2 68 GLU HB3 3.800 . 4.300 2.685 2.588 2.740 . 0 0 "[ . 1 . 2]" 1
802 2 68 GLU H 2 68 GLU HB2 3.800 . 4.300 2.919 2.623 3.021 . 0 0 "[ . 1 . 2]" 1
803 2 68 GLU HA 2 68 GLU HG3 3.800 . 4.300 2.489 2.409 2.830 . 0 0 "[ . 1 . 2]" 1
804 2 68 GLU HA 2 69 VAL MG2 4.500 . 5.000 3.361 3.252 3.614 . 0 0 "[ . 1 . 2]" 1
805 2 68 GLU H 2 69 VAL MG2 4.500 . 5.000 4.674 4.498 4.852 . 0 0 "[ . 1 . 2]" 1
806 2 68 GLU HB3 2 69 VAL H 4.500 . 5.000 3.855 3.728 3.951 . 0 0 "[ . 1 . 2]" 1
807 2 68 GLU HG3 2 69 VAL H 4.500 . 5.000 2.738 2.117 2.934 . 0 0 "[ . 1 . 2]" 1
808 2 68 GLU H 2 69 VAL H 4.500 . 5.000 4.489 4.448 4.595 . 0 0 "[ . 1 . 2]" 1
809 2 69 VAL H 2 69 VAL MG1 4.500 . 5.000 3.799 3.744 3.827 . 0 0 "[ . 1 . 2]" 1
810 2 69 VAL H 2 69 VAL MG2 4.500 . 5.000 2.444 2.306 2.697 . 0 0 "[ . 1 . 2]" 1
811 2 69 VAL MG1 2 70 ASP QB 4.500 . 5.000 3.974 3.766 4.100 . 0 0 "[ . 1 . 2]" 1
812 2 69 VAL HA 2 70 ASP H 3.800 . 4.300 2.107 2.070 2.172 . 0 0 "[ . 1 . 2]" 1
813 2 69 VAL MG1 2 70 ASP H 3.800 . 4.300 2.461 2.359 2.627 . 0 0 "[ . 1 . 2]" 1
814 2 69 VAL MG2 2 70 ASP H 4.500 . 5.000 3.954 3.776 4.010 . 0 0 "[ . 1 . 2]" 1
815 2 69 VAL MG1 2 73 GLU H 4.500 . 5.000 4.190 3.930 4.677 . 0 0 "[ . 1 . 2]" 1
816 2 69 VAL MG1 2 74 TYR HA 3.800 . 4.300 3.530 3.226 3.867 . 0 0 "[ . 1 . 2]" 1
817 2 69 VAL HB 2 74 TYR QB 4.500 . 5.000 4.560 4.093 4.882 . 0 0 "[ . 1 . 2]" 1
818 2 69 VAL MG1 2 74 TYR QB 3.800 . 4.300 2.493 2.039 2.879 . 0 0 "[ . 1 . 2]" 1
819 2 69 VAL MG1 2 74 TYR HD1 4.500 . 5.000 3.454 3.124 4.011 . 0 0 "[ . 1 . 2]" 1
820 2 69 VAL MG1 2 74 TYR H 4.500 . 5.000 3.199 2.830 3.566 . 0 0 "[ . 1 . 2]" 1
821 2 70 ASP QB 2 71 PHE H 4.500 . 5.000 3.363 2.679 3.749 . 0 0 "[ . 1 . 2]" 1
822 2 70 ASP H 2 73 GLU H 4.500 . 5.000 3.827 3.527 4.267 . 0 0 "[ . 1 . 2]" 1
823 2 71 PHE H 2 71 PHE HB3 3.800 . 4.300 2.592 2.510 2.641 . 0 0 "[ . 1 . 2]" 1
824 2 71 PHE H 2 71 PHE HD1 4.500 . 5.000 4.558 4.475 4.623 . 0 0 "[ . 1 . 2]" 1
825 2 71 PHE HB2 2 71 PHE HE1 4.500 . 5.000 4.797 4.749 4.908 . 0 0 "[ . 1 . 2]" 1
826 2 71 PHE HB3 2 72 GLN H 4.500 . 5.000 2.671 2.551 2.726 . 0 0 "[ . 1 . 2]" 1
827 2 71 PHE H 2 72 GLN H 4.500 . 5.000 2.807 2.739 2.894 . 0 0 "[ . 1 . 2]" 1
828 2 71 PHE HA 2 73 GLU H 4.500 . 5.000 4.256 4.153 4.400 . 0 0 "[ . 1 . 2]" 1
829 2 71 PHE HA 2 74 TYR QB 3.800 . 4.300 2.274 2.180 2.447 . 0 0 "[ . 1 . 2]" 1
830 2 71 PHE HA 2 74 TYR HB3 4.500 . 5.000 2.329 2.250 2.496 . 0 0 "[ . 1 . 2]" 1
831 2 71 PHE HA 2 74 TYR HB2 4.500 . 5.000 3.199 2.764 3.691 . 0 0 "[ . 1 . 2]" 1
832 2 71 PHE HD1 2 74 TYR HD2 4.500 . 5.000 3.329 2.790 3.681 . 0 0 "[ . 1 . 2]" 1
833 2 71 PHE HD1 2 74 TYR HE2 4.500 . 5.000 4.929 4.640 5.014 0.014 15 0 "[ . 1 . 2]" 1
834 2 71 PHE HE1 2 74 TYR HE2 4.500 . 5.000 3.753 3.152 4.804 . 0 0 "[ . 1 . 2]" 1
835 2 71 PHE HD2 2 75 VAL QG 4.500 . 5.000 2.998 2.594 3.935 . 0 0 "[ . 1 . 2]" 1
836 2 71 PHE HE1 2 75 VAL QG 4.500 . 5.000 3.267 2.366 4.477 . 0 0 "[ . 1 . 2]" 1
837 2 71 PHE HE2 2 75 VAL QG 4.500 . 5.000 2.434 2.178 3.115 . 0 0 "[ . 1 . 2]" 1
838 2 71 PHE HE2 2 75 VAL MG1 4.500 . 5.000 3.042 2.205 4.408 . 0 0 "[ . 1 . 2]" 1
839 2 71 PHE HE2 2 75 VAL MG2 4.500 . 5.000 3.414 2.189 4.330 . 0 0 "[ . 1 . 2]" 1
840 2 72 GLN HA 2 72 GLN HG3 3.800 . 4.300 2.629 2.414 3.067 . 0 0 "[ . 1 . 2]" 1
841 2 72 GLN HA 2 72 GLN HG2 3.800 . 4.300 2.773 2.433 2.978 . 0 0 "[ . 1 . 2]" 1
842 2 72 GLN H 2 73 GLU H 3.800 . 4.300 2.736 2.692 2.764 . 0 0 "[ . 1 . 2]" 1
843 2 72 GLN HA 2 75 VAL QG 4.500 . 5.000 2.466 2.072 3.229 . 0 0 "[ . 1 . 2]" 1
844 2 72 GLN QB 2 75 VAL QG 4.500 . 5.000 4.006 3.514 4.695 . 0 0 "[ . 1 . 2]" 1
845 2 72 GLN QG 2 75 VAL QG 4.500 . 5.000 3.552 3.056 4.338 . 0 0 "[ . 1 . 2]" 1
846 2 73 GLU H 2 74 TYR QB 5.200 . 5.700 4.259 4.168 4.370 . 0 0 "[ . 1 . 2]" 1
847 2 73 GLU HA 2 76 VAL QG 3.800 . 4.300 3.298 2.501 3.755 . 0 0 "[ . 1 . 2]" 1
848 2 73 GLU HA 2 77 LEU H 5.200 . 5.700 4.757 4.341 5.202 . 0 0 "[ . 1 . 2]" 1
849 2 74 TYR HE2 2 75 VAL QG 4.500 . 5.000 4.178 3.674 5.011 0.011 20 0 "[ . 1 . 2]" 1
850 2 74 TYR H 2 75 VAL H 4.500 . 5.000 2.793 2.703 2.846 . 0 0 "[ . 1 . 2]" 1
851 2 74 TYR HE2 2 78 VAL QG 4.500 . 5.000 2.834 2.174 3.812 . 0 0 "[ . 1 . 2]" 1
852 2 75 VAL H 2 75 VAL HB 3.800 . 4.300 3.151 2.380 3.624 . 0 0 "[ . 1 . 2]" 1
853 2 75 VAL H 2 75 VAL QG 3.800 . 4.300 1.996 1.782 2.454 0.018 7 0 "[ . 1 . 2]" 1
854 2 75 VAL H 2 75 VAL MG1 4.500 . 5.000 2.716 2.001 3.763 . 0 0 "[ . 1 . 2]" 1
855 2 75 VAL H 2 75 VAL MG2 4.500 . 5.000 2.175 1.916 3.726 . 0 0 "[ . 1 . 2]" 1
856 2 75 VAL QG 2 76 VAL HA 4.500 . 5.000 3.275 3.092 3.583 . 0 0 "[ . 1 . 2]" 1
857 2 75 VAL QG 2 76 VAL HB 4.500 . 5.000 4.224 3.638 4.915 . 0 0 "[ . 1 . 2]" 1
858 2 75 VAL HB 2 76 VAL QG 5.200 . 5.700 3.979 3.252 4.628 . 0 0 "[ . 1 . 2]" 1
859 2 75 VAL QG 2 76 VAL QG 3.800 . 4.300 2.612 2.138 3.461 . 0 0 "[ . 1 . 2]" 1
860 2 75 VAL QG 2 76 VAL H 4.500 . 5.000 2.443 1.827 3.274 . 0 0 "[ . 1 . 2]" 1
861 2 75 VAL H 2 76 VAL H 4.500 . 5.000 2.763 2.598 2.884 . 0 0 "[ . 1 . 2]" 1
862 2 75 VAL QG 2 77 LEU H 4.500 . 5.000 4.362 4.003 4.731 . 0 0 "[ . 1 . 2]" 1
863 2 75 VAL HA 2 78 VAL HB 4.500 . 5.000 3.192 2.280 5.002 0.002 20 0 "[ . 1 . 2]" 1
864 2 75 VAL QG 2 78 VAL HB 5.200 . 5.700 4.251 3.373 5.209 . 0 0 "[ . 1 . 2]" 1
865 2 75 VAL HA 2 78 VAL QG 4.500 . 5.000 2.415 2.001 3.087 . 0 0 "[ . 1 . 2]" 1
866 2 75 VAL QG 2 78 VAL QG 4.500 . 5.000 3.203 2.535 3.695 . 0 0 "[ . 1 . 2]" 1
867 2 75 VAL HA 2 78 VAL MG1 4.500 . 5.000 2.876 2.005 4.216 . 0 0 "[ . 1 . 2]" 1
868 2 75 VAL HA 2 78 VAL MG2 4.500 . 5.000 3.766 2.146 4.607 . 0 0 "[ . 1 . 2]" 1
869 2 76 VAL H 2 76 VAL QG 3.800 . 4.300 2.143 1.799 2.246 0.001 16 0 "[ . 1 . 2]" 1
870 2 76 VAL H 2 76 VAL MG1 4.500 . 5.000 3.592 2.257 3.748 . 0 0 "[ . 1 . 2]" 1
871 2 76 VAL H 2 76 VAL MG2 4.500 . 5.000 2.166 1.885 2.264 . 0 0 "[ . 1 . 2]" 1
872 2 76 VAL H 2 77 LEU HA 5.200 . 5.700 5.314 5.201 5.390 . 0 0 "[ . 1 . 2]" 1
873 2 76 VAL HB 2 77 LEU H 4.500 . 5.000 2.658 2.463 3.725 . 0 0 "[ . 1 . 2]" 1
874 2 76 VAL QG 2 77 LEU H 4.500 . 5.000 2.982 1.952 3.169 . 0 0 "[ . 1 . 2]" 1
875 2 76 VAL H 2 77 LEU H 4.500 . 5.000 2.715 2.577 2.847 . 0 0 "[ . 1 . 2]" 1
876 2 77 LEU HA 2 77 LEU QD 3.800 . 4.300 2.116 1.972 2.155 . 0 0 "[ . 1 . 2]" 1
877 2 77 LEU H 2 77 LEU QD 4.500 . 5.000 3.553 1.796 3.734 0.004 19 0 "[ . 1 . 2]" 1
878 2 77 LEU HA 2 77 LEU MD1 3.800 . 4.300 2.235 2.071 3.750 . 0 0 "[ . 1 . 2]" 1
879 2 77 LEU H 2 77 LEU MD1 4.500 . 5.000 3.998 3.802 4.153 . 0 0 "[ . 1 . 2]" 1
880 2 77 LEU HA 2 77 LEU MD2 3.800 . 4.300 3.577 2.000 3.842 . 0 0 "[ . 1 . 2]" 1
881 2 77 LEU H 2 77 LEU MD2 4.500 . 5.000 4.100 1.799 4.407 0.001 19 0 "[ . 1 . 2]" 1
882 2 77 LEU H 2 77 LEU HG 4.500 . 5.000 4.325 2.416 4.607 . 0 0 "[ . 1 . 2]" 1
883 2 77 LEU HA 2 78 VAL HA 5.200 . 5.700 4.795 4.689 4.817 . 0 0 "[ . 1 . 2]" 1
884 2 77 LEU HA 2 78 VAL QG 5.200 . 5.700 4.837 4.407 4.921 . 0 0 "[ . 1 . 2]" 1
885 2 77 LEU H 2 78 VAL QG 5.200 . 5.700 4.225 3.643 4.365 . 0 0 "[ . 1 . 2]" 1
886 2 77 LEU H 2 78 VAL H 4.500 . 5.000 2.716 2.610 2.812 . 0 0 "[ . 1 . 2]" 1
887 2 77 LEU QD 2 81 LEU QD 4.500 . 5.000 2.547 1.876 3.612 . 0 0 "[ . 1 . 2]" 1
888 2 78 VAL H 2 78 VAL MG1 4.500 . 5.000 2.954 2.190 3.772 . 0 0 "[ . 1 . 2]" 1
889 2 78 VAL H 2 78 VAL MG2 4.500 . 5.000 3.139 1.943 3.733 . 0 0 "[ . 1 . 2]" 1
890 2 78 VAL H 2 79 ALA H 4.500 . 5.000 2.734 2.539 2.797 . 0 0 "[ . 1 . 2]" 1
891 2 78 VAL HA 2 81 LEU HA 5.200 . 5.700 5.240 4.655 5.676 . 0 0 "[ . 1 . 2]" 1
892 2 78 VAL HA 2 81 LEU HB3 4.500 . 5.000 4.069 2.231 4.528 . 0 0 "[ . 1 . 2]" 1
893 2 78 VAL QG 2 81 LEU HB3 4.500 . 5.000 4.269 3.603 4.733 . 0 0 "[ . 1 . 2]" 1
894 2 78 VAL HA 2 81 LEU HB2 4.500 . 5.000 2.657 2.376 3.310 . 0 0 "[ . 1 . 2]" 1
895 2 78 VAL QG 2 81 LEU HB2 3.800 . 4.300 3.294 2.652 4.304 0.004 13 0 "[ . 1 . 2]" 1
896 2 78 VAL MG1 2 81 LEU HB2 4.500 . 5.000 4.396 3.299 4.942 . 0 0 "[ . 1 . 2]" 1
897 2 78 VAL MG2 2 81 LEU HB2 4.500 . 5.000 3.641 2.673 5.029 0.029 20 0 "[ . 1 . 2]" 1
898 2 78 VAL HA 2 81 LEU QD 4.500 . 5.000 2.809 2.191 4.341 . 0 0 "[ . 1 . 2]" 1
899 2 78 VAL HA 2 81 LEU MD1 5.200 . 5.700 3.146 2.201 5.356 . 0 0 "[ . 1 . 2]" 1
900 2 78 VAL HA 2 81 LEU MD2 5.200 . 5.700 4.187 2.733 4.910 . 0 0 "[ . 1 . 2]" 1
901 2 78 VAL HA 2 82 THR MG 4.500 . 5.000 4.500 4.112 4.725 . 0 0 "[ . 1 . 2]" 1
902 2 78 VAL QG 2 82 THR MG 4.500 . 5.000 3.193 2.902 3.557 . 0 0 "[ . 1 . 2]" 1
903 2 78 VAL MG1 2 82 THR MG 4.500 . 5.000 3.527 2.921 4.785 . 0 0 "[ . 1 . 2]" 1
904 2 78 VAL MG2 2 82 THR MG 4.500 . 5.000 4.143 3.610 5.058 0.058 8 0 "[ . 1 . 2]" 1
905 2 78 VAL QG 2 82 THR H 4.500 . 5.000 3.593 3.396 4.588 . 0 0 "[ . 1 . 2]" 1
906 2 79 ALA MB 2 80 ALA MB 4.500 . 5.000 3.736 3.678 3.810 . 0 0 "[ . 1 . 2]" 1
907 2 79 ALA MB 2 80 ALA H 4.500 . 5.000 2.651 2.570 2.727 . 0 0 "[ . 1 . 2]" 1
908 2 79 ALA H 2 80 ALA H 4.500 . 5.000 2.726 2.629 2.830 . 0 0 "[ . 1 . 2]" 1
909 2 79 ALA HA 2 82 THR HB 4.500 . 5.000 4.289 4.144 5.014 0.014 20 0 "[ . 1 . 2]" 1
910 2 80 ALA MB 2 81 LEU H 4.500 . 5.000 2.553 2.476 2.612 . 0 0 "[ . 1 . 2]" 1
911 2 80 ALA HA 2 83 VAL HB 5.200 . 5.700 3.242 2.909 3.713 . 0 0 "[ . 1 . 2]" 1
912 2 80 ALA MB 2 83 VAL HB 5.200 . 5.700 4.333 4.064 4.720 . 0 0 "[ . 1 . 2]" 1
913 2 80 ALA HA 2 83 VAL QG 3.800 . 4.300 3.108 2.672 3.370 . 0 0 "[ . 1 . 2]" 1
914 2 80 ALA MB 2 83 VAL QG 4.500 . 5.000 4.145 3.940 4.379 . 0 0 "[ . 1 . 2]" 1
915 2 80 ALA HA 2 83 VAL MG1 5.200 . 5.700 4.492 4.229 4.897 . 0 0 "[ . 1 . 2]" 1
916 2 80 ALA HA 2 83 VAL MG2 5.200 . 5.700 3.173 2.688 3.458 . 0 0 "[ . 1 . 2]" 1
917 2 81 LEU HA 2 81 LEU QD 3.800 . 4.300 2.089 1.945 2.796 . 0 0 "[ . 1 . 2]" 1
918 2 81 LEU H 2 81 LEU QD 4.500 . 5.000 2.690 1.782 3.581 0.018 11 0 "[ . 1 . 2]" 1
919 2 81 LEU HA 2 81 LEU MD1 4.500 . 5.000 3.286 2.123 3.771 . 0 0 "[ . 1 . 2]" 1
920 2 81 LEU HA 2 81 LEU MD2 4.500 . 5.000 2.303 2.026 3.797 . 0 0 "[ . 1 . 2]" 1
921 2 81 LEU H 2 81 LEU HG 4.500 . 5.000 2.680 2.027 4.591 . 0 0 "[ . 1 . 2]" 1
922 2 81 LEU HB3 2 82 THR H 4.500 . 5.000 3.599 2.573 3.780 . 0 0 "[ . 1 . 2]" 1
923 2 81 LEU H 2 83 VAL QG 4.500 . 5.000 4.984 4.764 5.025 0.025 4 0 "[ . 1 . 2]" 1
924 2 81 LEU HA 2 84 ALA MB 3.800 . 4.300 2.401 2.235 2.594 . 0 0 "[ . 1 . 2]" 1
925 2 81 LEU HB3 2 84 ALA MB 5.200 . 5.700 3.986 3.733 4.808 . 0 0 "[ . 1 . 2]" 1
926 2 81 LEU QD 2 84 ALA MB 3.800 . 4.300 3.022 2.185 3.964 . 0 0 "[ . 1 . 2]" 1
927 2 81 LEU MD1 2 84 ALA MB 4.500 . 5.000 4.290 2.216 5.006 0.006 15 0 "[ . 1 . 2]" 1
928 2 81 LEU MD2 2 84 ALA MB 4.500 . 5.000 3.368 2.923 4.514 . 0 0 "[ . 1 . 2]" 1
929 2 81 LEU HA 2 84 ALA H 4.500 . 5.000 3.198 3.071 3.332 . 0 0 "[ . 1 . 2]" 1
930 2 82 THR H 2 82 THR MG 4.500 . 5.000 1.819 1.779 2.025 0.021 6 0 "[ . 1 . 2]" 1
931 2 82 THR MG 2 83 VAL HA 4.500 . 5.000 3.629 3.441 5.082 0.082 20 0 "[ . 1 . 2]" 1
932 2 82 THR HB 2 83 VAL QG 4.500 . 5.000 4.795 4.274 4.922 . 0 0 "[ . 1 . 2]" 1
933 2 82 THR MG 2 83 VAL QG 4.500 . 5.000 2.369 2.169 3.880 . 0 0 "[ . 1 . 2]" 1
934 2 82 THR H 2 83 VAL QG 4.500 . 5.000 4.136 4.080 4.183 . 0 0 "[ . 1 . 2]" 1
935 2 82 THR HB 2 83 VAL H 4.500 . 5.000 4.025 3.802 4.099 . 0 0 "[ . 1 . 2]" 1
936 2 83 VAL QG 2 84 ALA HA 4.500 . 5.000 3.401 3.317 3.616 . 0 0 "[ . 1 . 2]" 1
937 2 83 VAL HB 2 84 ALA MB 3.800 . 4.300 3.947 3.876 4.036 . 0 0 "[ . 1 . 2]" 1
938 2 83 VAL QG 2 84 ALA MB 4.500 . 5.000 3.867 3.802 3.997 . 0 0 "[ . 1 . 2]" 1
939 2 83 VAL MG1 2 84 ALA MB 4.500 . 5.000 4.036 3.948 4.219 . 0 0 "[ . 1 . 2]" 1
940 2 83 VAL MG2 2 84 ALA MB 4.500 . 5.000 4.958 4.885 5.004 0.004 12 0 "[ . 1 . 2]" 1
941 2 83 VAL HB 2 84 ALA H 4.500 . 5.000 2.568 2.477 2.640 . 0 0 "[ . 1 . 2]" 1
942 2 83 VAL QG 2 84 ALA H 3.800 . 4.300 3.170 3.126 3.262 . 0 0 "[ . 1 . 2]" 1
943 2 83 VAL MG1 2 84 ALA H 4.500 . 5.000 3.378 3.303 3.538 . 0 0 "[ . 1 . 2]" 1
944 2 83 VAL MG2 2 84 ALA H 4.500 . 5.000 3.844 3.775 3.898 . 0 0 "[ . 1 . 2]" 1
945 2 83 VAL H 2 85 CYS H 4.500 . 5.000 3.963 3.864 4.040 . 0 0 "[ . 1 . 2]" 1
946 2 83 VAL QG 2 87 ASN QB 5.200 . 5.700 5.136 4.695 5.706 0.006 5 0 "[ . 1 . 2]" 1
947 2 84 ALA MB 2 85 CYS QB 4.500 . 5.000 4.233 3.951 4.549 . 0 0 "[ . 1 . 2]" 1
948 2 84 ALA MB 2 85 CYS H 4.500 . 5.000 2.703 2.664 2.745 . 0 0 "[ . 1 . 2]" 1
949 2 84 ALA H 2 85 CYS H 4.500 . 5.000 2.609 2.561 2.660 . 0 0 "[ . 1 . 2]" 1
950 2 84 ALA HA 2 87 ASN QB 3.800 . 4.300 3.312 3.004 3.690 . 0 0 "[ . 1 . 2]" 1
951 2 84 ALA HA 2 87 ASN HB3 4.500 . 5.000 4.324 3.718 5.001 0.001 13 0 "[ . 1 . 2]" 1
952 2 84 ALA MB 2 87 ASN HB3 4.500 . 5.000 4.480 3.999 5.011 0.011 3 0 "[ . 1 . 2]" 1
953 2 84 ALA HA 2 87 ASN HB2 4.500 . 5.000 3.449 3.135 3.800 . 0 0 "[ . 1 . 2]" 1
954 2 84 ALA MB 2 87 ASN HB2 4.500 . 5.000 4.097 3.739 4.607 . 0 0 "[ . 1 . 2]" 1
955 2 84 ALA MB 2 88 PHE QB 5.200 . 5.700 5.628 5.381 5.717 0.017 9 0 "[ . 1 . 2]" 1
956 2 86 ASN QB 2 87 ASN H 4.500 . 5.000 2.658 2.572 2.721 . 0 0 "[ . 1 . 2]" 1
957 2 86 ASN HA 2 89 PHE HB3 4.500 . 5.000 3.343 2.506 4.776 . 0 0 "[ . 1 . 2]" 1
958 2 86 ASN HA 2 89 PHE HB2 4.500 . 5.000 2.896 2.503 3.167 . 0 0 "[ . 1 . 2]" 1
959 2 86 ASN HA 2 89 PHE H 4.500 . 5.000 3.117 2.958 3.398 . 0 0 "[ . 1 . 2]" 1
960 2 87 ASN QB 2 88 PHE H 4.500 . 5.000 2.594 2.482 2.686 . 0 0 "[ . 1 . 2]" 1
961 2 87 ASN H 2 88 PHE H 4.500 . 5.000 2.749 2.698 2.820 . 0 0 "[ . 1 . 2]" 1
962 2 88 PHE HA 2 88 PHE HE1 4.500 . 5.000 4.845 4.763 5.417 0.417 18 0 "[ . 1 . 2]" 1
963 2 89 PHE HA 2 89 PHE HD1 4.500 . 5.000 2.932 2.798 3.864 . 0 0 "[ . 1 . 2]" 1
964 2 89 PHE QB 2 90 TRP HD1 3.800 . 4.300 3.404 2.618 3.674 . 0 0 "[ . 1 . 2]" 1
965 2 89 PHE HB3 2 90 TRP HD1 4.500 . 5.000 3.759 2.639 5.022 0.022 7 0 "[ . 1 . 2]" 1
966 2 89 PHE HB2 2 90 TRP HD1 4.500 . 5.000 4.626 2.842 5.041 0.041 4 0 "[ . 1 . 2]" 1
967 2 90 TRP HA 2 90 TRP HD1 3.800 . 4.300 3.919 2.267 4.312 0.012 20 0 "[ . 1 . 2]" 1
968 2 90 TRP HA 2 90 TRP HE3 4.500 . 5.000 3.355 2.845 5.029 0.029 19 0 "[ . 1 . 2]" 1
969 2 90 TRP QB 2 91 GLU H 4.500 . 5.000 2.932 2.711 3.940 . 0 0 "[ . 1 . 2]" 1
970 2 91 GLU HA 2 91 GLU HG3 3.800 . 4.300 2.769 2.482 3.683 . 0 0 "[ . 1 . 2]" 1
971 2 91 GLU HA 2 91 GLU HG2 3.800 . 4.300 2.948 2.407 3.704 . 0 0 "[ . 1 . 2]" 1
972 2 91 GLU HA 2 92 ASN HA 4.500 . 5.000 4.769 4.601 4.877 . 0 0 "[ . 1 . 2]" 1
973 2 92 ASN HA 2 93 SER HA 4.500 . 5.000 4.590 4.358 4.876 . 0 0 "[ . 1 . 2]" 1
974 2 92 ASN QB 2 93 SER HA 4.500 . 5.000 4.414 3.929 5.027 0.027 9 0 "[ . 1 . 2]" 1
975 2 3 GLU HB3 2 6 THR HB 4.500 . 5.000 4.134 3.981 4.368 . 0 0 "[ . 1 . 2]" 1
976 2 3 GLU HB2 2 6 THR HB 5.200 . 5.700 5.275 5.020 5.482 . 0 0 "[ . 1 . 2]" 1
977 2 3 GLU HB3 2 7 ALA MB 4.500 . 5.000 4.210 4.026 4.462 . 0 0 "[ . 1 . 2]" 1
978 2 3 GLU HB2 2 7 ALA H 5.200 . 5.700 5.438 5.200 5.565 . 0 0 "[ . 1 . 2]" 1
979 2 4 LEU HB3 2 5 GLU HB2 4.500 . 5.000 4.380 4.216 4.912 . 0 0 "[ . 1 . 2]" 1
980 2 5 GLU H 2 5 GLU HB2 3.800 . 4.300 2.484 2.460 2.496 . 0 0 "[ . 1 . 2]" 1
981 2 5 GLU HB2 2 6 THR H 4.500 . 5.000 3.735 2.632 3.847 . 0 0 "[ . 1 . 2]" 1
982 2 14 VAL HA 2 18 HIS QB 5.200 . 5.700 5.163 4.368 5.482 . 0 0 "[ . 1 . 2]" 1
983 2 17 ALA MB 2 18 HIS QB 4.500 . 5.000 4.075 3.641 4.188 . 0 0 "[ . 1 . 2]" 1
984 2 18 HIS QB 2 19 SER H 4.500 . 5.000 2.648 2.379 2.945 . 0 0 "[ . 1 . 2]" 1
985 2 18 HIS QB 2 21 LYS QE 4.500 . 5.000 3.310 2.201 4.752 . 0 0 "[ . 1 . 2]" 1
986 2 18 HIS QB 2 28 LEU QD 4.500 . 5.000 4.011 3.501 4.857 . 0 0 "[ . 1 . 2]" 1
987 2 18 HIS QB 2 36 LEU QD 3.800 . 4.300 1.907 1.788 2.059 0.012 9 0 "[ . 1 . 2]" 1
988 2 18 HIS QB 2 36 LEU HG 4.500 . 5.000 3.232 2.891 4.116 . 0 0 "[ . 1 . 2]" 1
989 2 21 LYS HA 2 22 GLU QG 5.200 . 5.700 4.101 3.841 4.312 . 0 0 "[ . 1 . 2]" 1
990 2 22 GLU H 2 22 GLU QG 3.800 . 4.300 3.005 2.733 3.165 . 0 0 "[ . 1 . 2]" 1
991 2 27 LYS QE 2 68 GLU HA 5.200 . 5.700 5.035 4.370 5.540 . 0 0 "[ . 1 . 2]" 1
992 2 27 LYS QE 2 68 GLU HB3 4.500 . 5.000 3.221 2.709 3.859 . 0 0 "[ . 1 . 2]" 1
993 2 27 LYS QE 2 68 GLU HG2 3.800 . 4.300 2.653 2.009 3.416 . 0 0 "[ . 1 . 2]" 1
994 2 27 LYS QE 2 70 ASP HA 3.800 . 4.300 2.850 2.206 3.712 . 0 0 "[ . 1 . 2]" 1
995 2 27 LYS QE 2 70 ASP QB 4.500 . 5.000 3.076 2.194 4.646 . 0 0 "[ . 1 . 2]" 1
996 2 34 LYS HA 2 34 LYS HD3 3.800 . 4.300 2.587 2.406 2.719 . 0 0 "[ . 1 . 2]" 1
997 2 34 LYS HB3 2 34 LYS HD3 3.800 . 4.300 3.637 3.588 3.671 . 0 0 "[ . 1 . 2]" 1
998 2 34 LYS H 2 34 LYS HD3 4.500 . 5.000 4.683 4.535 4.793 . 0 0 "[ . 1 . 2]" 1
999 2 34 LYS HD2 2 35 GLU HG2 4.500 . 5.000 5.057 5.048 5.070 0.070 4 0 "[ . 1 . 2]" 1
1000 2 34 LYS HD2 2 38 GLN HB3 3.800 . 4.300 3.367 3.178 3.508 . 0 0 "[ . 1 . 2]" 1
1001 2 34 LYS HD2 2 38 GLN HB2 4.500 . 5.000 2.217 2.135 2.259 . 0 0 "[ . 1 . 2]" 1
1002 2 34 LYS HD2 2 38 GLN HG3 5.200 . 5.700 4.381 4.240 4.491 . 0 0 "[ . 1 . 2]" 1
1003 2 34 LYS HD2 2 38 GLN HG2 4.500 . 5.000 5.034 5.012 5.047 0.047 3 0 "[ . 1 . 2]" 1
1004 2 34 LYS HD3 2 54 VAL HA 5.200 . 5.700 4.730 4.437 4.980 . 0 0 "[ . 1 . 2]" 1
1005 2 34 LYS HD3 2 54 VAL HB 4.500 . 5.000 3.923 2.743 4.261 . 0 0 "[ . 1 . 2]" 1
1006 2 46 ASP QB 2 49 LYS HB2 5.200 . 5.700 4.443 3.737 5.712 0.012 18 0 "[ . 1 . 2]" 1
1007 2 49 LYS HB3 2 49 LYS HD3 3.800 . 4.300 3.055 2.534 3.546 . 0 0 "[ . 1 . 2]" 1
1008 2 49 LYS HB3 2 49 LYS QE 4.500 . 5.000 3.577 2.194 4.176 . 0 0 "[ . 1 . 2]" 1
1009 2 49 LYS HB2 2 50 ASP QB 5.200 . 5.700 3.778 3.409 4.241 . 0 0 "[ . 1 . 2]" 1
1010 2 90 TRP HB2 2 90 TRP HD1 3.800 . 4.300 2.878 2.590 3.816 . 0 0 "[ . 1 . 2]" 1
1011 2 90 TRP HB3 2 91 GLU H 4.500 . 5.000 3.780 3.642 4.501 . 0 0 "[ . 1 . 2]" 1
1012 1 2 SER HA 1 3 GLU HA 4.500 . 5.000 4.344 4.303 4.771 . 0 0 "[ . 1 . 2]" 1
1013 1 2 SER HA 1 3 GLU HG3 4.500 . 5.000 3.890 3.750 4.606 . 0 0 "[ . 1 . 2]" 1
1014 1 2 SER HA 1 3 GLU HG2 4.500 . 5.000 4.904 4.824 5.105 0.105 5 0 "[ . 1 . 2]" 1
1015 1 2 SER HA 1 4 LEU H 4.500 . 5.000 4.147 3.480 4.361 . 0 0 "[ . 1 . 2]" 1
1016 1 2 SER QB 1 4 LEU H 4.500 . 5.000 3.088 2.633 4.851 . 0 0 "[ . 1 . 2]" 1
1017 1 2 SER HA 1 5 GLU H 4.500 . 5.000 4.708 3.636 4.961 . 0 0 "[ . 1 . 2]" 1
1018 1 3 GLU HA 1 3 GLU HG2 3.800 . 4.300 2.463 2.422 2.501 . 0 0 "[ . 1 . 2]" 1
1019 1 3 GLU HB3 1 4 LEU H 4.500 . 5.000 3.756 3.662 3.993 . 0 0 "[ . 1 . 2]" 1
1020 1 3 GLU HB2 1 4 LEU H 4.500 . 5.000 2.692 2.554 2.769 . 0 0 "[ . 1 . 2]" 1
1021 1 3 GLU HA 1 6 THR HB 3.800 . 4.300 2.933 2.744 3.055 . 0 0 "[ . 1 . 2]" 1
1022 1 3 GLU QB 1 6 THR HB 4.500 . 5.000 3.993 3.835 4.205 . 0 0 "[ . 1 . 2]" 1
1023 1 3 GLU HG2 1 6 THR HB 5.200 . 5.700 4.920 4.721 5.068 . 0 0 "[ . 1 . 2]" 1
1024 1 3 GLU HA 1 7 ALA MB 5.200 . 5.700 4.848 4.679 5.026 . 0 0 "[ . 1 . 2]" 1
1025 1 3 GLU QB 1 7 ALA MB 4.500 . 5.000 3.948 3.782 4.160 . 0 0 "[ . 1 . 2]" 1
1026 1 3 GLU HA 1 7 ALA H 4.500 . 5.000 4.286 4.157 4.351 . 0 0 "[ . 1 . 2]" 1
1027 1 3 GLU QB 1 7 ALA H 4.500 . 5.000 4.473 4.378 4.553 . 0 0 "[ . 1 . 2]" 1
1028 1 4 LEU H 1 4 LEU HB3 3.800 . 4.300 2.588 2.531 2.686 . 0 0 "[ . 1 . 2]" 1
1029 1 4 LEU HA 1 4 LEU QD 3.800 . 4.300 2.267 2.120 3.021 . 0 0 "[ . 1 . 2]" 1
1030 1 4 LEU H 1 4 LEU QD 4.500 . 5.000 3.663 3.611 3.739 . 0 0 "[ . 1 . 2]" 1
1031 1 4 LEU HA 1 4 LEU MD1 4.500 . 5.000 2.364 2.130 3.605 . 0 0 "[ . 1 . 2]" 1
1032 1 4 LEU HA 1 4 LEU MD2 4.500 . 5.000 3.735 3.080 3.842 . 0 0 "[ . 1 . 2]" 1
1033 1 4 LEU HB3 1 5 GLU QB 4.500 . 5.000 4.159 4.011 4.665 . 0 0 "[ . 1 . 2]" 1
1034 1 4 LEU HB3 1 5 GLU H 4.500 . 5.000 2.636 2.525 2.706 . 0 0 "[ . 1 . 2]" 1
1035 1 4 LEU H 1 5 GLU H 4.500 . 5.000 2.793 2.713 2.861 . 0 0 "[ . 1 . 2]" 1
1036 1 4 LEU HA 1 7 ALA MB 3.800 . 4.300 2.242 2.137 2.500 . 0 0 "[ . 1 . 2]" 1
1037 1 4 LEU QD 1 7 ALA MB 3.800 . 4.300 2.497 2.149 3.391 . 0 0 "[ . 1 . 2]" 1
1038 1 4 LEU HG 1 7 ALA MB 5.200 . 5.700 3.549 2.854 3.998 . 0 0 "[ . 1 . 2]" 1
1039 1 4 LEU HA 1 7 ALA H 4.500 . 5.000 3.087 2.971 3.261 . 0 0 "[ . 1 . 2]" 1
1040 1 4 LEU QD 1 8 MET QG 4.500 . 5.000 2.949 2.159 3.707 . 0 0 "[ . 1 . 2]" 1
1041 1 4 LEU HG 1 8 MET QG 4.500 . 5.000 2.973 2.608 4.573 . 0 0 "[ . 1 . 2]" 1
1042 1 5 GLU H 1 5 GLU QG 4.500 . 5.000 3.874 2.229 4.056 . 0 0 "[ . 1 . 2]" 1
1043 1 5 GLU HA 1 5 GLU HG3 3.800 . 4.300 2.532 2.474 3.029 . 0 0 "[ . 1 . 2]" 1
1044 1 5 GLU HA 1 5 GLU HG2 3.800 . 4.300 2.944 2.431 3.703 . 0 0 "[ . 1 . 2]" 1
1045 1 5 GLU QB 1 6 THR H 4.500 . 5.000 2.526 2.494 2.583 . 0 0 "[ . 1 . 2]" 1
1046 1 5 GLU HA 1 8 MET ME 3.800 . 4.300 2.398 2.182 4.276 . 0 0 "[ . 1 . 2]" 1
1047 1 5 GLU QG 1 8 MET ME 3.800 . 4.300 2.975 2.195 4.308 0.008 17 0 "[ . 1 . 2]" 1
1048 1 6 THR H 1 6 THR HB 3.800 . 4.300 2.558 2.550 2.575 . 0 0 "[ . 1 . 2]" 1
1049 1 6 THR HA 1 6 THR MG 2.800 . 3.300 2.291 2.230 2.386 . 0 0 "[ . 1 . 2]" 1
1050 1 6 THR H 1 6 THR MG 3.800 . 4.300 3.742 3.739 3.746 . 0 0 "[ . 1 . 2]" 1
1051 1 6 THR MG 1 7 ALA HA 4.500 . 5.000 3.635 3.589 3.735 . 0 0 "[ . 1 . 2]" 1
1052 1 6 THR HB 1 7 ALA MB 4.500 . 5.000 3.922 3.869 3.978 . 0 0 "[ . 1 . 2]" 1
1053 1 6 THR H 1 7 ALA MB 4.500 . 5.000 4.205 4.137 4.290 . 0 0 "[ . 1 . 2]" 1
1054 1 6 THR HB 1 7 ALA H 4.500 . 5.000 2.632 2.546 2.657 . 0 0 "[ . 1 . 2]" 1
1055 1 6 THR MG 1 7 ALA H 4.500 . 5.000 3.611 3.544 3.665 . 0 0 "[ . 1 . 2]" 1
1056 1 6 THR H 1 7 ALA H 4.500 . 5.000 2.552 2.508 2.624 . 0 0 "[ . 1 . 2]" 1
1057 1 6 THR MG 1 8 MET H 5.200 . 5.700 5.319 5.133 5.421 . 0 0 "[ . 1 . 2]" 1
1058 1 6 THR HA 1 9 GLU QB 3.800 . 4.300 2.831 2.738 3.319 . 0 0 "[ . 1 . 2]" 1
1059 1 6 THR MG 1 9 GLU QB 4.500 . 5.000 3.605 3.304 4.118 . 0 0 "[ . 1 . 2]" 1
1060 1 6 THR HA 1 10 THR H 4.500 . 5.000 4.195 4.090 4.357 . 0 0 "[ . 1 . 2]" 1
1061 1 6 THR MG 1 10 THR H 4.500 . 5.000 3.936 3.790 4.098 . 0 0 "[ . 1 . 2]" 1
1062 1 7 ALA MB 1 8 MET QB 5.200 . 5.700 4.341 3.837 4.504 . 0 0 "[ . 1 . 2]" 1
1063 1 7 ALA MB 1 8 MET QG 3.800 . 4.300 3.483 3.202 3.980 . 0 0 "[ . 1 . 2]" 1
1064 1 7 ALA MB 1 8 MET HG3 4.500 . 5.000 3.760 3.364 5.032 0.032 17 0 "[ . 1 . 2]" 1
1065 1 7 ALA MB 1 8 MET HG2 4.500 . 5.000 4.224 3.901 4.868 . 0 0 "[ . 1 . 2]" 1
1066 1 7 ALA MB 1 8 MET H 3.800 . 4.300 2.471 2.322 2.584 . 0 0 "[ . 1 . 2]" 1
1067 1 7 ALA HA 1 10 THR HB 3.800 . 4.300 2.461 2.325 2.610 . 0 0 "[ . 1 . 2]" 1
1068 1 7 ALA MB 1 11 LEU QD 3.800 . 4.300 3.384 3.170 3.507 . 0 0 "[ . 1 . 2]" 1
1069 1 8 MET H 1 8 MET HB3 3.800 . 4.300 3.547 2.715 3.679 . 0 0 "[ . 1 . 2]" 1
1070 1 8 MET H 1 8 MET HB2 3.800 . 4.300 2.660 1.991 3.658 . 0 0 "[ . 1 . 2]" 1
1071 1 8 MET QB 1 8 MET ME 3.800 . 4.300 2.055 1.927 3.389 . 0 0 "[ . 1 . 2]" 1
1072 1 8 MET HB3 1 8 MET ME 4.500 . 5.000 2.691 2.012 3.752 . 0 0 "[ . 1 . 2]" 1
1073 1 8 MET HB2 1 8 MET ME 4.500 . 5.000 2.195 1.994 3.861 . 0 0 "[ . 1 . 2]" 1
1074 1 8 MET ME 1 8 MET HG3 3.800 . 4.300 2.494 2.333 3.297 . 0 0 "[ . 1 . 2]" 1
1075 1 8 MET ME 1 8 MET HG2 3.800 . 4.300 3.256 2.202 3.392 . 0 0 "[ . 1 . 2]" 1
1076 1 8 MET HA 1 8 MET QG 3.800 . 4.300 2.483 2.302 3.358 . 0 0 "[ . 1 . 2]" 1
1077 1 8 MET H 1 8 MET HG3 3.800 . 4.300 2.321 1.783 3.847 0.017 14 0 "[ . 1 . 2]" 1
1078 1 8 MET H 1 8 MET HG2 3.800 . 4.300 3.199 2.538 3.271 . 0 0 "[ . 1 . 2]" 1
1079 1 8 MET ME 1 9 GLU QB 4.500 . 5.000 4.781 3.875 5.038 0.038 12 0 "[ . 1 . 2]" 1
1080 1 8 MET ME 1 9 GLU QG 4.500 . 5.000 3.865 3.234 5.080 0.080 19 0 "[ . 1 . 2]" 1
1081 1 8 MET QG 1 9 GLU H 4.500 . 5.000 3.744 1.835 4.316 . 0 0 "[ . 1 . 2]" 1
1082 1 8 MET H 1 9 GLU H 4.500 . 5.000 2.668 2.595 2.915 . 0 0 "[ . 1 . 2]" 1
1083 1 8 MET QB 1 11 LEU QD 4.500 . 5.000 4.092 3.525 4.498 . 0 0 "[ . 1 . 2]" 1
1084 1 8 MET QG 1 11 LEU QD 4.500 . 5.000 3.738 3.462 4.888 . 0 0 "[ . 1 . 2]" 1
1085 1 8 MET H 1 11 LEU QD 3.800 . 4.300 4.329 4.322 4.336 0.036 17 0 "[ . 1 . 2]" 1
1086 1 8 MET HA 1 11 LEU HG 4.500 . 5.000 3.380 2.854 3.755 . 0 0 "[ . 1 . 2]" 1
1087 1 9 GLU H 1 10 THR H 4.500 . 5.000 2.570 2.509 2.619 . 0 0 "[ . 1 . 2]" 1
1088 1 9 GLU QG 1 12 ILE HB 4.500 . 5.000 4.351 3.591 5.019 0.019 18 0 "[ . 1 . 2]" 1
1089 1 9 GLU QG 1 12 ILE MD 4.500 . 5.000 3.684 3.348 3.988 . 0 0 "[ . 1 . 2]" 1
1090 1 9 GLU QG 1 13 ASN HD21 4.500 . 5.000 4.635 3.348 5.021 0.021 13 0 "[ . 1 . 2]" 1
1091 1 9 GLU QG 1 13 ASN HD22 4.500 . 5.000 3.579 2.008 4.237 . 0 0 "[ . 1 . 2]" 1
1092 1 10 THR H 1 10 THR HB 3.800 . 4.300 2.583 2.562 2.596 . 0 0 "[ . 1 . 2]" 1
1093 1 10 THR H 1 10 THR MG 4.500 . 5.000 3.740 3.731 3.746 . 0 0 "[ . 1 . 2]" 1
1094 1 10 THR HB 1 11 LEU QD 4.500 . 5.000 3.485 3.416 3.579 . 0 0 "[ . 1 . 2]" 1
1095 1 10 THR H 1 11 LEU QD 4.500 . 5.000 4.593 4.549 4.687 . 0 0 "[ . 1 . 2]" 1
1096 1 10 THR HB 1 11 LEU H 4.500 . 5.000 2.538 2.494 2.608 . 0 0 "[ . 1 . 2]" 1
1097 1 10 THR MG 1 11 LEU H 4.500 . 5.000 3.516 3.482 3.546 . 0 0 "[ . 1 . 2]" 1
1098 1 10 THR H 1 11 LEU H 4.500 . 5.000 2.740 2.712 2.892 . 0 0 "[ . 1 . 2]" 1
1099 1 10 THR HA 1 13 ASN HB3 4.500 . 5.000 4.026 3.777 4.261 . 0 0 "[ . 1 . 2]" 1
1100 1 10 THR MG 1 13 ASN HB3 4.500 . 5.000 4.730 4.270 5.003 0.003 11 0 "[ . 1 . 2]" 1
1101 1 10 THR HA 1 13 ASN HB2 3.800 . 4.300 2.458 2.280 2.631 . 0 0 "[ . 1 . 2]" 1
1102 1 10 THR MG 1 13 ASN HB2 4.500 . 5.000 3.504 3.079 3.796 . 0 0 "[ . 1 . 2]" 1
1103 1 10 THR HA 1 14 VAL QG 4.500 . 5.000 3.625 3.270 3.780 . 0 0 "[ . 1 . 2]" 1
1104 1 10 THR MG 1 14 VAL QG 3.800 . 4.300 2.453 2.274 2.603 . 0 0 "[ . 1 . 2]" 1
1105 1 11 LEU H 1 11 LEU QD 3.800 . 4.300 2.912 2.843 2.951 . 0 0 "[ . 1 . 2]" 1
1106 1 11 LEU H 1 11 LEU HG 3.800 . 4.300 1.944 1.891 2.021 . 0 0 "[ . 1 . 2]" 1
1107 1 11 LEU H 1 12 ILE HB 5.200 . 5.700 4.901 4.795 4.978 . 0 0 "[ . 1 . 2]" 1
1108 1 11 LEU H 1 12 ILE H 4.500 . 5.000 2.733 2.709 2.784 . 0 0 "[ . 1 . 2]" 1
1109 1 12 ILE H 1 12 ILE HB 3.800 . 4.300 2.492 2.466 2.517 . 0 0 "[ . 1 . 2]" 1
1110 1 12 ILE HA 1 12 ILE MD 4.500 . 5.000 3.799 3.786 3.810 . 0 0 "[ . 1 . 2]" 1
1111 1 12 ILE H 1 12 ILE HG13 3.800 . 4.300 2.051 2.015 2.107 . 0 0 "[ . 1 . 2]" 1
1112 1 12 ILE H 1 13 ASN HB2 4.500 . 5.000 4.767 4.693 4.825 . 0 0 "[ . 1 . 2]" 1
1113 1 12 ILE HB 1 13 ASN H 4.500 . 5.000 2.615 2.462 2.748 . 0 0 "[ . 1 . 2]" 1
1114 1 12 ILE HG13 1 13 ASN H 4.500 . 5.000 4.185 4.141 4.240 . 0 0 "[ . 1 . 2]" 1
1115 1 12 ILE H 1 13 ASN H 4.500 . 5.000 2.623 2.568 2.710 . 0 0 "[ . 1 . 2]" 1
1116 1 12 ILE HA 1 15 PHE QB 4.500 . 5.000 2.622 2.196 3.215 . 0 0 "[ . 1 . 2]" 1
1117 1 12 ILE MG 1 15 PHE QB 4.500 . 5.000 3.657 3.084 4.409 . 0 0 "[ . 1 . 2]" 1
1118 1 12 ILE HA 1 15 PHE HB3 4.500 . 5.000 3.343 2.239 4.983 . 0 0 "[ . 1 . 2]" 1
1119 1 12 ILE HA 1 15 PHE HB2 4.500 . 5.000 3.183 2.826 3.810 . 0 0 "[ . 1 . 2]" 1
1120 1 12 ILE HA 1 71 PHE HE1 4.500 . 5.000 4.370 3.340 5.005 0.005 3 0 "[ . 1 . 2]" 1
1121 1 12 ILE MD 1 71 PHE HE2 3.800 . 4.300 4.259 3.979 4.316 0.016 19 0 "[ . 1 . 2]" 1
1122 1 12 ILE MG 1 71 PHE HE2 4.500 . 5.000 4.661 4.285 5.001 0.001 17 0 "[ . 1 . 2]" 1
1123 1 12 ILE HA 1 75 VAL QG 5.200 . 5.700 5.301 4.729 5.701 0.001 20 0 "[ . 1 . 2]" 1
1124 1 13 ASN HB3 1 14 VAL HA 4.500 . 5.000 4.433 4.336 4.524 . 0 0 "[ . 1 . 2]" 1
1125 1 13 ASN HB3 1 14 VAL QG 3.800 . 4.300 3.909 3.651 4.130 . 0 0 "[ . 1 . 2]" 1
1126 1 13 ASN HB2 1 14 VAL QG 4.500 . 5.000 3.093 2.920 3.252 . 0 0 "[ . 1 . 2]" 1
1127 1 13 ASN HB3 1 14 VAL H 4.500 . 5.000 3.690 3.638 3.732 . 0 0 "[ . 1 . 2]" 1
1128 1 13 ASN HB2 1 14 VAL H 4.500 . 5.000 2.675 2.612 2.739 . 0 0 "[ . 1 . 2]" 1
1129 1 13 ASN HD21 1 14 VAL H 5.200 . 5.700 4.735 4.302 5.123 . 0 0 "[ . 1 . 2]" 1
1130 1 13 ASN HA 1 15 PHE H 4.500 . 5.000 4.640 4.402 5.006 0.006 9 0 "[ . 1 . 2]" 1
1131 1 13 ASN HB3 1 17 ALA MB 4.500 . 5.000 4.398 3.776 5.005 0.005 1 0 "[ . 1 . 2]" 1
1132 1 14 VAL H 1 14 VAL HB 3.800 . 4.300 3.044 2.401 3.649 . 0 0 "[ . 1 . 2]" 1
1133 1 14 VAL HA 1 14 VAL QG 2.800 . 3.300 2.212 2.074 2.362 . 0 0 "[ . 1 . 2]" 1
1134 1 14 VAL H 1 14 VAL QG 3.800 . 4.300 2.007 1.794 2.237 0.006 17 0 "[ . 1 . 2]" 1
1135 1 14 VAL H 1 14 VAL MG1 3.800 . 4.300 2.990 2.137 3.764 . 0 0 "[ . 1 . 2]" 1
1136 1 14 VAL H 1 14 VAL MG2 3.800 . 4.300 2.072 1.862 2.255 . 0 0 "[ . 1 . 2]" 1
1137 1 14 VAL QG 1 15 PHE HA 4.500 . 5.000 3.286 3.054 3.621 . 0 0 "[ . 1 . 2]" 1
1138 1 14 VAL HB 1 15 PHE H 4.500 . 5.000 3.090 2.388 3.841 . 0 0 "[ . 1 . 2]" 1
1139 1 14 VAL QG 1 15 PHE H 3.800 . 4.300 2.526 1.806 3.214 . 0 0 "[ . 1 . 2]" 1
1140 1 14 VAL H 1 15 PHE H 4.500 . 5.000 2.584 2.418 2.768 . 0 0 "[ . 1 . 2]" 1
1141 1 14 VAL HA 1 17 ALA HA 5.200 . 5.700 5.622 5.462 5.725 0.025 5 0 "[ . 1 . 2]" 1
1142 1 14 VAL HA 1 17 ALA MB 3.800 . 4.300 2.740 2.525 3.078 . 0 0 "[ . 1 . 2]" 1
1143 1 14 VAL HB 1 17 ALA MB 4.500 . 5.000 4.860 4.488 5.033 0.033 11 0 "[ . 1 . 2]" 1
1144 1 14 VAL QG 1 17 ALA MB 4.500 . 5.000 3.778 3.396 4.168 . 0 0 "[ . 1 . 2]" 1
1145 1 14 VAL MG1 1 17 ALA MB 4.500 . 5.000 4.034 3.587 4.461 . 0 0 "[ . 1 . 2]" 1
1146 1 14 VAL MG2 1 17 ALA MB 4.500 . 5.000 4.566 4.042 5.009 0.009 14 0 "[ . 1 . 2]" 1
1147 1 14 VAL HA 1 17 ALA H 4.500 . 5.000 3.672 3.573 3.795 . 0 0 "[ . 1 . 2]" 1
1148 1 14 VAL QG 1 17 ALA H 4.500 . 5.000 4.543 4.403 4.694 . 0 0 "[ . 1 . 2]" 1
1149 1 14 VAL HA 1 18 HIS HB2 5.200 . 5.700 5.395 4.823 5.707 0.007 18 0 "[ . 1 . 2]" 1
1150 1 14 VAL HA 1 36 LEU QD 4.500 . 5.000 4.656 4.242 5.018 0.018 19 0 "[ . 1 . 2]" 1
1151 1 14 VAL HB 1 36 LEU QD 3.800 . 4.300 4.055 3.274 4.358 0.058 2 0 "[ . 1 . 2]" 1
1152 1 14 VAL QG 1 36 LEU QD 3.800 . 4.300 3.000 2.259 3.808 . 0 0 "[ . 1 . 2]" 1
1153 1 14 VAL QG 1 40 GLU QG 4.500 . 5.000 3.669 2.334 4.702 . 0 0 "[ . 1 . 2]" 1
1154 1 15 PHE H 1 16 HIS H 4.500 . 5.000 2.741 2.616 2.902 . 0 0 "[ . 1 . 2]" 1
1155 1 15 PHE HA 1 28 LEU QD 4.500 . 5.000 3.604 2.925 4.813 . 0 0 "[ . 1 . 2]" 1
1156 1 15 PHE QD 1 28 LEU QD 3.800 . 4.300 2.423 1.912 3.329 . 0 0 "[ . 1 . 2]" 1
1157 1 15 PHE QD 1 28 LEU MD1 4.500 . 5.000 2.706 1.946 4.875 . 0 0 "[ . 1 . 2]" 1
1158 1 15 PHE QD 1 28 LEU MD2 4.500 . 5.000 3.331 2.203 4.915 . 0 0 "[ . 1 . 2]" 1
1159 1 15 PHE HA 1 28 LEU HG 5.200 . 5.700 5.681 5.131 5.777 0.077 13 0 "[ . 1 . 2]" 1
1160 1 15 PHE QD 1 28 LEU HG 4.500 . 5.000 4.097 3.592 4.926 . 0 0 "[ . 1 . 2]" 1
1161 1 15 PHE HA 1 36 LEU QD 3.800 . 4.300 2.816 2.024 3.424 . 0 0 "[ . 1 . 2]" 1
1162 1 15 PHE QD 1 36 LEU QD 4.500 . 5.000 2.961 1.967 3.903 . 0 0 "[ . 1 . 2]" 1
1163 1 15 PHE H 1 36 LEU QD 4.500 . 5.000 4.525 4.032 4.907 . 0 0 "[ . 1 . 2]" 1
1164 1 15 PHE HA 1 36 LEU MD1 4.500 . 5.000 3.000 2.227 3.561 . 0 0 "[ . 1 . 2]" 1
1165 1 15 PHE HA 1 36 LEU MD2 4.500 . 5.000 3.619 2.311 4.867 . 0 0 "[ . 1 . 2]" 1
1166 1 15 PHE QB 1 71 PHE HB2 5.200 . 5.700 5.040 4.159 5.709 0.009 3 0 "[ . 1 . 2]" 1
1167 1 15 PHE QD 1 71 PHE HD1 5.200 . 5.700 3.235 2.253 4.544 . 0 0 "[ . 1 . 2]" 1
1168 1 15 PHE QB 1 71 PHE HE1 4.500 . 5.000 2.426 2.045 3.467 . 0 0 "[ . 1 . 2]" 1
1169 1 15 PHE QB 1 74 TYR HD2 5.200 . 5.700 4.918 4.133 5.632 . 0 0 "[ . 1 . 2]" 1
1170 1 16 HIS HA 1 17 ALA HA 5.200 . 5.700 4.782 4.722 4.838 . 0 0 "[ . 1 . 2]" 1
1171 1 16 HIS QB 1 17 ALA HA 5.200 . 5.700 4.036 3.859 4.141 . 0 0 "[ . 1 . 2]" 1
1172 1 16 HIS QB 1 17 ALA MB 5.200 . 5.700 3.826 3.661 4.022 . 0 0 "[ . 1 . 2]" 1
1173 1 16 HIS QB 1 17 ALA H 4.500 . 5.000 2.544 2.454 2.760 . 0 0 "[ . 1 . 2]" 1
1174 1 16 HIS HB3 1 17 ALA H 4.500 . 5.000 2.669 2.484 3.723 . 0 0 "[ . 1 . 2]" 1
1175 1 16 HIS HB2 1 17 ALA H 4.500 . 5.000 3.748 2.763 3.890 . 0 0 "[ . 1 . 2]" 1
1176 1 16 HIS H 1 17 ALA H 3.800 . 4.300 2.729 2.656 2.842 . 0 0 "[ . 1 . 2]" 1
1177 1 16 HIS HA 1 19 SER QB 4.500 . 5.000 3.457 2.266 4.500 . 0 0 "[ . 1 . 2]" 1
1178 1 16 HIS HA 1 19 SER H 4.500 . 5.000 3.955 3.324 4.329 . 0 0 "[ . 1 . 2]" 1
1179 1 16 HIS H 1 19 SER H 5.200 . 5.700 4.827 4.646 5.002 . 0 0 "[ . 1 . 2]" 1
1180 1 17 ALA HA 1 18 HIS HA 4.500 . 5.000 4.658 4.564 4.790 . 0 0 "[ . 1 . 2]" 1
1181 1 17 ALA MB 1 18 HIS HA 4.500 . 5.000 3.810 3.677 3.895 . 0 0 "[ . 1 . 2]" 1
1182 1 17 ALA MB 1 18 HIS HB2 4.500 . 5.000 4.319 4.046 4.429 . 0 0 "[ . 1 . 2]" 1
1183 1 17 ALA MB 1 18 HIS H 3.800 . 4.300 2.492 2.288 2.663 . 0 0 "[ . 1 . 2]" 1
1184 1 17 ALA H 1 18 HIS H 3.800 . 4.300 2.829 2.750 2.912 . 0 0 "[ . 1 . 2]" 1
1185 1 17 ALA MB 1 19 SER H 5.200 . 5.700 4.524 4.354 4.703 . 0 0 "[ . 1 . 2]" 1
1186 1 17 ALA MB 1 20 GLY H 5.200 . 5.700 4.994 4.653 5.363 . 0 0 "[ . 1 . 2]" 1
1187 1 17 ALA MB 1 36 LEU QD 4.500 . 5.000 4.529 4.080 4.992 . 0 0 "[ . 1 . 2]" 1
1188 1 18 HIS H 1 18 HIS HB3 3.800 . 4.300 3.552 2.180 3.681 . 0 0 "[ . 1 . 2]" 1
1189 1 18 HIS H 1 18 HIS HB2 3.800 . 4.300 2.479 2.406 2.823 . 0 0 "[ . 1 . 2]" 1
1190 1 18 HIS H 1 18 HIS HD2 3.800 . 4.300 3.358 2.902 4.373 0.073 17 0 "[ . 1 . 2]" 1
1191 1 18 HIS HB3 1 19 SER H 4.500 . 5.000 3.651 2.688 3.924 . 0 0 "[ . 1 . 2]" 1
1192 1 18 HIS H 1 19 SER H 3.800 . 4.300 2.539 2.296 2.853 . 0 0 "[ . 1 . 2]" 1
1193 1 18 HIS H 1 20 GLY H 4.500 . 5.000 4.061 3.785 4.259 . 0 0 "[ . 1 . 2]" 1
1194 1 18 HIS HA 1 21 LYS HA 5.200 . 5.700 5.617 5.326 5.720 0.020 13 0 "[ . 1 . 2]" 1
1195 1 18 HIS HA 1 21 LYS QB 4.500 . 5.000 3.819 3.323 4.188 . 0 0 "[ . 1 . 2]" 1
1196 1 18 HIS HA 1 21 LYS QD 4.500 . 5.000 3.405 2.556 4.869 . 0 0 "[ . 1 . 2]" 1
1197 1 18 HIS HA 1 21 LYS QE 3.800 . 4.300 2.679 2.241 4.305 0.005 7 0 "[ . 1 . 2]" 1
1198 1 18 HIS HB3 1 21 LYS QE 4.500 . 5.000 3.460 2.219 5.015 0.015 14 0 "[ . 1 . 2]" 1
1199 1 18 HIS HA 1 21 LYS QG 3.800 . 4.300 2.819 2.320 4.208 . 0 0 "[ . 1 . 2]" 1
1200 1 18 HIS HB3 1 28 LEU QD 5.200 . 5.700 4.787 4.227 5.711 0.011 4 0 "[ . 1 . 2]" 1
1201 1 18 HIS HB2 1 28 LEU QD 5.200 . 5.700 4.351 3.736 5.612 . 0 0 "[ . 1 . 2]" 1
1202 1 18 HIS HA 1 36 LEU QD 4.500 . 5.000 4.015 3.707 4.322 . 0 0 "[ . 1 . 2]" 1
1203 1 18 HIS H 1 36 LEU QD 4.500 . 5.000 3.638 3.199 3.969 . 0 0 "[ . 1 . 2]" 1
1204 1 18 HIS HB3 1 36 LEU MD1 4.500 . 5.000 3.314 2.313 3.886 . 0 0 "[ . 1 . 2]" 1
1205 1 18 HIS HB2 1 36 LEU MD1 3.800 . 4.300 2.766 2.118 3.977 . 0 0 "[ . 1 . 2]" 1
1206 1 18 HIS H 1 36 LEU MD1 4.500 . 5.000 4.473 3.682 4.976 . 0 0 "[ . 1 . 2]" 1
1207 1 18 HIS HB3 1 36 LEU MD2 4.500 . 5.000 2.424 2.110 3.192 . 0 0 "[ . 1 . 2]" 1
1208 1 18 HIS HB2 1 36 LEU MD2 3.800 . 4.300 2.180 1.993 2.965 . 0 0 "[ . 1 . 2]" 1
1209 1 18 HIS H 1 36 LEU MD2 4.500 . 5.000 3.918 3.326 4.973 . 0 0 "[ . 1 . 2]" 1
1210 1 18 HIS HB2 1 36 LEU HG 4.500 . 5.000 3.787 3.234 4.910 . 0 0 "[ . 1 . 2]" 1
1211 1 19 SER H 1 20 GLY H 4.500 . 5.000 2.674 2.586 2.744 . 0 0 "[ . 1 . 2]" 1
1212 1 19 SER H 1 21 LYS QG 5.200 . 5.700 4.972 4.807 5.186 . 0 0 "[ . 1 . 2]" 1
1213 1 19 SER HA 1 28 LEU HA 4.500 . 5.000 4.199 3.712 4.595 . 0 0 "[ . 1 . 2]" 1
1214 1 19 SER HA 1 28 LEU QD 3.800 . 4.300 3.111 2.295 4.310 0.010 6 0 "[ . 1 . 2]" 1
1215 1 19 SER QB 1 28 LEU QD 3.800 . 4.300 2.561 1.909 4.172 . 0 0 "[ . 1 . 2]" 1
1216 1 19 SER H 1 28 LEU QD 4.500 . 5.000 3.916 3.418 5.037 0.037 16 0 "[ . 1 . 2]" 1
1217 1 19 SER HB3 1 28 LEU MD1 5.200 . 5.700 4.646 2.297 5.700 . 0 0 "[ . 1 . 2]" 1
1218 1 19 SER HB2 1 28 LEU MD1 5.200 . 5.700 5.021 3.069 5.718 0.018 10 0 "[ . 1 . 2]" 1
1219 1 19 SER HB3 1 28 LEU MD2 5.200 . 5.700 3.146 2.074 5.018 . 0 0 "[ . 1 . 2]" 1
1220 1 19 SER HB2 1 28 LEU MD2 5.200 . 5.700 3.443 2.063 5.725 0.025 13 0 "[ . 1 . 2]" 1
1221 1 19 SER HA 1 32 GLU HA 5.200 . 5.700 5.463 4.818 5.722 0.022 14 0 "[ . 1 . 2]" 1
1222 1 19 SER QB 1 32 GLU HB3 4.500 . 5.000 4.585 3.881 5.019 0.019 7 0 "[ . 1 . 2]" 1
1223 1 19 SER QB 1 36 LEU QD 4.500 . 5.000 3.952 3.219 4.543 . 0 0 "[ . 1 . 2]" 1
1224 1 19 SER H 1 36 LEU QD 4.500 . 5.000 3.587 3.191 3.875 . 0 0 "[ . 1 . 2]" 1
1225 1 20 GLY H 1 21 LYS QG 5.200 . 5.700 4.172 4.023 4.474 . 0 0 "[ . 1 . 2]" 1
1226 1 20 GLY H 1 21 LYS H 3.800 . 4.300 2.778 2.664 2.897 . 0 0 "[ . 1 . 2]" 1
1227 1 20 GLY QA 1 22 GLU H 4.500 . 5.000 3.992 3.872 4.214 . 0 0 "[ . 1 . 2]" 1
1228 1 20 GLY H 1 22 GLU H 4.500 . 5.000 4.642 4.424 5.005 0.005 12 0 "[ . 1 . 2]" 1
1229 1 20 GLY QA 1 25 LYS HA 3.800 . 4.300 2.514 2.173 3.059 . 0 0 "[ . 1 . 2]" 1
1230 1 20 GLY HA3 1 25 LYS HA 3.800 . 4.300 3.880 3.549 4.262 . 0 0 "[ . 1 . 2]" 1
1231 1 20 GLY HA2 1 25 LYS HA 3.800 . 4.300 2.551 2.192 3.134 . 0 0 "[ . 1 . 2]" 1
1232 1 20 GLY H 1 25 LYS HA 4.500 . 5.000 3.732 3.354 4.811 . 0 0 "[ . 1 . 2]" 1
1233 1 20 GLY HA3 1 25 LYS HB3 4.500 . 5.000 4.524 4.157 4.891 . 0 0 "[ . 1 . 2]" 1
1234 1 20 GLY HA2 1 25 LYS HB3 4.500 . 5.000 3.898 3.064 4.400 . 0 0 "[ . 1 . 2]" 1
1235 1 20 GLY QA 1 25 LYS HB2 4.500 . 5.000 4.495 4.232 4.618 . 0 0 "[ . 1 . 2]" 1
1236 1 20 GLY HA3 1 25 LYS HB2 5.200 . 5.700 5.705 5.658 5.720 0.020 7 0 "[ . 1 . 2]" 1
1237 1 20 GLY HA2 1 25 LYS HB2 5.200 . 5.700 4.707 4.363 4.878 . 0 0 "[ . 1 . 2]" 1
1238 1 20 GLY QA 1 25 LYS QD 3.800 . 4.300 3.749 3.386 4.089 . 0 0 "[ . 1 . 2]" 1
1239 1 20 GLY QA 1 25 LYS QG 3.800 . 4.300 2.149 2.060 2.216 . 0 0 "[ . 1 . 2]" 1
1240 1 20 GLY HA3 1 25 LYS QG 5.200 . 5.700 2.967 2.670 3.462 . 0 0 "[ . 1 . 2]" 1
1241 1 20 GLY HA2 1 25 LYS QG 5.200 . 5.700 2.209 2.143 2.272 . 0 0 "[ . 1 . 2]" 1
1242 1 21 LYS HA 1 21 LYS QD 4.500 . 5.000 3.942 3.853 4.393 . 0 0 "[ . 1 . 2]" 1
1243 1 21 LYS QB 1 21 LYS QE 2.800 . 3.300 2.607 2.092 3.469 0.169 14 0 "[ . 1 . 2]" 1
1244 1 21 LYS QE 1 21 LYS QG 2.800 . 3.300 2.242 2.056 2.858 . 0 0 "[ . 1 . 2]" 1
1245 1 21 LYS H 1 21 LYS QE 4.500 . 5.000 3.796 3.152 4.703 . 0 0 "[ . 1 . 2]" 1
1246 1 21 LYS H 1 21 LYS QG 3.800 . 4.300 2.124 2.067 2.285 . 0 0 "[ . 1 . 2]" 1
1247 1 21 LYS HA 1 22 GLU HG2 5.200 . 5.700 4.672 4.162 5.252 . 0 0 "[ . 1 . 2]" 1
1248 1 21 LYS HA 1 22 GLU H 3.800 . 4.300 3.571 3.543 3.619 . 0 0 "[ . 1 . 2]" 1
1249 1 21 LYS QB 1 22 GLU H 4.500 . 5.000 2.762 2.559 3.433 . 0 0 "[ . 1 . 2]" 1
1250 1 21 LYS QG 1 22 GLU H 4.500 . 5.000 3.780 1.981 4.205 . 0 0 "[ . 1 . 2]" 1
1251 1 21 LYS H 1 22 GLU H 3.800 . 4.300 2.864 2.757 3.030 . 0 0 "[ . 1 . 2]" 1
1252 1 22 GLU HA 1 22 GLU HG2 3.800 . 4.300 2.682 2.407 3.010 . 0 0 "[ . 1 . 2]" 1
1253 1 22 GLU H 1 22 GLU HG2 3.800 . 4.300 3.599 2.894 4.181 . 0 0 "[ . 1 . 2]" 1
1254 1 22 GLU HA 1 23 GLY QA 4.500 . 5.000 3.971 3.935 4.069 . 0 0 "[ . 1 . 2]" 1
1255 1 22 GLU H 1 23 GLY QA 4.500 . 5.000 4.896 4.657 5.026 0.026 6 0 "[ . 1 . 2]" 1
1256 1 22 GLU HA 1 23 GLY HA3 4.500 . 5.000 4.486 4.455 4.562 . 0 0 "[ . 1 . 2]" 1
1257 1 22 GLU HA 1 23 GLY HA2 4.500 . 5.000 4.431 4.378 4.584 . 0 0 "[ . 1 . 2]" 1
1258 1 25 LYS HA 1 25 LYS QD 4.500 . 5.000 3.968 3.915 4.217 . 0 0 "[ . 1 . 2]" 1
1259 1 25 LYS HB3 1 25 LYS QE 4.500 . 5.000 3.967 2.252 4.191 . 0 0 "[ . 1 . 2]" 1
1260 1 25 LYS HB2 1 25 LYS QE 4.500 . 5.000 3.909 2.933 4.201 . 0 0 "[ . 1 . 2]" 1
1261 1 25 LYS HB3 1 25 LYS HE3 5.200 . 5.700 4.548 2.270 4.808 . 0 0 "[ . 1 . 2]" 1
1262 1 25 LYS HB2 1 25 LYS HE3 5.200 . 5.700 4.378 2.990 4.834 . 0 0 "[ . 1 . 2]" 1
1263 1 25 LYS HB3 1 25 LYS HE2 5.200 . 5.700 4.437 3.748 4.754 . 0 0 "[ . 1 . 2]" 1
1264 1 25 LYS HB2 1 25 LYS HE2 5.200 . 5.700 4.491 4.211 4.835 . 0 0 "[ . 1 . 2]" 1
1265 1 25 LYS HA 1 25 LYS QG 3.800 . 4.300 2.399 2.332 2.435 . 0 0 "[ . 1 . 2]" 1
1266 1 25 LYS HB2 1 26 TYR HA 4.500 . 5.000 4.218 4.066 5.062 0.062 10 0 "[ . 1 . 2]" 1
1267 1 25 LYS HA 1 26 TYR QD 4.500 . 5.000 4.392 4.126 4.661 . 0 0 "[ . 1 . 2]" 1
1268 1 25 LYS HD3 1 26 TYR QD 5.200 . 5.700 4.982 4.197 5.497 . 0 0 "[ . 1 . 2]" 1
1269 1 25 LYS HD2 1 26 TYR QD 5.200 . 5.700 4.355 4.124 5.622 . 0 0 "[ . 1 . 2]" 1
1270 1 25 LYS QD 1 26 TYR QE 4.500 . 5.000 2.806 2.642 2.983 . 0 0 "[ . 1 . 2]" 1
1271 1 25 LYS QE 1 26 TYR QE 4.500 . 5.000 4.512 2.821 4.893 . 0 0 "[ . 1 . 2]" 1
1272 1 25 LYS QG 1 26 TYR QE 4.500 . 5.000 4.051 3.643 4.336 . 0 0 "[ . 1 . 2]" 1
1273 1 25 LYS HB3 1 26 TYR H 4.500 . 5.000 3.534 2.338 3.771 . 0 0 "[ . 1 . 2]" 1
1274 1 25 LYS HB2 1 26 TYR H 4.500 . 5.000 2.556 2.386 3.459 . 0 0 "[ . 1 . 2]" 1
1275 1 26 TYR HA 1 27 LYS HA 4.500 . 5.000 4.540 4.441 4.579 . 0 0 "[ . 1 . 2]" 1
1276 1 26 TYR QB 1 27 LYS H 4.500 . 5.000 3.146 2.858 3.628 . 0 0 "[ . 1 . 2]" 1
1277 1 26 TYR HB3 1 27 LYS H 4.500 . 5.000 4.160 3.941 4.556 . 0 0 "[ . 1 . 2]" 1
1278 1 26 TYR HB2 1 27 LYS H 4.500 . 5.000 3.262 2.934 3.845 . 0 0 "[ . 1 . 2]" 1
1279 1 26 TYR H 1 27 LYS H 3.800 . 4.300 2.637 2.510 2.755 . 0 0 "[ . 1 . 2]" 1
1280 1 27 LYS QB 1 27 LYS HE2 4.500 . 5.000 3.696 2.113 4.188 . 0 0 "[ . 1 . 2]" 1
1281 1 27 LYS HA 1 27 LYS QG 3.800 . 4.300 2.709 2.325 2.885 . 0 0 "[ . 1 . 2]" 1
1282 1 27 LYS H 1 27 LYS QG 4.500 . 5.000 3.448 2.692 4.202 . 0 0 "[ . 1 . 2]" 1
1283 1 27 LYS HE2 1 68 GLU HA 5.200 . 5.700 5.418 4.667 5.746 0.046 15 0 "[ . 1 . 2]" 1
1284 1 27 LYS QD 1 68 GLU HB3 4.500 . 5.000 4.810 4.056 5.023 0.023 17 0 "[ . 1 . 2]" 1
1285 1 27 LYS HE2 1 68 GLU HB3 4.500 . 5.000 3.370 2.797 3.938 . 0 0 "[ . 1 . 2]" 1
1286 1 27 LYS HA 1 68 GLU HG2 5.200 . 5.700 5.300 4.453 5.710 0.010 12 0 "[ . 1 . 2]" 1
1287 1 27 LYS QB 1 68 GLU HG2 4.500 . 5.000 3.901 2.451 5.028 0.028 1 0 "[ . 1 . 2]" 1
1288 1 27 LYS QD 1 68 GLU HG2 4.500 . 5.000 3.567 2.719 4.154 . 0 0 "[ . 1 . 2]" 1
1289 1 27 LYS HE2 1 68 GLU HG2 3.800 . 4.300 2.810 2.240 3.488 . 0 0 "[ . 1 . 2]" 1
1290 1 27 LYS QB 1 70 ASP HA 5.200 . 5.700 4.387 2.807 5.343 . 0 0 "[ . 1 . 2]" 1
1291 1 27 LYS QD 1 70 ASP HA 4.500 . 5.000 2.403 2.012 4.067 . 0 0 "[ . 1 . 2]" 1
1292 1 27 LYS HE3 1 70 ASP HA 3.800 . 4.300 3.024 2.258 4.329 0.029 3 0 "[ . 1 . 2]" 1
1293 1 27 LYS QD 1 70 ASP QB 4.500 . 5.000 3.465 2.383 4.168 . 0 0 "[ . 1 . 2]" 1
1294 1 27 LYS HE3 1 70 ASP QB 4.500 . 5.000 3.184 2.251 5.013 0.013 3 0 "[ . 1 . 2]" 1
1295 1 27 LYS QD 1 71 PHE H 4.500 . 5.000 3.391 2.634 5.012 0.012 12 0 "[ . 1 . 2]" 1
1296 1 28 LEU HA 1 28 LEU QD 3.800 . 4.300 2.158 1.942 2.704 . 0 0 "[ . 1 . 2]" 1
1297 1 28 LEU HA 1 28 LEU MD1 4.500 . 5.000 3.653 2.189 3.864 . 0 0 "[ . 1 . 2]" 1
1298 1 28 LEU H 1 28 LEU MD1 4.500 . 5.000 4.003 3.598 4.343 . 0 0 "[ . 1 . 2]" 1
1299 1 28 LEU HA 1 28 LEU MD2 4.500 . 5.000 2.259 1.984 3.828 . 0 0 "[ . 1 . 2]" 1
1300 1 28 LEU H 1 28 LEU MD2 4.500 . 5.000 3.809 3.468 4.376 . 0 0 "[ . 1 . 2]" 1
1301 1 28 LEU QD 1 29 SER H 4.500 . 5.000 2.987 1.783 3.419 0.017 16 0 "[ . 1 . 2]" 1
1302 1 28 LEU QD 1 32 GLU HA 4.500 . 5.000 4.481 3.889 5.008 0.008 13 0 "[ . 1 . 2]" 1
1303 1 28 LEU HA 1 32 GLU HB3 4.500 . 5.000 4.017 3.541 4.651 . 0 0 "[ . 1 . 2]" 1
1304 1 28 LEU QD 1 32 GLU HB3 3.800 . 4.300 2.658 2.233 3.139 . 0 0 "[ . 1 . 2]" 1
1305 1 28 LEU HA 1 32 GLU HB2 4.500 . 5.000 3.253 2.779 3.969 . 0 0 "[ . 1 . 2]" 1
1306 1 28 LEU QD 1 32 GLU HB2 3.800 . 4.300 2.681 1.999 3.285 . 0 0 "[ . 1 . 2]" 1
1307 1 28 LEU MD1 1 33 LEU HA 3.800 . 4.300 3.139 2.442 4.065 . 0 0 "[ . 1 . 2]" 1
1308 1 28 LEU MD2 1 33 LEU HA 3.800 . 4.300 3.444 2.334 3.921 . 0 0 "[ . 1 . 2]" 1
1309 1 28 LEU HG 1 33 LEU HA 5.200 . 5.700 5.386 4.096 5.733 0.033 17 0 "[ . 1 . 2]" 1
1310 1 28 LEU QD 1 33 LEU HB3 4.500 . 5.000 4.220 3.248 4.685 . 0 0 "[ . 1 . 2]" 1
1311 1 28 LEU QD 1 33 LEU HB2 3.800 . 4.300 3.007 1.969 3.541 . 0 0 "[ . 1 . 2]" 1
1312 1 28 LEU MD1 1 33 LEU HB2 4.500 . 5.000 3.471 1.979 4.412 . 0 0 "[ . 1 . 2]" 1
1313 1 28 LEU MD2 1 33 LEU HB2 4.500 . 5.000 3.716 1.979 4.431 . 0 0 "[ . 1 . 2]" 1
1314 1 28 LEU HA 1 33 LEU QD 5.200 . 5.700 5.272 4.822 5.736 0.036 13 0 "[ . 1 . 2]" 1
1315 1 28 LEU QB 1 33 LEU QD 5.200 . 5.700 3.125 2.534 4.038 . 0 0 "[ . 1 . 2]" 1
1316 1 28 LEU QD 1 33 LEU QD 3.800 . 4.300 2.608 1.903 3.112 . 0 0 "[ . 1 . 2]" 1
1317 1 28 LEU QD 1 33 LEU HG 4.500 . 5.000 3.468 3.106 4.443 . 0 0 "[ . 1 . 2]" 1
1318 1 28 LEU MD1 1 33 LEU HG 4.500 . 5.000 3.785 3.137 5.016 0.016 4 0 "[ . 1 . 2]" 1
1319 1 28 LEU MD2 1 33 LEU HG 4.500 . 5.000 4.789 3.280 5.025 0.025 5 0 "[ . 1 . 2]" 1
1320 1 28 LEU QD 1 33 LEU H 4.500 . 5.000 3.487 2.436 3.936 . 0 0 "[ . 1 . 2]" 1
1321 1 28 LEU MD1 1 33 LEU H 4.500 . 5.000 4.454 2.563 5.016 0.016 5 0 "[ . 1 . 2]" 1
1322 1 28 LEU MD2 1 33 LEU H 4.500 . 5.000 3.785 2.446 4.310 . 0 0 "[ . 1 . 2]" 1
1323 1 28 LEU QD 1 36 LEU HB2 4.500 . 5.000 3.777 3.369 4.176 . 0 0 "[ . 1 . 2]" 1
1324 1 28 LEU MD1 1 36 LEU HB2 4.500 . 5.000 4.125 3.609 4.730 . 0 0 "[ . 1 . 2]" 1
1325 1 28 LEU MD2 1 36 LEU HB2 4.500 . 5.000 4.492 3.900 4.804 . 0 0 "[ . 1 . 2]" 1
1326 1 28 LEU QD 1 36 LEU QD 3.800 . 4.300 2.170 1.878 3.014 . 0 0 "[ . 1 . 2]" 1
1327 1 28 LEU QD 1 36 LEU HG 3.800 . 4.300 3.802 2.664 4.262 . 0 0 "[ . 1 . 2]" 1
1328 1 28 LEU QB 1 69 VAL HB 4.500 . 5.000 3.051 2.645 3.420 . 0 0 "[ . 1 . 2]" 1
1329 1 28 LEU QD 1 69 VAL HB 4.500 . 5.000 3.999 2.433 4.675 . 0 0 "[ . 1 . 2]" 1
1330 1 28 LEU MD1 1 69 VAL HB 5.200 . 5.700 4.458 2.842 5.559 . 0 0 "[ . 1 . 2]" 1
1331 1 28 LEU MD2 1 69 VAL HB 5.200 . 5.700 5.020 2.451 5.723 0.023 15 0 "[ . 1 . 2]" 1
1332 1 28 LEU H 1 69 VAL HB 4.500 . 5.000 4.271 3.432 5.005 0.005 13 0 "[ . 1 . 2]" 1
1333 1 28 LEU QD 1 69 VAL MG1 3.800 . 4.300 3.404 2.521 3.912 . 0 0 "[ . 1 . 2]" 1
1334 1 28 LEU MD1 1 69 VAL MG1 5.200 . 5.700 3.629 2.560 4.931 . 0 0 "[ . 1 . 2]" 1
1335 1 28 LEU MD2 1 69 VAL MG1 5.200 . 5.700 4.813 2.678 5.635 . 0 0 "[ . 1 . 2]" 1
1336 1 28 LEU QD 1 69 VAL MG2 5.200 . 5.700 4.623 3.334 5.219 . 0 0 "[ . 1 . 2]" 1
1337 1 28 LEU H 1 69 VAL H 4.500 . 5.000 4.791 4.205 5.028 0.028 13 0 "[ . 1 . 2]" 1
1338 1 28 LEU QB 1 71 PHE HA 4.500 . 5.000 4.026 2.884 4.779 . 0 0 "[ . 1 . 2]" 1
1339 1 28 LEU QD 1 71 PHE HA 4.500 . 5.000 3.206 2.363 4.231 . 0 0 "[ . 1 . 2]" 1
1340 1 28 LEU HG 1 71 PHE HA 4.500 . 5.000 4.167 3.373 5.028 0.028 13 0 "[ . 1 . 2]" 1
1341 1 28 LEU QB 1 71 PHE HD1 4.500 . 5.000 4.496 3.429 5.020 0.020 3 0 "[ . 1 . 2]" 1
1342 1 28 LEU HG 1 71 PHE HD1 4.500 . 5.000 3.688 2.808 5.011 0.011 13 0 "[ . 1 . 2]" 1
1343 1 28 LEU QD 1 74 TYR HA 4.500 . 5.000 4.779 3.933 5.027 0.027 10 0 "[ . 1 . 2]" 1
1344 1 28 LEU QD 1 74 TYR QB 4.500 . 5.000 2.742 2.042 3.379 . 0 0 "[ . 1 . 2]" 1
1345 1 28 LEU QD 1 74 TYR HD1 4.500 . 5.000 3.623 2.749 4.340 . 0 0 "[ . 1 . 2]" 1
1346 1 28 LEU QB 1 74 TYR HD2 5.200 . 5.700 5.616 4.322 5.734 0.034 5 0 "[ . 1 . 2]" 1
1347 1 28 LEU QD 1 74 TYR H 5.200 . 5.700 4.720 3.807 5.225 . 0 0 "[ . 1 . 2]" 1
1348 1 29 SER QB 1 30 LYS H 3.800 . 4.300 2.943 2.454 3.476 . 0 0 "[ . 1 . 2]" 1
1349 1 29 SER HB3 1 30 LYS H 4.500 . 5.000 3.374 2.499 3.982 . 0 0 "[ . 1 . 2]" 1
1350 1 29 SER HB2 1 30 LYS H 4.500 . 5.000 3.595 2.577 4.064 . 0 0 "[ . 1 . 2]" 1
1351 1 29 SER HA 1 31 LYS H 4.500 . 5.000 4.344 4.226 4.490 . 0 0 "[ . 1 . 2]" 1
1352 1 29 SER QB 1 31 LYS H 4.500 . 5.000 3.030 2.705 3.412 . 0 0 "[ . 1 . 2]" 1
1353 1 29 SER H 1 32 GLU HB3 4.500 . 5.000 3.561 3.311 3.813 . 0 0 "[ . 1 . 2]" 1
1354 1 29 SER HB3 1 32 GLU HB2 4.500 . 5.000 3.967 2.862 4.888 . 0 0 "[ . 1 . 2]" 1
1355 1 29 SER HB2 1 32 GLU HB2 4.500 . 5.000 4.028 2.745 4.967 . 0 0 "[ . 1 . 2]" 1
1356 1 29 SER H 1 32 GLU HB2 4.500 . 5.000 2.057 1.795 2.380 0.005 15 0 "[ . 1 . 2]" 1
1357 1 29 SER H 1 32 GLU H 4.500 . 5.000 3.437 3.148 3.941 . 0 0 "[ . 1 . 2]" 1
1358 1 29 SER HA 1 68 GLU HG3 4.500 . 5.000 3.478 2.242 4.441 . 0 0 "[ . 1 . 2]" 1
1359 1 29 SER QB 1 68 GLU HG3 4.500 . 5.000 4.595 3.096 5.030 0.030 15 0 "[ . 1 . 2]" 1
1360 1 30 LYS HA 1 30 LYS QE 5.200 . 5.700 4.393 3.837 4.731 . 0 0 "[ . 1 . 2]" 1
1361 1 30 LYS H 1 31 LYS H 4.500 . 5.000 2.827 2.750 2.899 . 0 0 "[ . 1 . 2]" 1
1362 1 30 LYS HA 1 33 LEU QD 3.800 . 4.300 3.200 2.935 3.382 . 0 0 "[ . 1 . 2]" 1
1363 1 30 LYS QB 1 33 LEU QD 4.500 . 5.000 4.473 4.118 4.664 . 0 0 "[ . 1 . 2]" 1
1364 1 30 LYS QG 1 33 LEU QD 4.500 . 5.000 3.651 3.124 4.153 . 0 0 "[ . 1 . 2]" 1
1365 1 30 LYS H 1 33 LEU QD 4.500 . 5.000 5.010 4.972 5.025 0.025 9 0 "[ . 1 . 2]" 1
1366 1 30 LYS QE 1 54 VAL QG 3.800 . 4.300 2.793 1.962 4.172 . 0 0 "[ . 1 . 2]" 1
1367 1 30 LYS QG 1 54 VAL QG 3.800 . 4.300 3.189 2.270 4.313 0.013 1 0 "[ . 1 . 2]" 1
1368 1 30 LYS QE 1 55 ASP HA 3.800 . 4.300 2.794 2.250 3.970 . 0 0 "[ . 1 . 2]" 1
1369 1 30 LYS QG 1 58 MET ME 2.800 . 3.300 2.595 2.029 3.304 0.004 9 0 "[ . 1 . 2]" 1
1370 1 30 LYS QE 1 58 MET HG3 4.500 . 5.000 3.821 3.426 5.045 0.045 12 0 "[ . 1 . 2]" 1
1371 1 30 LYS QG 1 58 MET HG3 4.500 . 5.000 4.541 4.041 5.010 0.010 6 0 "[ . 1 . 2]" 1
1372 1 30 LYS QB 1 58 MET HG2 4.500 . 5.000 4.180 3.756 4.798 . 0 0 "[ . 1 . 2]" 1
1373 1 30 LYS QE 1 58 MET HG2 4.500 . 5.000 2.477 2.130 3.711 . 0 0 "[ . 1 . 2]" 1
1374 1 30 LYS QG 1 58 MET HG2 4.500 . 5.000 3.086 2.442 3.618 . 0 0 "[ . 1 . 2]" 1
1375 1 31 LYS H 1 31 LYS HB3 3.800 . 4.300 2.563 2.546 2.603 . 0 0 "[ . 1 . 2]" 1
1376 1 31 LYS H 1 31 LYS HB2 3.800 . 4.300 2.538 2.525 2.562 . 0 0 "[ . 1 . 2]" 1
1377 1 31 LYS HB3 1 31 LYS HD3 2.800 . 3.300 2.367 2.335 2.387 . 0 0 "[ . 1 . 2]" 1
1378 1 31 LYS HB2 1 31 LYS HE3 5.200 . 5.700 4.493 4.340 4.642 . 0 0 "[ . 1 . 2]" 1
1379 1 31 LYS HE3 1 31 LYS HG2 3.800 . 4.300 2.599 2.291 2.942 . 0 0 "[ . 1 . 2]" 1
1380 1 31 LYS HB2 1 31 LYS HE2 5.200 . 5.700 4.816 4.690 4.935 . 0 0 "[ . 1 . 2]" 1
1381 1 31 LYS HE2 1 31 LYS HG2 3.800 . 4.300 3.004 2.403 3.599 . 0 0 "[ . 1 . 2]" 1
1382 1 31 LYS HA 1 31 LYS HG2 3.800 . 4.300 2.893 2.859 2.905 . 0 0 "[ . 1 . 2]" 1
1383 1 31 LYS H 1 31 LYS HG2 4.500 . 5.000 4.450 4.443 4.462 . 0 0 "[ . 1 . 2]" 1
1384 1 31 LYS HD3 1 32 GLU HA 3.800 . 4.300 4.339 4.336 4.341 0.041 6 0 "[ . 1 . 2]" 1
1385 1 31 LYS QE 1 32 GLU HA 3.800 . 4.300 4.342 4.338 4.348 0.048 1 0 "[ . 1 . 2]" 1
1386 1 31 LYS HD3 1 32 GLU QG 4.500 . 5.000 3.404 3.277 3.533 . 0 0 "[ . 1 . 2]" 1
1387 1 31 LYS QE 1 32 GLU QG 4.500 . 5.000 4.274 4.118 4.395 . 0 0 "[ . 1 . 2]" 1
1388 1 31 LYS HA 1 32 GLU H 3.800 . 4.300 3.565 3.530 3.587 . 0 0 "[ . 1 . 2]" 1
1389 1 31 LYS HB3 1 32 GLU H 3.800 . 4.300 2.204 2.153 2.258 . 0 0 "[ . 1 . 2]" 1
1390 1 31 LYS HD3 1 32 GLU H 4.500 . 5.000 4.000 3.946 4.083 . 0 0 "[ . 1 . 2]" 1
1391 1 31 LYS HG2 1 32 GLU H 4.500 . 5.000 3.482 3.428 3.538 . 0 0 "[ . 1 . 2]" 1
1392 1 31 LYS H 1 32 GLU H 4.500 . 5.000 2.754 2.684 2.801 . 0 0 "[ . 1 . 2]" 1
1393 1 31 LYS HD3 1 35 GLU HG3 4.500 . 5.000 4.768 4.451 4.974 . 0 0 "[ . 1 . 2]" 1
1394 1 31 LYS QE 1 35 GLU HG3 3.800 . 4.300 2.880 2.619 3.030 . 0 0 "[ . 1 . 2]" 1
1395 1 31 LYS HE3 1 35 GLU HG3 4.500 . 5.000 3.358 2.640 3.972 . 0 0 "[ . 1 . 2]" 1
1396 1 31 LYS HE2 1 35 GLU HG3 4.500 . 5.000 3.815 2.758 4.802 . 0 0 "[ . 1 . 2]" 1
1397 1 31 LYS HG3 1 35 GLU HG3 4.500 . 5.000 3.956 3.501 4.257 . 0 0 "[ . 1 . 2]" 1
1398 1 31 LYS HG2 1 35 GLU HG3 4.500 . 5.000 2.954 2.688 3.258 . 0 0 "[ . 1 . 2]" 1
1399 1 31 LYS HD3 1 35 GLU HG2 5.200 . 5.700 5.442 5.200 5.644 . 0 0 "[ . 1 . 2]" 1
1400 1 31 LYS QE 1 35 GLU HG2 4.500 . 5.000 3.961 3.668 4.330 . 0 0 "[ . 1 . 2]" 1
1401 1 31 LYS HG3 1 35 GLU HG2 4.500 . 5.000 3.832 3.755 3.938 . 0 0 "[ . 1 . 2]" 1
1402 1 31 LYS HG2 1 35 GLU HG2 4.500 . 5.000 3.098 2.918 3.243 . 0 0 "[ . 1 . 2]" 1
1403 1 32 GLU H 1 32 GLU HB3 3.800 . 4.300 3.582 3.542 3.602 . 0 0 "[ . 1 . 2]" 1
1404 1 32 GLU H 1 32 GLU QG 4.500 . 5.000 2.125 2.040 2.193 . 0 0 "[ . 1 . 2]" 1
1405 1 32 GLU HB2 1 33 LEU HB3 4.500 . 5.000 4.950 4.866 5.010 0.010 8 0 "[ . 1 . 2]" 1
1406 1 32 GLU HB2 1 33 LEU QD 4.500 . 5.000 4.995 4.846 5.057 0.057 12 0 "[ . 1 . 2]" 1
1407 1 32 GLU HB3 1 33 LEU H 3.800 . 4.300 3.585 3.514 3.669 . 0 0 "[ . 1 . 2]" 1
1408 1 32 GLU H 1 33 LEU H 4.500 . 5.000 2.633 2.600 2.682 . 0 0 "[ . 1 . 2]" 1
1409 1 32 GLU HB3 1 36 LEU HB2 5.200 . 5.700 5.229 4.684 5.588 . 0 0 "[ . 1 . 2]" 1
1410 1 32 GLU HA 1 36 LEU QD 4.500 . 5.000 4.060 3.370 4.470 . 0 0 "[ . 1 . 2]" 1
1411 1 32 GLU HB3 1 36 LEU QD 4.500 . 5.000 3.025 2.408 3.402 . 0 0 "[ . 1 . 2]" 1
1412 1 32 GLU HB3 1 36 LEU HG 5.200 . 5.700 3.766 3.381 4.128 . 0 0 "[ . 1 . 2]" 1
1413 1 33 LEU H 1 33 LEU HB3 3.800 . 4.300 2.541 2.439 2.601 . 0 0 "[ . 1 . 2]" 1
1414 1 33 LEU H 1 33 LEU HB2 3.800 . 4.300 2.352 2.278 2.512 . 0 0 "[ . 1 . 2]" 1
1415 1 33 LEU HA 1 33 LEU QD 3.800 . 4.300 2.725 2.053 3.001 . 0 0 "[ . 1 . 2]" 1
1416 1 33 LEU H 1 33 LEU QD 4.500 . 5.000 3.660 3.613 3.686 . 0 0 "[ . 1 . 2]" 1
1417 1 33 LEU HA 1 33 LEU MD1 4.500 . 5.000 3.101 2.062 3.530 . 0 0 "[ . 1 . 2]" 1
1418 1 33 LEU HA 1 33 LEU MD2 4.500 . 5.000 3.385 3.154 3.821 . 0 0 "[ . 1 . 2]" 1
1419 1 33 LEU H 1 33 LEU HG 4.500 . 5.000 4.320 4.278 4.402 . 0 0 "[ . 1 . 2]" 1
1420 1 33 LEU HA 1 34 LYS HA 5.200 . 5.700 4.829 4.804 4.855 . 0 0 "[ . 1 . 2]" 1
1421 1 33 LEU QD 1 34 LYS HA 3.800 . 4.300 3.311 2.907 4.190 . 0 0 "[ . 1 . 2]" 1
1422 1 33 LEU HB2 1 34 LYS H 4.500 . 5.000 3.702 3.642 3.799 . 0 0 "[ . 1 . 2]" 1
1423 1 33 LEU QD 1 34 LYS H 3.800 . 4.300 3.393 3.166 3.799 . 0 0 "[ . 1 . 2]" 1
1424 1 33 LEU HG 1 34 LYS H 4.500 . 5.000 4.310 3.547 4.653 . 0 0 "[ . 1 . 2]" 1
1425 1 33 LEU H 1 34 LYS H 3.800 . 4.300 2.607 2.531 2.696 . 0 0 "[ . 1 . 2]" 1
1426 1 33 LEU QD 1 35 GLU H 4.500 . 5.000 4.935 4.844 5.090 0.090 5 0 "[ . 1 . 2]" 1
1427 1 33 LEU HA 1 36 LEU HB2 4.500 . 5.000 2.743 2.470 2.918 . 0 0 "[ . 1 . 2]" 1
1428 1 33 LEU HA 1 36 LEU QD 4.500 . 5.000 2.859 2.338 3.900 . 0 0 "[ . 1 . 2]" 1
1429 1 33 LEU H 1 36 LEU QD 4.500 . 5.000 4.310 3.840 4.739 . 0 0 "[ . 1 . 2]" 1
1430 1 33 LEU HA 1 36 LEU MD1 4.500 . 5.000 2.983 2.342 5.009 0.009 15 0 "[ . 1 . 2]" 1
1431 1 33 LEU HA 1 36 LEU MD2 4.500 . 5.000 4.890 4.011 5.031 0.031 13 0 "[ . 1 . 2]" 1
1432 1 33 LEU HA 1 36 LEU HG 4.500 . 5.000 3.906 3.654 4.346 . 0 0 "[ . 1 . 2]" 1
1433 1 33 LEU HA 1 36 LEU H 4.500 . 5.000 3.454 3.329 3.544 . 0 0 "[ . 1 . 2]" 1
1434 1 33 LEU QD 1 36 LEU H 5.200 . 5.700 4.627 4.224 5.036 . 0 0 "[ . 1 . 2]" 1
1435 1 33 LEU HA 1 37 LEU QD 5.200 . 5.700 3.831 2.943 4.261 . 0 0 "[ . 1 . 2]" 1
1436 1 33 LEU QD 1 37 LEU QD 3.800 . 4.300 1.972 1.825 2.286 . 0 0 "[ . 1 . 2]" 1
1437 1 33 LEU HG 1 37 LEU QD 5.200 . 5.700 2.745 2.192 3.296 . 0 0 "[ . 1 . 2]" 1
1438 1 33 LEU HA 1 37 LEU H 4.500 . 5.000 3.914 3.667 4.065 . 0 0 "[ . 1 . 2]" 1
1439 1 33 LEU QD 1 58 MET HA 4.500 . 5.000 3.220 2.637 3.678 . 0 0 "[ . 1 . 2]" 1
1440 1 33 LEU QD 1 58 MET HG2 4.500 . 5.000 4.865 3.822 5.019 0.019 18 0 "[ . 1 . 2]" 1
1441 1 33 LEU QD 1 69 VAL MG1 4.500 . 5.000 2.472 1.986 2.883 . 0 0 "[ . 1 . 2]" 1
1442 1 34 LYS H 1 34 LYS HB3 3.800 . 4.300 2.286 2.257 2.332 . 0 0 "[ . 1 . 2]" 1
1443 1 34 LYS H 1 34 LYS HB2 3.800 . 4.300 2.689 2.606 2.753 . 0 0 "[ . 1 . 2]" 1
1444 1 34 LYS HA 1 34 LYS QD 3.800 . 4.300 2.201 2.107 2.276 . 0 0 "[ . 1 . 2]" 1
1445 1 34 LYS H 1 34 LYS QD 4.500 . 5.000 4.208 4.116 4.278 . 0 0 "[ . 1 . 2]" 1
1446 1 34 LYS HA 1 34 LYS QE 4.500 . 5.000 4.166 4.055 4.237 . 0 0 "[ . 1 . 2]" 1
1447 1 34 LYS HB3 1 34 LYS QE 4.500 . 5.000 4.619 4.274 4.716 . 0 0 "[ . 1 . 2]" 1
1448 1 34 LYS HA 1 34 LYS HE3 5.200 . 5.700 4.749 4.594 4.865 . 0 0 "[ . 1 . 2]" 1
1449 1 34 LYS HA 1 34 LYS HE2 5.200 . 5.700 4.615 4.485 4.800 . 0 0 "[ . 1 . 2]" 1
1450 1 34 LYS HA 1 34 LYS HG3 3.800 . 4.300 3.321 3.268 3.354 . 0 0 "[ . 1 . 2]" 1
1451 1 34 LYS H 1 34 LYS HG3 4.500 . 5.000 4.282 4.261 4.317 . 0 0 "[ . 1 . 2]" 1
1452 1 34 LYS HA 1 35 GLU HA 5.200 . 5.700 4.677 4.657 4.698 . 0 0 "[ . 1 . 2]" 1
1453 1 34 LYS HB2 1 35 GLU HG2 5.200 . 5.700 4.776 4.691 4.873 . 0 0 "[ . 1 . 2]" 1
1454 1 34 LYS QD 1 35 GLU HG2 4.500 . 5.000 4.767 4.752 4.781 . 0 0 "[ . 1 . 2]" 1
1455 1 34 LYS HG3 1 35 GLU HG2 4.500 . 5.000 3.052 2.972 3.132 . 0 0 "[ . 1 . 2]" 1
1456 1 34 LYS HB3 1 35 GLU H 3.800 . 4.300 2.584 2.484 2.644 . 0 0 "[ . 1 . 2]" 1
1457 1 34 LYS HB2 1 35 GLU H 4.500 . 5.000 3.931 3.864 3.987 . 0 0 "[ . 1 . 2]" 1
1458 1 34 LYS QD 1 35 GLU H 4.500 . 5.000 4.184 4.143 4.218 . 0 0 "[ . 1 . 2]" 1
1459 1 34 LYS HD3 1 35 GLU H 5.200 . 5.700 5.180 5.053 5.252 . 0 0 "[ . 1 . 2]" 1
1460 1 34 LYS HD2 1 35 GLU H . . 5.000 4.417 4.370 4.477 . 0 0 "[ . 1 . 2]" 1
1461 1 34 LYS HG3 1 35 GLU H 3.800 . 4.300 3.255 3.155 3.416 . 0 0 "[ . 1 . 2]" 1
1462 1 34 LYS H 1 35 GLU H 3.800 . 4.300 2.683 2.570 2.750 . 0 0 "[ . 1 . 2]" 1
1463 1 34 LYS QD 1 38 GLN HB3 3.800 . 4.300 3.324 3.141 3.457 . 0 0 "[ . 1 . 2]" 1
1464 1 34 LYS QD 1 38 GLN HB2 4.500 . 5.000 2.205 2.125 2.246 . 0 0 "[ . 1 . 2]" 1
1465 1 34 LYS QD 1 38 GLN HG3 5.200 . 5.700 4.253 4.113 4.349 . 0 0 "[ . 1 . 2]" 1
1466 1 34 LYS QD 1 38 GLN HG2 4.500 . 5.000 4.889 4.872 4.910 . 0 0 "[ . 1 . 2]" 1
1467 1 34 LYS QE 1 47 ALA HA 5.200 . 5.700 5.077 4.563 5.705 0.005 4 0 "[ . 1 . 2]" 1
1468 1 34 LYS QE 1 47 ALA MB 3.800 . 4.300 2.735 2.024 4.324 0.024 11 0 "[ . 1 . 2]" 1
1469 1 34 LYS HB2 1 54 VAL HA 5.200 . 5.700 5.717 5.708 5.726 0.026 7 0 "[ . 1 . 2]" 1
1470 1 34 LYS QD 1 54 VAL HA 5.200 . 5.700 4.558 4.292 4.800 . 0 0 "[ . 1 . 2]" 1
1471 1 34 LYS QD 1 54 VAL HB 4.500 . 5.000 3.849 2.700 4.174 . 0 0 "[ . 1 . 2]" 1
1472 1 34 LYS QE 1 54 VAL HB 3.800 . 4.300 4.209 3.957 4.328 0.028 7 0 "[ . 1 . 2]" 1
1473 1 34 LYS HA 1 54 VAL QG 3.800 . 4.300 2.998 2.642 3.309 . 0 0 "[ . 1 . 2]" 1
1474 1 34 LYS QD 1 54 VAL QG 2.800 . 3.300 1.892 1.828 1.948 . 0 0 "[ . 1 . 2]" 1
1475 1 34 LYS QE 1 54 VAL QG 3.800 . 4.300 2.210 2.104 2.457 . 0 0 "[ . 1 . 2]" 1
1476 1 34 LYS HA 1 54 VAL MG1 3.800 . 4.300 3.270 2.830 3.522 . 0 0 "[ . 1 . 2]" 1
1477 1 34 LYS HB2 1 54 VAL MG1 3.800 . 4.300 2.470 2.220 3.766 . 0 0 "[ . 1 . 2]" 1
1478 1 34 LYS HD3 1 54 VAL MG1 . . 4.300 2.349 2.003 2.804 . 0 0 "[ . 1 . 2]" 1
1479 1 34 LYS HD2 1 54 VAL MG1 4.500 . 5.000 3.774 2.720 4.249 . 0 0 "[ . 1 . 2]" 1
1480 1 34 LYS HG2 1 54 VAL MG1 4.500 . 5.000 3.601 3.286 3.983 . 0 0 "[ . 1 . 2]" 1
1481 1 34 LYS HA 1 54 VAL MG2 3.800 . 4.300 3.533 3.004 4.312 0.012 13 0 "[ . 1 . 2]" 1
1482 1 34 LYS HB2 1 54 VAL MG2 3.800 . 4.300 3.614 3.299 3.876 . 0 0 "[ . 1 . 2]" 1
1483 1 34 LYS HD3 1 54 VAL MG2 . . 4.300 2.065 1.992 2.567 . 0 0 "[ . 1 . 2]" 1
1484 1 34 LYS HD2 1 54 VAL MG2 4.500 . 5.000 3.155 2.844 4.138 . 0 0 "[ . 1 . 2]" 1
1485 1 34 LYS HG2 1 54 VAL MG2 4.500 . 5.000 3.861 3.636 4.037 . 0 0 "[ . 1 . 2]" 1
1486 1 35 GLU H 1 35 GLU HG2 3.800 . 4.300 2.152 2.117 2.219 . 0 0 "[ . 1 . 2]" 1
1487 1 35 GLU H 1 36 LEU QD 5.200 . 5.700 4.717 3.812 4.931 . 0 0 "[ . 1 . 2]" 1
1488 1 35 GLU H 1 36 LEU H 3.800 . 4.300 2.680 2.643 2.724 . 0 0 "[ . 1 . 2]" 1
1489 1 36 LEU H 1 36 LEU HB3 3.800 . 4.300 3.598 3.504 3.632 . 0 0 "[ . 1 . 2]" 1
1490 1 36 LEU HA 1 36 LEU QD 3.800 . 4.300 2.101 1.974 2.261 . 0 0 "[ . 1 . 2]" 1
1491 1 36 LEU HB3 1 36 LEU QD 2.800 . 3.300 2.067 2.016 2.177 . 0 0 "[ . 1 . 2]" 1
1492 1 36 LEU H 1 36 LEU QD 3.800 . 4.300 3.053 2.049 3.232 . 0 0 "[ . 1 . 2]" 1
1493 1 36 LEU HA 1 36 LEU MD1 4.500 . 5.000 3.659 2.390 3.823 . 0 0 "[ . 1 . 2]" 1
1494 1 36 LEU HA 1 36 LEU MD2 4.500 . 5.000 2.124 2.016 2.278 . 0 0 "[ . 1 . 2]" 1
1495 1 36 LEU HB3 1 37 LEU QD 4.500 . 5.000 3.294 2.642 3.682 . 0 0 "[ . 1 . 2]" 1
1496 1 36 LEU HB3 1 37 LEU H 4.500 . 5.000 3.404 3.096 3.590 . 0 0 "[ . 1 . 2]" 1
1497 1 36 LEU HB2 1 37 LEU H 4.500 . 5.000 2.554 2.450 2.716 . 0 0 "[ . 1 . 2]" 1
1498 1 36 LEU H 1 37 LEU H 4.500 . 5.000 2.765 2.717 2.824 . 0 0 "[ . 1 . 2]" 1
1499 1 36 LEU HA 1 39 THR HB 4.500 . 5.000 4.415 4.168 4.815 . 0 0 "[ . 1 . 2]" 1
1500 1 36 LEU HA 1 39 THR MG 4.500 . 5.000 2.361 2.180 2.535 . 0 0 "[ . 1 . 2]" 1
1501 1 36 LEU HB3 1 39 THR MG 4.500 . 5.000 4.324 4.111 4.560 . 0 0 "[ . 1 . 2]" 1
1502 1 36 LEU HB2 1 39 THR MG 4.500 . 5.000 4.866 4.674 5.008 0.008 18 0 "[ . 1 . 2]" 1
1503 1 36 LEU QD 1 40 GLU QB 5.200 . 5.700 4.046 3.700 4.310 . 0 0 "[ . 1 . 2]" 1
1504 1 36 LEU HA 1 40 GLU QG 4.500 . 5.000 2.761 2.492 3.720 . 0 0 "[ . 1 . 2]" 1
1505 1 36 LEU HB3 1 40 GLU QG 4.500 . 5.000 3.668 3.109 4.857 . 0 0 "[ . 1 . 2]" 1
1506 1 36 LEU QD 1 40 GLU QG 3.800 . 4.300 2.842 2.232 3.964 . 0 0 "[ . 1 . 2]" 1
1507 1 37 LEU HA 1 37 LEU QD 3.800 . 4.300 2.161 2.005 2.818 . 0 0 "[ . 1 . 2]" 1
1508 1 37 LEU H 1 37 LEU QD 3.800 . 4.300 2.695 1.790 3.001 0.010 6 0 "[ . 1 . 2]" 1
1509 1 37 LEU HA 1 37 LEU MD1 4.500 . 5.000 3.484 2.222 3.776 . 0 0 "[ . 1 . 2]" 1
1510 1 37 LEU H 1 37 LEU MD1 4.500 . 5.000 3.234 1.795 3.738 0.005 6 0 "[ . 1 . 2]" 1
1511 1 37 LEU HA 1 37 LEU MD2 4.500 . 5.000 2.443 2.013 3.761 . 0 0 "[ . 1 . 2]" 1
1512 1 37 LEU H 1 37 LEU MD2 4.500 . 5.000 3.303 3.036 4.030 . 0 0 "[ . 1 . 2]" 1
1513 1 37 LEU H 1 37 LEU HG 4.500 . 5.000 2.555 2.088 3.880 . 0 0 "[ . 1 . 2]" 1
1514 1 37 LEU H 1 38 GLN HB3 4.500 . 5.000 4.782 4.727 4.867 . 0 0 "[ . 1 . 2]" 1
1515 1 37 LEU QB 1 38 GLN H 4.500 . 5.000 2.493 2.382 2.611 . 0 0 "[ . 1 . 2]" 1
1516 1 37 LEU MD1 1 38 GLN H 4.500 . 5.000 4.355 3.855 4.628 . 0 0 "[ . 1 . 2]" 1
1517 1 37 LEU MD2 1 38 GLN H 4.500 . 5.000 4.539 4.479 4.711 . 0 0 "[ . 1 . 2]" 1
1518 1 37 LEU H 1 38 GLN H 4.500 . 5.000 2.582 2.541 2.627 . 0 0 "[ . 1 . 2]" 1
1519 1 37 LEU HA 1 41 LEU QD 3.800 . 4.300 3.028 2.233 4.218 . 0 0 "[ . 1 . 2]" 1
1520 1 37 LEU HA 1 41 LEU MD1 5.200 . 5.700 3.201 2.251 5.720 0.020 20 0 "[ . 1 . 2]" 1
1521 1 37 LEU HA 1 41 LEU MD2 5.200 . 5.700 4.388 3.459 5.293 . 0 0 "[ . 1 . 2]" 1
1522 1 37 LEU QB 1 45 LEU QB 4.500 . 5.000 2.744 2.245 4.532 . 0 0 "[ . 1 . 2]" 1
1523 1 37 LEU QB 1 45 LEU QD 3.800 . 4.300 2.239 1.962 3.753 . 0 0 "[ . 1 . 2]" 1
1524 1 37 LEU QD 1 74 TYR HD1 4.500 . 5.000 3.730 3.415 4.185 . 0 0 "[ . 1 . 2]" 1
1525 1 37 LEU QD 1 74 TYR HE1 3.800 . 4.300 2.107 1.963 2.422 . 0 0 "[ . 1 . 2]" 1
1526 1 37 LEU HG 1 74 TYR HE1 4.500 . 5.000 3.395 2.663 4.365 . 0 0 "[ . 1 . 2]" 1
1527 1 37 LEU QD 1 78 VAL HA 4.500 . 5.000 4.473 4.043 4.997 . 0 0 "[ . 1 . 2]" 1
1528 1 37 LEU MD1 1 78 VAL HA 5.200 . 5.700 5.506 5.025 5.724 0.024 2 0 "[ . 1 . 2]" 1
1529 1 37 LEU MD2 1 78 VAL HA 5.200 . 5.700 4.751 4.190 5.536 . 0 0 "[ . 1 . 2]" 1
1530 1 38 GLN H 1 38 GLN HB3 3.800 . 4.300 2.534 2.500 2.589 . 0 0 "[ . 1 . 2]" 1
1531 1 38 GLN H 1 38 GLN HB2 3.800 . 4.300 2.478 2.452 2.511 . 0 0 "[ . 1 . 2]" 1
1532 1 38 GLN HA 1 38 GLN HG3 3.800 . 4.300 2.447 2.414 2.478 . 0 0 "[ . 1 . 2]" 1
1533 1 38 GLN HA 1 38 GLN HG2 3.800 . 4.300 3.021 3.000 3.048 . 0 0 "[ . 1 . 2]" 1
1534 1 38 GLN H 1 38 GLN HG2 4.500 . 5.000 4.417 4.393 4.452 . 0 0 "[ . 1 . 2]" 1
1535 1 38 GLN HA 1 39 THR HA 4.500 . 5.000 4.593 4.540 4.618 . 0 0 "[ . 1 . 2]" 1
1536 1 38 GLN HB3 1 39 THR HA 4.500 . 5.000 4.309 4.233 4.361 . 0 0 "[ . 1 . 2]" 1
1537 1 38 GLN HG3 1 39 THR HA 4.500 . 5.000 5.017 5.009 5.026 0.026 15 0 "[ . 1 . 2]" 1
1538 1 38 GLN HG2 1 39 THR HA 4.500 . 5.000 3.585 3.540 3.650 . 0 0 "[ . 1 . 2]" 1
1539 1 38 GLN HG2 1 39 THR HB 5.200 . 5.700 4.406 4.344 4.497 . 0 0 "[ . 1 . 2]" 1
1540 1 38 GLN HB3 1 39 THR MG 4.500 . 5.000 4.502 4.210 4.695 . 0 0 "[ . 1 . 2]" 1
1541 1 38 GLN HB3 1 39 THR H 4.500 . 5.000 2.605 2.539 2.653 . 0 0 "[ . 1 . 2]" 1
1542 1 38 GLN HB2 1 39 THR H 4.500 . 5.000 3.888 3.839 3.920 . 0 0 "[ . 1 . 2]" 1
1543 1 38 GLN HG2 1 39 THR H 4.500 . 5.000 3.722 3.692 3.769 . 0 0 "[ . 1 . 2]" 1
1544 1 38 GLN H 1 39 THR H 4.500 . 5.000 2.756 2.716 2.792 . 0 0 "[ . 1 . 2]" 1
1545 1 38 GLN HA 1 40 GLU H 4.500 . 5.000 4.979 4.584 5.027 0.027 6 0 "[ . 1 . 2]" 1
1546 1 38 GLN HB2 1 47 ALA MB 4.500 . 5.000 3.784 2.892 5.007 0.007 18 0 "[ . 1 . 2]" 1
1547 1 38 GLN HG3 1 47 ALA MB 4.500 . 5.000 3.477 2.932 4.588 . 0 0 "[ . 1 . 2]" 1
1548 1 39 THR H 1 39 THR MG 3.800 . 4.300 2.382 2.179 2.575 . 0 0 "[ . 1 . 2]" 1
1549 1 39 THR HA 1 40 GLU HA 4.500 . 5.000 4.690 4.521 4.749 . 0 0 "[ . 1 . 2]" 1
1550 1 39 THR MG 1 40 GLU HA 3.800 . 4.300 3.008 2.947 3.773 . 0 0 "[ . 1 . 2]" 1
1551 1 39 THR MG 1 40 GLU QB 3.800 . 4.300 3.356 3.313 3.451 . 0 0 "[ . 1 . 2]" 1
1552 1 39 THR MG 1 40 GLU HB3 4.500 . 5.000 4.151 4.099 4.353 . 0 0 "[ . 1 . 2]" 1
1553 1 39 THR MG 1 40 GLU HB2 4.500 . 5.000 3.546 3.451 3.671 . 0 0 "[ . 1 . 2]" 1
1554 1 39 THR MG 1 40 GLU QG 3.800 . 4.300 2.007 1.943 2.105 . 0 0 "[ . 1 . 2]" 1
1555 1 39 THR MG 1 40 GLU H 4.500 . 5.000 1.811 1.790 2.101 0.010 9 0 "[ . 1 . 2]" 1
1556 1 39 THR H 1 40 GLU H 3.800 . 4.300 2.556 2.495 2.635 . 0 0 "[ . 1 . 2]" 1
1557 1 40 GLU H 1 40 GLU QG 4.500 . 5.000 2.218 2.140 2.557 . 0 0 "[ . 1 . 2]" 1
1558 1 40 GLU H 1 41 LEU QD 4.500 . 5.000 4.169 3.596 4.933 . 0 0 "[ . 1 . 2]" 1
1559 1 41 LEU HA 1 41 LEU QD 3.800 . 4.300 2.465 1.977 2.870 . 0 0 "[ . 1 . 2]" 1
1560 1 41 LEU HA 1 41 LEU MD1 4.500 . 5.000 3.216 2.039 3.819 . 0 0 "[ . 1 . 2]" 1
1561 1 41 LEU HA 1 41 LEU MD2 4.500 . 5.000 2.968 2.048 3.681 . 0 0 "[ . 1 . 2]" 1
1562 1 41 LEU HA 1 42 SER QB 4.500 . 5.000 4.671 4.368 5.006 0.006 11 0 "[ . 1 . 2]" 1
1563 1 41 LEU HB2 1 42 SER H 4.500 . 5.000 4.325 3.653 4.465 . 0 0 "[ . 1 . 2]" 1
1564 1 41 LEU QD 1 42 SER H 4.500 . 5.000 4.196 3.747 4.464 . 0 0 "[ . 1 . 2]" 1
1565 1 41 LEU HB3 1 44 PHE HA 4.500 . 5.000 4.902 4.681 5.094 0.094 11 0 "[ . 1 . 2]" 1
1566 1 41 LEU QD 1 44 PHE HA 5.200 . 5.700 4.863 4.581 5.225 . 0 0 "[ . 1 . 2]" 1
1567 1 41 LEU HA 1 44 PHE QB 4.500 . 5.000 3.767 2.256 4.270 . 0 0 "[ . 1 . 2]" 1
1568 1 41 LEU HB3 1 44 PHE QB 4.500 . 5.000 2.357 2.193 2.536 . 0 0 "[ . 1 . 2]" 1
1569 1 41 LEU HB2 1 44 PHE QB 5.200 . 5.700 3.923 3.566 4.163 . 0 0 "[ . 1 . 2]" 1
1570 1 41 LEU QD 1 44 PHE QB 4.500 . 5.000 2.397 2.149 2.696 . 0 0 "[ . 1 . 2]" 1
1571 1 41 LEU QD 1 44 PHE HD2 4.500 . 5.000 3.075 2.198 3.771 . 0 0 "[ . 1 . 2]" 1
1572 1 43 GLY HA2 1 46 ASP HA 4.500 . 5.000 4.537 4.346 4.826 . 0 0 "[ . 1 . 2]" 1
1573 1 43 GLY HA2 1 46 ASP QB 3.800 . 4.300 2.810 2.579 4.400 0.100 11 0 "[ . 1 . 2]" 1
1574 1 44 PHE HA 1 44 PHE HD1 3.800 . 4.300 2.786 2.472 3.629 . 0 0 "[ . 1 . 2]" 1
1575 1 44 PHE HA 1 45 LEU QD 4.500 . 5.000 3.977 3.698 4.498 . 0 0 "[ . 1 . 2]" 1
1576 1 44 PHE QB 1 45 LEU QD 3.800 . 4.300 2.386 2.055 3.412 . 0 0 "[ . 1 . 2]" 1
1577 1 44 PHE QB 1 45 LEU H 4.500 . 5.000 2.536 2.438 2.667 . 0 0 "[ . 1 . 2]" 1
1578 1 44 PHE H 1 45 LEU H 4.500 . 5.000 2.846 2.630 2.939 . 0 0 "[ . 1 . 2]" 1
1579 1 44 PHE HA 1 85 CYS HA 5.200 . 5.700 4.921 4.194 5.514 . 0 0 "[ . 1 . 2]" 1
1580 1 44 PHE HA 1 85 CYS QB 4.500 . 5.000 4.859 4.364 5.020 0.020 2 0 "[ . 1 . 2]" 1
1581 1 45 LEU HA 1 45 LEU QD 2.800 . 3.300 2.088 1.940 2.788 . 0 0 "[ . 1 . 2]" 1
1582 1 45 LEU H 1 45 LEU QD 4.500 . 5.000 2.484 2.089 3.250 . 0 0 "[ . 1 . 2]" 1
1583 1 45 LEU HA 1 45 LEU MD1 3.800 . 4.300 2.704 2.148 3.761 . 0 0 "[ . 1 . 2]" 1
1584 1 45 LEU HA 1 45 LEU MD2 3.800 . 4.300 2.573 2.005 3.770 . 0 0 "[ . 1 . 2]" 1
1585 1 45 LEU HB3 1 46 ASP HA 5.200 . 5.700 4.925 4.621 5.277 . 0 0 "[ . 1 . 2]" 1
1586 1 45 LEU HB2 1 46 ASP HA 5.200 . 5.700 4.795 4.383 5.010 . 0 0 "[ . 1 . 2]" 1
1587 1 45 LEU QB 1 46 ASP H 4.500 . 5.000 3.354 1.810 3.507 . 0 0 "[ . 1 . 2]" 1
1588 1 45 LEU HB3 1 46 ASP H 4.500 . 5.000 4.114 3.043 4.357 . 0 0 "[ . 1 . 2]" 1
1589 1 45 LEU HB2 1 46 ASP H 4.500 . 5.000 3.567 1.823 3.739 . 0 0 "[ . 1 . 2]" 1
1590 1 45 LEU QD 1 46 ASP H 4.500 . 5.000 4.005 3.661 4.338 . 0 0 "[ . 1 . 2]" 1
1591 1 45 LEU MD1 1 78 VAL HA 5.200 . 5.700 5.349 4.167 5.719 0.019 20 0 "[ . 1 . 2]" 1
1592 1 45 LEU MD2 1 78 VAL HA 5.200 . 5.700 5.469 4.647 5.716 0.016 18 0 "[ . 1 . 2]" 1
1593 1 45 LEU QD 1 81 LEU HB3 4.500 . 5.000 2.933 1.863 4.140 . 0 0 "[ . 1 . 2]" 1
1594 1 45 LEU QD 1 81 LEU HB2 4.500 . 5.000 3.753 2.672 4.412 . 0 0 "[ . 1 . 2]" 1
1595 1 45 LEU MD1 1 81 LEU HB2 4.500 . 5.000 4.299 2.801 5.007 0.007 13 0 "[ . 1 . 2]" 1
1596 1 45 LEU MD2 1 81 LEU HB2 4.500 . 5.000 4.183 3.374 4.979 . 0 0 "[ . 1 . 2]" 1
1597 1 45 LEU QD 1 81 LEU QD 4.500 . 5.000 2.167 1.784 2.918 0.016 20 0 "[ . 1 . 2]" 1
1598 1 45 LEU QD 1 85 CYS HA 5.200 . 5.700 4.934 3.181 5.719 0.019 15 0 "[ . 1 . 2]" 1
1599 1 45 LEU QD 1 85 CYS QB 4.500 . 5.000 4.389 2.696 5.006 0.006 6 0 "[ . 1 . 2]" 1
1600 1 46 ASP HA 1 47 ALA HA 4.500 . 5.000 4.533 4.342 5.010 0.010 11 0 "[ . 1 . 2]" 1
1601 1 46 ASP HA 1 47 ALA MB 4.500 . 5.000 4.058 3.744 4.719 . 0 0 "[ . 1 . 2]" 1
1602 1 46 ASP QB 1 49 LYS QB 4.500 . 5.000 4.241 3.649 5.022 0.022 18 0 "[ . 1 . 2]" 1
1603 1 47 ALA MB 1 48 GLN H 4.500 . 5.000 2.942 2.509 3.484 . 0 0 "[ . 1 . 2]" 1
1604 1 47 ALA HA 1 50 ASP QB 4.500 . 5.000 4.235 3.170 5.015 0.015 11 0 "[ . 1 . 2]" 1
1605 1 47 ALA MB 1 51 VAL HA 4.500 . 5.000 3.305 2.256 5.001 0.001 19 0 "[ . 1 . 2]" 1
1606 1 47 ALA HA 1 53 ALA MB 4.500 . 5.000 3.835 3.184 4.521 . 0 0 "[ . 1 . 2]" 1
1607 1 48 GLN HA 1 48 GLN QG 3.800 . 4.300 2.343 2.312 2.403 . 0 0 "[ . 1 . 2]" 1
1608 1 48 GLN QB 1 49 LYS HG2 4.500 . 5.000 3.613 2.644 4.169 . 0 0 "[ . 1 . 2]" 1
1609 1 48 GLN HB3 1 49 LYS HG2 4.500 . 5.000 4.550 3.277 5.025 0.025 1 0 "[ . 1 . 2]" 1
1610 1 48 GLN HB2 1 49 LYS HG2 4.500 . 5.000 3.954 2.791 5.030 0.030 18 0 "[ . 1 . 2]" 1
1611 1 49 LYS HA 1 49 LYS HD3 3.800 . 4.300 2.928 2.123 4.405 0.105 5 0 "[ . 1 . 2]" 1
1612 1 49 LYS HA 1 49 LYS QE 3.800 . 4.300 4.048 3.554 4.341 0.041 12 0 "[ . 1 . 2]" 1
1613 1 49 LYS QE 1 49 LYS HG2 2.800 . 3.300 2.479 2.204 3.275 . 0 0 "[ . 1 . 2]" 1
1614 1 49 LYS HA 1 49 LYS HG2 3.800 . 4.300 2.824 2.178 3.191 . 0 0 "[ . 1 . 2]" 1
1615 1 49 LYS QB 1 50 ASP QB 5.200 . 5.700 3.584 3.209 4.022 . 0 0 "[ . 1 . 2]" 1
1616 1 49 LYS QE 1 50 ASP H 5.200 . 5.700 5.581 4.506 5.761 0.061 17 0 "[ . 1 . 2]" 1
1617 1 50 ASP HA 1 51 VAL HA 4.500 . 5.000 4.521 4.371 4.756 . 0 0 "[ . 1 . 2]" 1
1618 1 50 ASP QB 1 51 VAL HA 5.200 . 5.700 4.671 4.170 4.956 . 0 0 "[ . 1 . 2]" 1
1619 1 50 ASP HA 1 51 VAL HB 4.500 . 5.000 4.548 4.431 4.741 . 0 0 "[ . 1 . 2]" 1
1620 1 50 ASP QB 1 53 ALA HA 4.500 . 5.000 3.773 3.336 4.092 . 0 0 "[ . 1 . 2]" 1
1621 1 50 ASP HB3 1 53 ALA HA 4.500 . 5.000 3.961 3.588 4.348 . 0 0 "[ . 1 . 2]" 1
1622 1 50 ASP HB2 1 53 ALA HA 4.500 . 5.000 4.808 3.783 5.063 0.063 13 0 "[ . 1 . 2]" 1
1623 1 50 ASP HA 1 53 ALA MB 4.500 . 5.000 4.130 3.995 4.289 . 0 0 "[ . 1 . 2]" 1
1624 1 50 ASP QB 1 53 ALA MB 3.800 . 4.300 1.986 1.839 2.148 . 0 0 "[ . 1 . 2]" 1
1625 1 50 ASP HB3 1 53 ALA MB 3.800 . 4.300 2.182 1.959 2.900 . 0 0 "[ . 1 . 2]" 1
1626 1 50 ASP HB2 1 53 ALA MB 3.800 . 4.300 2.491 2.014 3.367 . 0 0 "[ . 1 . 2]" 1
1627 1 50 ASP HA 1 53 ALA H 4.500 . 5.000 4.133 3.788 5.074 0.074 19 0 "[ . 1 . 2]" 1
1628 1 51 VAL HA 1 52 ASP HA 4.500 . 5.000 4.746 4.326 4.874 . 0 0 "[ . 1 . 2]" 1
1629 1 51 VAL HB 1 52 ASP HA 5.200 . 5.700 4.467 4.312 5.713 0.013 19 0 "[ . 1 . 2]" 1
1630 1 51 VAL MG1 1 52 ASP HA 4.500 . 5.000 3.343 3.087 4.069 . 0 0 "[ . 1 . 2]" 1
1631 1 51 VAL HB 1 52 ASP QB 4.500 . 5.000 4.228 3.940 4.562 . 0 0 "[ . 1 . 2]" 1
1632 1 51 VAL MG1 1 52 ASP QB 3.800 . 4.300 4.052 2.865 4.355 0.055 7 0 "[ . 1 . 2]" 1
1633 1 51 VAL MG1 1 53 ALA H 4.500 . 5.000 4.620 4.273 4.799 . 0 0 "[ . 1 . 2]" 1
1634 1 53 ALA HA 1 54 VAL HA 4.500 . 5.000 4.853 4.829 4.884 . 0 0 "[ . 1 . 2]" 1
1635 1 53 ALA MB 1 54 VAL HA 4.500 . 5.000 3.810 3.710 3.879 . 0 0 "[ . 1 . 2]" 1
1636 1 53 ALA HA 1 54 VAL QG 5.200 . 5.700 4.781 4.353 4.847 . 0 0 "[ . 1 . 2]" 1
1637 1 53 ALA MB 1 54 VAL QG 4.500 . 5.000 3.336 3.102 3.480 . 0 0 "[ . 1 . 2]" 1
1638 1 53 ALA HA 1 55 ASP H 4.500 . 5.000 4.353 4.242 4.499 . 0 0 "[ . 1 . 2]" 1
1639 1 53 ALA MB 1 55 ASP H 4.500 . 5.000 4.719 4.580 4.794 . 0 0 "[ . 1 . 2]" 1
1640 1 53 ALA HA 1 56 LYS HB2 2.800 . 3.300 2.637 2.373 2.899 . 0 0 "[ . 1 . 2]" 1
1641 1 53 ALA HA 1 56 LYS H 3.800 . 4.300 3.250 2.978 3.538 . 0 0 "[ . 1 . 2]" 1
1642 1 53 ALA HA 1 57 VAL QG 5.200 . 5.700 3.910 3.404 4.168 . 0 0 "[ . 1 . 2]" 1
1643 1 53 ALA HA 1 57 VAL H 4.500 . 5.000 4.134 3.882 4.243 . 0 0 "[ . 1 . 2]" 1
1644 1 54 VAL QG 1 55 ASP HA 4.500 . 5.000 3.220 2.992 3.299 . 0 0 "[ . 1 . 2]" 1
1645 1 54 VAL HB 1 55 ASP QB 5.200 . 5.700 4.571 4.004 5.165 . 0 0 "[ . 1 . 2]" 1
1646 1 54 VAL QG 1 55 ASP QB 4.500 . 5.000 4.180 2.800 4.369 . 0 0 "[ . 1 . 2]" 1
1647 1 54 VAL HB 1 55 ASP H 4.500 . 5.000 2.608 2.490 3.804 . 0 0 "[ . 1 . 2]" 1
1648 1 54 VAL QG 1 55 ASP H 3.800 . 4.300 3.005 1.797 3.110 0.003 13 0 "[ . 1 . 2]" 1
1649 1 54 VAL H 1 55 ASP H 4.500 . 5.000 2.807 2.668 2.889 . 0 0 "[ . 1 . 2]" 1
1650 1 54 VAL HA 1 56 LYS HB2 5.200 . 5.700 5.192 4.981 5.402 . 0 0 "[ . 1 . 2]" 1
1651 1 54 VAL QG 1 56 LYS H 5.200 . 5.700 4.501 3.867 4.583 . 0 0 "[ . 1 . 2]" 1
1652 1 54 VAL HA 1 57 VAL H 4.500 . 5.000 3.443 3.108 3.694 . 0 0 "[ . 1 . 2]" 1
1653 1 54 VAL QG 1 58 MET HG3 4.500 . 5.000 4.719 4.319 4.994 . 0 0 "[ . 1 . 2]" 1
1654 1 54 VAL QG 1 58 MET HG2 3.800 . 4.300 4.144 3.832 4.317 0.017 9 0 "[ . 1 . 2]" 1
1655 1 54 VAL HA 1 58 MET H 4.500 . 5.000 4.103 3.968 4.199 . 0 0 "[ . 1 . 2]" 1
1656 1 54 VAL QG 1 58 MET H 4.500 . 5.000 3.855 3.644 4.527 . 0 0 "[ . 1 . 2]" 1
1657 1 55 ASP H 1 55 ASP HB3 3.800 . 4.300 3.396 2.610 3.597 . 0 0 "[ . 1 . 2]" 1
1658 1 55 ASP H 1 55 ASP HB2 3.800 . 4.300 2.445 2.426 2.464 . 0 0 "[ . 1 . 2]" 1
1659 1 55 ASP QB 1 56 LYS HA 4.500 . 5.000 3.887 3.835 4.005 . 0 0 "[ . 1 . 2]" 1
1660 1 55 ASP H 1 56 LYS HB2 4.500 . 5.000 4.875 4.769 4.926 . 0 0 "[ . 1 . 2]" 1
1661 1 55 ASP QB 1 56 LYS HD3 5.200 . 5.700 3.828 3.498 5.364 . 0 0 "[ . 1 . 2]" 1
1662 1 55 ASP QB 1 56 LYS HD2 5.200 . 5.700 5.023 4.829 5.706 0.006 6 0 "[ . 1 . 2]" 1
1663 1 55 ASP QB 1 56 LYS HG3 5.200 . 5.700 4.678 3.620 4.918 . 0 0 "[ . 1 . 2]" 1
1664 1 55 ASP QB 1 56 LYS HG2 4.500 . 5.000 3.264 3.086 3.536 . 0 0 "[ . 1 . 2]" 1
1665 1 55 ASP QB 1 56 LYS H 3.800 . 4.300 2.536 2.452 2.600 . 0 0 "[ . 1 . 2]" 1
1666 1 55 ASP HA 1 58 MET QB 4.500 . 5.000 3.329 2.881 4.016 . 0 0 "[ . 1 . 2]" 1
1667 1 55 ASP HA 1 58 MET HG3 4.500 . 5.000 2.782 2.611 2.885 . 0 0 "[ . 1 . 2]" 1
1668 1 55 ASP HA 1 58 MET HG2 4.500 . 5.000 2.733 2.376 3.081 . 0 0 "[ . 1 . 2]" 1
1669 1 55 ASP HA 1 58 MET H 4.500 . 5.000 3.456 3.296 3.646 . 0 0 "[ . 1 . 2]" 1
1670 1 55 ASP HA 1 59 LYS H 4.500 . 5.000 3.989 3.867 4.064 . 0 0 "[ . 1 . 2]" 1
1671 1 56 LYS HA 1 56 LYS HB3 2.800 . 3.300 2.445 2.418 2.451 . 0 0 "[ . 1 . 2]" 1
1672 1 56 LYS H 1 56 LYS HB2 3.800 . 4.300 2.551 2.480 2.575 . 0 0 "[ . 1 . 2]" 1
1673 1 56 LYS HD3 1 56 LYS HG3 2.800 . 3.300 2.899 2.481 2.975 . 0 0 "[ . 1 . 2]" 1
1674 1 56 LYS HD3 1 56 LYS HG2 2.800 . 3.300 2.313 2.290 2.426 . 0 0 "[ . 1 . 2]" 1
1675 1 56 LYS HA 1 56 LYS HD2 2.800 . 3.300 2.452 2.280 3.400 0.100 6 0 "[ . 1 . 2]" 1
1676 1 56 LYS HB3 1 56 LYS HD2 3.800 . 4.300 2.250 2.231 2.253 . 0 0 "[ . 1 . 2]" 1
1677 1 56 LYS HA 1 56 LYS QE 4.500 . 5.000 4.076 3.999 4.343 . 0 0 "[ . 1 . 2]" 1
1678 1 56 LYS HB3 1 56 LYS QE 2.800 . 3.300 3.214 2.243 3.385 0.085 11 0 "[ . 1 . 2]" 1
1679 1 56 LYS HA 1 56 LYS HG2 3.800 . 4.300 2.901 2.243 3.027 . 0 0 "[ . 1 . 2]" 1
1680 1 56 LYS H 1 56 LYS HG2 4.500 . 5.000 2.093 1.962 2.758 . 0 0 "[ . 1 . 2]" 1
1681 1 56 LYS HB3 1 57 VAL HA 5.200 . 5.700 4.475 4.371 4.521 . 0 0 "[ . 1 . 2]" 1
1682 1 56 LYS HB2 1 57 VAL HA 4.500 . 5.000 4.247 4.186 4.346 . 0 0 "[ . 1 . 2]" 1
1683 1 56 LYS HB2 1 57 VAL QG 4.500 . 5.000 3.051 2.840 3.170 . 0 0 "[ . 1 . 2]" 1
1684 1 56 LYS H 1 57 VAL QG 5.200 . 5.700 3.986 3.638 4.161 . 0 0 "[ . 1 . 2]" 1
1685 1 56 LYS HB2 1 57 VAL H 3.800 . 4.300 2.632 2.602 2.666 . 0 0 "[ . 1 . 2]" 1
1686 1 56 LYS H 1 57 VAL H 3.800 . 4.300 2.692 2.600 2.795 . 0 0 "[ . 1 . 2]" 1
1687 1 57 VAL H 1 57 VAL HB 3.800 . 4.300 2.783 2.391 3.654 . 0 0 "[ . 1 . 2]" 1
1688 1 57 VAL HA 1 58 MET HG3 5.200 . 5.700 5.737 5.712 5.757 0.057 6 0 "[ . 1 . 2]" 1
1689 1 57 VAL H 1 58 MET H 3.800 . 4.300 2.671 2.505 2.824 . 0 0 "[ . 1 . 2]" 1
1690 1 57 VAL HA 1 60 GLU QB 4.500 . 5.000 3.240 2.837 3.798 . 0 0 "[ . 1 . 2]" 1
1691 1 57 VAL HA 1 60 GLU QG 5.200 . 5.700 3.449 2.950 4.400 . 0 0 "[ . 1 . 2]" 1
1692 1 57 VAL HA 1 60 GLU H 4.500 . 5.000 3.603 3.194 4.188 . 0 0 "[ . 1 . 2]" 1
1693 1 57 VAL HA 1 61 LEU H 5.200 . 5.700 4.597 4.351 4.730 . 0 0 "[ . 1 . 2]" 1
1694 1 57 VAL HA 1 77 LEU QD 4.500 . 5.000 3.732 2.693 5.009 0.009 5 0 "[ . 1 . 2]" 1
1695 1 57 VAL QG 1 77 LEU QD 3.800 . 4.300 2.603 1.791 4.216 0.009 20 0 "[ . 1 . 2]" 1
1696 1 58 MET QB 1 58 MET ME 3.800 . 4.300 2.226 2.061 2.543 . 0 0 "[ . 1 . 2]" 1
1697 1 58 MET ME 1 58 MET HG3 3.800 . 4.300 3.306 3.243 3.342 . 0 0 "[ . 1 . 2]" 1
1698 1 58 MET ME 1 58 MET HG2 3.800 . 4.300 2.225 2.189 2.318 . 0 0 "[ . 1 . 2]" 1
1699 1 58 MET H 1 58 MET HG3 4.500 . 5.000 2.790 2.475 3.027 . 0 0 "[ . 1 . 2]" 1
1700 1 58 MET H 1 58 MET HG2 4.500 . 5.000 3.710 3.513 3.916 . 0 0 "[ . 1 . 2]" 1
1701 1 58 MET HG3 1 59 LYS HA 4.500 . 5.000 3.457 3.287 3.644 . 0 0 "[ . 1 . 2]" 1
1702 1 58 MET HG3 1 59 LYS QB 3.800 . 4.300 3.448 2.935 4.003 . 0 0 "[ . 1 . 2]" 1
1703 1 58 MET HG3 1 59 LYS QG 4.500 . 5.000 4.031 2.397 5.029 0.029 1 0 "[ . 1 . 2]" 1
1704 1 58 MET QB 1 59 LYS H 4.500 . 5.000 3.451 3.344 3.500 . 0 0 "[ . 1 . 2]" 1
1705 1 58 MET HB3 1 59 LYS H 4.500 . 5.000 3.712 3.613 3.782 . 0 0 "[ . 1 . 2]" 1
1706 1 58 MET HB2 1 59 LYS H 4.500 . 5.000 4.107 3.859 4.188 . 0 0 "[ . 1 . 2]" 1
1707 1 58 MET HG3 1 59 LYS H 4.500 . 5.000 1.952 1.810 2.073 . 0 0 "[ . 1 . 2]" 1
1708 1 58 MET H 1 59 LYS H 3.800 . 4.300 2.676 2.510 2.776 . 0 0 "[ . 1 . 2]" 1
1709 1 58 MET HA 1 61 LEU MD1 3.800 . 4.300 2.475 2.213 3.996 . 0 0 "[ . 1 . 2]" 1
1710 1 58 MET HA 1 62 ASP QB 4.500 . 5.000 4.995 4.906 5.029 0.029 10 0 "[ . 1 . 2]" 1
1711 1 58 MET ME 1 62 ASP QB 3.800 . 4.300 3.496 3.190 3.846 . 0 0 "[ . 1 . 2]" 1
1712 1 58 MET ME 1 62 ASP HB3 4.500 . 5.000 4.516 4.124 5.007 0.007 9 0 "[ . 1 . 2]" 1
1713 1 58 MET ME 1 62 ASP HB2 4.500 . 5.000 3.649 3.295 4.032 . 0 0 "[ . 1 . 2]" 1
1714 1 58 MET HA 1 62 ASP H 4.500 . 5.000 4.153 3.901 4.334 . 0 0 "[ . 1 . 2]" 1
1715 1 58 MET ME 1 62 ASP H 4.500 . 5.000 4.837 4.587 5.006 0.006 9 0 "[ . 1 . 2]" 1
1716 1 58 MET ME 1 67 GLY QA 3.800 . 4.300 3.280 2.697 3.880 . 0 0 "[ . 1 . 2]" 1
1717 1 58 MET ME 1 67 GLY HA3 4.500 . 5.000 4.361 3.636 5.029 0.029 9 0 "[ . 1 . 2]" 1
1718 1 58 MET ME 1 67 GLY HA2 4.500 . 5.000 3.393 2.758 4.054 . 0 0 "[ . 1 . 2]" 1
1719 1 58 MET ME 1 69 VAL HA 4.500 . 5.000 4.869 4.396 5.009 0.009 6 0 "[ . 1 . 2]" 1
1720 1 58 MET HA 1 69 VAL MG1 4.500 . 5.000 4.146 3.804 4.381 . 0 0 "[ . 1 . 2]" 1
1721 1 58 MET HA 1 69 VAL MG2 3.800 . 4.300 3.187 2.770 3.743 . 0 0 "[ . 1 . 2]" 1
1722 1 58 MET QB 1 69 VAL MG2 3.800 . 4.300 2.660 2.402 3.098 . 0 0 "[ . 1 . 2]" 1
1723 1 58 MET ME 1 69 VAL MG2 2.800 . 3.300 2.433 2.115 2.740 . 0 0 "[ . 1 . 2]" 1
1724 1 59 LYS H 1 59 LYS QB 2.800 . 3.300 2.325 2.224 2.529 . 0 0 "[ . 1 . 2]" 1
1725 1 59 LYS H 1 59 LYS QD 5.200 . 5.700 4.175 3.424 4.631 . 0 0 "[ . 1 . 2]" 1
1726 1 59 LYS H 1 59 LYS QG 3.800 . 4.300 3.351 2.120 4.028 . 0 0 "[ . 1 . 2]" 1
1727 1 59 LYS QB 1 60 GLU QG 4.500 . 5.000 3.226 3.152 3.368 . 0 0 "[ . 1 . 2]" 1
1728 1 59 LYS QB 1 60 GLU H 3.800 . 4.300 2.596 2.525 2.718 . 0 0 "[ . 1 . 2]" 1
1729 1 59 LYS HB3 1 60 GLU H 4.500 . 5.000 2.977 2.561 3.775 . 0 0 "[ . 1 . 2]" 1
1730 1 59 LYS HB2 1 60 GLU H 4.500 . 5.000 3.468 2.714 3.876 . 0 0 "[ . 1 . 2]" 1
1731 1 59 LYS H 1 61 LEU MD1 5.200 . 5.700 5.417 5.144 5.942 0.242 15 0 "[ . 1 . 2]" 1
1732 1 60 GLU H 1 60 GLU QG 3.800 . 4.300 2.203 2.170 2.324 . 0 0 "[ . 1 . 2]" 1
1733 1 60 GLU H 1 61 LEU HB2 4.500 . 5.000 4.830 4.693 5.004 0.004 15 0 "[ . 1 . 2]" 1
1734 1 60 GLU H 1 61 LEU MD1 5.200 . 5.700 5.261 5.065 5.667 . 0 0 "[ . 1 . 2]" 1
1735 1 60 GLU H 1 61 LEU MD2 5.200 . 5.700 5.048 4.811 5.462 . 0 0 "[ . 1 . 2]" 1
1736 1 60 GLU H 1 61 LEU HG 4.500 . 5.000 4.199 4.074 5.095 0.095 15 0 "[ . 1 . 2]" 1
1737 1 60 GLU H 1 61 LEU H 3.800 . 4.300 2.579 2.130 2.703 . 0 0 "[ . 1 . 2]" 1
1738 1 61 LEU H 1 61 LEU MD1 4.500 . 5.000 3.616 3.404 3.955 . 0 0 "[ . 1 . 2]" 1
1739 1 61 LEU HA 1 61 LEU MD2 3.800 . 4.300 2.148 2.010 3.922 . 0 0 "[ . 1 . 2]" 1
1740 1 61 LEU H 1 61 LEU MD2 4.500 . 5.000 3.233 2.966 3.953 . 0 0 "[ . 1 . 2]" 1
1741 1 61 LEU HA 1 61 LEU HG 3.800 . 4.300 3.091 2.899 3.705 . 0 0 "[ . 1 . 2]" 1
1742 1 61 LEU H 1 61 LEU HG 3.800 . 4.300 2.202 2.081 3.466 . 0 0 "[ . 1 . 2]" 1
1743 1 61 LEU HB3 1 62 ASP H 4.500 . 5.000 3.696 3.272 3.811 . 0 0 "[ . 1 . 2]" 1
1744 1 61 LEU HB2 1 62 ASP H 4.500 . 5.000 2.741 2.165 4.275 . 0 0 "[ . 1 . 2]" 1
1745 1 61 LEU MD1 1 62 ASP H 5.200 . 5.700 4.505 3.288 4.718 . 0 0 "[ . 1 . 2]" 1
1746 1 61 LEU MD2 1 62 ASP H 5.200 . 5.700 4.561 4.303 4.677 . 0 0 "[ . 1 . 2]" 1
1747 1 61 LEU HA 1 69 VAL MG1 4.500 . 5.000 4.200 3.936 5.064 0.064 15 0 "[ . 1 . 2]" 1
1748 1 61 LEU HB3 1 69 VAL MG1 4.500 . 5.000 2.268 1.994 4.580 . 0 0 "[ . 1 . 2]" 1
1749 1 61 LEU HB2 1 69 VAL MG1 4.500 . 5.000 2.896 2.458 4.247 . 0 0 "[ . 1 . 2]" 1
1750 1 61 LEU HB2 1 69 VAL MG2 3.800 . 4.300 2.626 2.100 4.403 0.103 15 0 "[ . 1 . 2]" 1
1751 1 61 LEU MD2 1 74 TYR HA 4.500 . 5.000 2.526 2.053 3.744 . 0 0 "[ . 1 . 2]" 1
1752 1 61 LEU HB3 1 74 TYR QB 5.200 . 5.700 4.523 3.360 5.744 0.044 15 0 "[ . 1 . 2]" 1
1753 1 61 LEU MD1 1 74 TYR QB 4.500 . 5.000 3.161 2.625 3.628 . 0 0 "[ . 1 . 2]" 1
1754 1 61 LEU MD2 1 74 TYR QB 4.500 . 5.000 3.858 2.400 4.947 . 0 0 "[ . 1 . 2]" 1
1755 1 61 LEU MD1 1 74 TYR HB3 4.500 . 5.000 4.586 3.834 5.013 0.013 9 0 "[ . 1 . 2]" 1
1756 1 61 LEU MD1 1 74 TYR HB2 4.500 . 5.000 3.224 2.668 3.724 . 0 0 "[ . 1 . 2]" 1
1757 1 61 LEU MD2 1 74 TYR HD1 4.500 . 5.000 3.420 2.059 4.929 . 0 0 "[ . 1 . 2]" 1
1758 1 62 ASP H 1 62 ASP HB3 3.800 . 4.300 3.098 2.535 3.713 . 0 0 "[ . 1 . 2]" 1
1759 1 62 ASP H 1 62 ASP HB2 3.800 . 4.300 2.470 2.291 2.638 . 0 0 "[ . 1 . 2]" 1
1760 1 62 ASP HA 1 63 GLU HA 4.500 . 5.000 4.614 4.355 4.763 . 0 0 "[ . 1 . 2]" 1
1761 1 62 ASP HA 1 63 GLU QB 4.500 . 5.000 4.370 4.160 4.591 . 0 0 "[ . 1 . 2]" 1
1762 1 62 ASP HA 1 63 GLU HB3 5.200 . 5.700 4.738 4.470 4.971 . 0 0 "[ . 1 . 2]" 1
1763 1 62 ASP HA 1 63 GLU HB2 5.200 . 5.700 5.163 4.773 5.717 0.017 7 0 "[ . 1 . 2]" 1
1764 1 62 ASP HA 1 63 GLU H 3.800 . 4.300 2.533 2.185 2.888 . 0 0 "[ . 1 . 2]" 1
1765 1 62 ASP QB 1 63 GLU H 3.800 . 4.300 3.880 2.803 4.036 . 0 0 "[ . 1 . 2]" 1
1766 1 62 ASP HB3 1 63 GLU H 4.500 . 5.000 4.351 2.859 4.448 . 0 0 "[ . 1 . 2]" 1
1767 1 62 ASP HB2 1 63 GLU H 4.500 . 5.000 4.401 4.040 4.633 . 0 0 "[ . 1 . 2]" 1
1768 1 62 ASP QB 1 65 GLY H 4.500 . 5.000 3.397 3.041 4.760 . 0 0 "[ . 1 . 2]" 1
1769 1 62 ASP HA 1 69 VAL MG1 4.500 . 5.000 4.416 3.850 4.910 . 0 0 "[ . 1 . 2]" 1
1770 1 62 ASP H 1 69 VAL MG1 4.500 . 5.000 4.558 3.428 4.954 . 0 0 "[ . 1 . 2]" 1
1771 1 62 ASP HA 1 69 VAL MG2 4.500 . 5.000 3.881 3.278 5.009 0.009 9 0 "[ . 1 . 2]" 1
1772 1 63 GLU H 1 63 GLU HB3 3.800 . 4.300 2.515 2.459 2.563 . 0 0 "[ . 1 . 2]" 1
1773 1 63 GLU H 1 63 GLU HB2 3.800 . 4.300 2.673 2.524 3.602 . 0 0 "[ . 1 . 2]" 1
1774 1 63 GLU HA 1 63 GLU HG3 3.800 . 4.300 2.654 2.481 3.684 . 0 0 "[ . 1 . 2]" 1
1775 1 63 GLU HA 1 63 GLU HG2 3.800 . 4.300 3.201 3.008 3.734 . 0 0 "[ . 1 . 2]" 1
1776 1 63 GLU HA 1 64 ASN HA 5.200 . 5.700 4.773 4.578 5.260 . 0 0 "[ . 1 . 2]" 1
1777 1 63 GLU QB 1 64 ASN HA 5.200 . 5.700 4.133 3.963 5.116 . 0 0 "[ . 1 . 2]" 1
1778 1 63 GLU QG 1 64 ASN HA 4.500 . 5.000 3.476 3.199 3.634 . 0 0 "[ . 1 . 2]" 1
1779 1 63 GLU HG3 1 64 ASN HA 4.500 . 5.000 4.770 3.291 5.076 0.076 20 0 "[ . 1 . 2]" 1
1780 1 63 GLU HG2 1 64 ASN HA 4.500 . 5.000 3.752 3.491 5.031 0.031 16 0 "[ . 1 . 2]" 1
1781 1 63 GLU H 1 64 ASN HA 5.200 . 5.700 5.131 4.368 5.261 . 0 0 "[ . 1 . 2]" 1
1782 1 63 GLU QB 1 64 ASN QB 4.500 . 5.000 4.403 3.614 5.000 0.000 9 0 "[ . 1 . 2]" 1
1783 1 63 GLU QG 1 64 ASN QB 4.500 . 5.000 4.549 2.603 5.020 0.020 1 0 "[ . 1 . 2]" 1
1784 1 63 GLU QB 1 64 ASN H 3.800 . 4.300 2.730 2.491 3.472 . 0 0 "[ . 1 . 2]" 1
1785 1 63 GLU QG 1 64 ASN H 4.500 . 5.000 3.470 2.079 3.658 . 0 0 "[ . 1 . 2]" 1
1786 1 63 GLU H 1 64 ASN H 3.800 . 4.300 2.568 2.179 2.662 . 0 0 "[ . 1 . 2]" 1
1787 1 63 GLU HA 1 65 GLY H 4.500 . 5.000 3.982 3.673 4.962 . 0 0 "[ . 1 . 2]" 1
1788 1 63 GLU QB 1 65 GLY H 4.500 . 5.000 4.611 3.917 4.857 . 0 0 "[ . 1 . 2]" 1
1789 1 63 GLU H 1 65 GLY H 4.500 . 5.000 4.146 3.895 4.584 . 0 0 "[ . 1 . 2]" 1
1790 1 64 ASN H 1 64 ASN HB3 3.800 . 4.300 3.197 2.488 4.017 . 0 0 "[ . 1 . 2]" 1
1791 1 64 ASN H 1 64 ASN HB2 3.800 . 4.300 3.090 2.557 3.642 . 0 0 "[ . 1 . 2]" 1
1792 1 64 ASN QB 1 65 GLY H 4.500 . 5.000 3.150 2.546 3.919 . 0 0 "[ . 1 . 2]" 1
1793 1 64 ASN H 1 65 GLY H 3.800 . 4.300 2.681 2.539 2.978 . 0 0 "[ . 1 . 2]" 1
1794 1 64 ASN QB 1 66 ASP QB 4.500 . 5.000 3.159 2.352 5.007 0.007 9 0 "[ . 1 . 2]" 1
1795 1 64 ASN QB 1 66 ASP H 4.500 . 5.000 2.835 1.977 4.189 . 0 0 "[ . 1 . 2]" 1
1796 1 65 GLY QA 1 66 ASP H 3.800 . 4.300 2.876 2.680 2.924 . 0 0 "[ . 1 . 2]" 1
1797 1 65 GLY H 1 66 ASP H 3.800 . 4.300 2.310 2.063 2.616 . 0 0 "[ . 1 . 2]" 1
1798 1 66 ASP H 1 66 ASP HB3 3.800 . 4.300 2.550 2.475 2.852 . 0 0 "[ . 1 . 2]" 1
1799 1 66 ASP H 1 66 ASP HB2 3.800 . 4.300 3.580 3.532 3.680 . 0 0 "[ . 1 . 2]" 1
1800 1 66 ASP HA 1 67 GLY QA 4.500 . 5.000 4.221 3.840 4.342 . 0 0 "[ . 1 . 2]" 1
1801 1 66 ASP H 1 67 GLY H 3.800 . 4.300 2.935 2.600 4.395 0.095 10 0 "[ . 1 . 2]" 1
1802 1 66 ASP HA 1 68 GLU H 5.200 . 5.700 4.111 3.634 4.374 . 0 0 "[ . 1 . 2]" 1
1803 1 66 ASP H 1 68 GLU H 4.500 . 5.000 4.228 3.611 5.006 0.006 3 0 "[ . 1 . 2]" 1
1804 1 67 GLY QA 1 68 GLU HA 4.500 . 5.000 4.051 4.009 4.072 . 0 0 "[ . 1 . 2]" 1
1805 1 67 GLY QA 1 68 GLU HB2 4.500 . 5.000 4.382 4.278 4.476 . 0 0 "[ . 1 . 2]" 1
1806 1 67 GLY HA3 1 68 GLU HB2 5.200 . 5.700 4.619 4.496 4.731 . 0 0 "[ . 1 . 2]" 1
1807 1 67 GLY HA2 1 68 GLU HB2 5.200 . 5.700 5.448 5.339 5.588 . 0 0 "[ . 1 . 2]" 1
1808 1 67 GLY H 1 68 GLU HB2 5.200 . 5.700 5.181 4.369 5.544 . 0 0 "[ . 1 . 2]" 1
1809 1 67 GLY HA3 1 68 GLU H 3.800 . 4.300 3.159 2.983 3.240 . 0 0 "[ . 1 . 2]" 1
1810 1 67 GLY HA2 1 68 GLU H 3.800 . 4.300 3.346 3.302 3.499 . 0 0 "[ . 1 . 2]" 1
1811 1 67 GLY H 1 68 GLU H 3.800 . 4.300 2.417 2.204 2.775 . 0 0 "[ . 1 . 2]" 1
1812 1 68 GLU H 1 68 GLU HB3 3.800 . 4.300 2.685 2.588 2.739 . 0 0 "[ . 1 . 2]" 1
1813 1 68 GLU H 1 68 GLU HB2 3.800 . 4.300 2.919 2.623 3.021 . 0 0 "[ . 1 . 2]" 1
1814 1 68 GLU HA 1 68 GLU HG3 3.800 . 4.300 2.489 2.409 2.829 . 0 0 "[ . 1 . 2]" 1
1815 1 68 GLU HA 1 69 VAL MG2 4.500 . 5.000 3.361 3.253 3.615 . 0 0 "[ . 1 . 2]" 1
1816 1 68 GLU H 1 69 VAL MG2 4.500 . 5.000 4.674 4.499 4.852 . 0 0 "[ . 1 . 2]" 1
1817 1 68 GLU HB3 1 69 VAL H 4.500 . 5.000 3.855 3.729 3.953 . 0 0 "[ . 1 . 2]" 1
1818 1 68 GLU HG3 1 69 VAL H 4.500 . 5.000 2.738 2.117 2.934 . 0 0 "[ . 1 . 2]" 1
1819 1 68 GLU H 1 69 VAL H 4.500 . 5.000 4.489 4.448 4.595 . 0 0 "[ . 1 . 2]" 1
1820 1 69 VAL H 1 69 VAL MG1 4.500 . 5.000 3.799 3.745 3.827 . 0 0 "[ . 1 . 2]" 1
1821 1 69 VAL H 1 69 VAL MG2 4.500 . 5.000 2.444 2.306 2.697 . 0 0 "[ . 1 . 2]" 1
1822 1 69 VAL MG1 1 70 ASP QB 4.500 . 5.000 3.975 3.766 4.099 . 0 0 "[ . 1 . 2]" 1
1823 1 69 VAL HA 1 70 ASP H 3.800 . 4.300 2.107 2.069 2.171 . 0 0 "[ . 1 . 2]" 1
1824 1 69 VAL MG1 1 70 ASP H 3.800 . 4.300 2.461 2.359 2.627 . 0 0 "[ . 1 . 2]" 1
1825 1 69 VAL MG2 1 70 ASP H 4.500 . 5.000 3.954 3.775 4.010 . 0 0 "[ . 1 . 2]" 1
1826 1 69 VAL MG1 1 73 GLU H 4.500 . 5.000 4.190 3.931 4.676 . 0 0 "[ . 1 . 2]" 1
1827 1 69 VAL MG1 1 74 TYR HA 3.800 . 4.300 3.530 3.226 3.868 . 0 0 "[ . 1 . 2]" 1
1828 1 69 VAL HB 1 74 TYR QB 4.500 . 5.000 4.561 4.094 4.883 . 0 0 "[ . 1 . 2]" 1
1829 1 69 VAL MG1 1 74 TYR QB 3.800 . 4.300 2.493 2.038 2.879 . 0 0 "[ . 1 . 2]" 1
1830 1 69 VAL MG1 1 74 TYR HD1 4.500 . 5.000 3.454 3.125 4.011 . 0 0 "[ . 1 . 2]" 1
1831 1 69 VAL MG1 1 74 TYR H 4.500 . 5.000 3.199 2.831 3.566 . 0 0 "[ . 1 . 2]" 1
1832 1 70 ASP QB 1 71 PHE H 4.500 . 5.000 3.363 2.679 3.749 . 0 0 "[ . 1 . 2]" 1
1833 1 70 ASP H 1 73 GLU H 4.500 . 5.000 3.827 3.530 4.266 . 0 0 "[ . 1 . 2]" 1
1834 1 71 PHE H 1 71 PHE HB3 3.800 . 4.300 2.592 2.511 2.640 . 0 0 "[ . 1 . 2]" 1
1835 1 71 PHE H 1 71 PHE HD1 4.500 . 5.000 4.558 4.474 4.623 . 0 0 "[ . 1 . 2]" 1
1836 1 71 PHE HB2 1 71 PHE HE1 4.500 . 5.000 4.797 4.748 4.907 . 0 0 "[ . 1 . 2]" 1
1837 1 71 PHE HB3 1 72 GLN H 4.500 . 5.000 2.671 2.552 2.726 . 0 0 "[ . 1 . 2]" 1
1838 1 71 PHE H 1 72 GLN H 4.500 . 5.000 2.807 2.740 2.895 . 0 0 "[ . 1 . 2]" 1
1839 1 71 PHE HA 1 73 GLU H 4.500 . 5.000 4.256 4.154 4.400 . 0 0 "[ . 1 . 2]" 1
1840 1 71 PHE HA 1 74 TYR QB 3.800 . 4.300 2.273 2.181 2.447 . 0 0 "[ . 1 . 2]" 1
1841 1 71 PHE HA 1 74 TYR HB3 4.500 . 5.000 2.329 2.249 2.497 . 0 0 "[ . 1 . 2]" 1
1842 1 71 PHE HA 1 74 TYR HB2 4.500 . 5.000 3.199 2.764 3.691 . 0 0 "[ . 1 . 2]" 1
1843 1 71 PHE HD1 1 74 TYR HD2 4.500 . 5.000 3.329 2.789 3.681 . 0 0 "[ . 1 . 2]" 1
1844 1 71 PHE HD1 1 74 TYR HE2 4.500 . 5.000 4.929 4.639 5.014 0.014 15 0 "[ . 1 . 2]" 1
1845 1 71 PHE HE1 1 74 TYR HE2 4.500 . 5.000 3.753 3.152 4.804 . 0 0 "[ . 1 . 2]" 1
1846 1 71 PHE HD2 1 75 VAL QG 4.500 . 5.000 2.998 2.594 3.934 . 0 0 "[ . 1 . 2]" 1
1847 1 71 PHE HE1 1 75 VAL QG 4.500 . 5.000 3.267 2.367 4.476 . 0 0 "[ . 1 . 2]" 1
1848 1 71 PHE HE2 1 75 VAL QG 4.500 . 5.000 2.434 2.178 3.116 . 0 0 "[ . 1 . 2]" 1
1849 1 71 PHE HE2 1 75 VAL MG1 4.500 . 5.000 3.042 2.205 4.408 . 0 0 "[ . 1 . 2]" 1
1850 1 71 PHE HE2 1 75 VAL MG2 4.500 . 5.000 3.414 2.189 4.329 . 0 0 "[ . 1 . 2]" 1
1851 1 72 GLN HA 1 72 GLN HG3 3.800 . 4.300 2.629 2.414 3.066 . 0 0 "[ . 1 . 2]" 1
1852 1 72 GLN HA 1 72 GLN HG2 3.800 . 4.300 2.774 2.433 2.979 . 0 0 "[ . 1 . 2]" 1
1853 1 72 GLN H 1 73 GLU H 3.800 . 4.300 2.736 2.692 2.764 . 0 0 "[ . 1 . 2]" 1
1854 1 72 GLN HA 1 75 VAL QG 4.500 . 5.000 2.466 2.072 3.228 . 0 0 "[ . 1 . 2]" 1
1855 1 72 GLN QB 1 75 VAL QG 4.500 . 5.000 4.007 3.515 4.695 . 0 0 "[ . 1 . 2]" 1
1856 1 72 GLN QG 1 75 VAL QG 4.500 . 5.000 3.553 3.056 4.338 . 0 0 "[ . 1 . 2]" 1
1857 1 73 GLU H 1 74 TYR QB 5.200 . 5.700 4.259 4.169 4.369 . 0 0 "[ . 1 . 2]" 1
1858 1 73 GLU HA 1 76 VAL QG 3.800 . 4.300 3.298 2.502 3.754 . 0 0 "[ . 1 . 2]" 1
1859 1 73 GLU HA 1 77 LEU H 5.200 . 5.700 4.757 4.342 5.201 . 0 0 "[ . 1 . 2]" 1
1860 1 74 TYR HE2 1 75 VAL QG 4.500 . 5.000 4.178 3.674 5.010 0.010 20 0 "[ . 1 . 2]" 1
1861 1 74 TYR H 1 75 VAL H 4.500 . 5.000 2.793 2.703 2.846 . 0 0 "[ . 1 . 2]" 1
1862 1 74 TYR HE2 1 78 VAL QG 4.500 . 5.000 2.834 2.175 3.812 . 0 0 "[ . 1 . 2]" 1
1863 1 75 VAL H 1 75 VAL HB 3.800 . 4.300 3.151 2.381 3.625 . 0 0 "[ . 1 . 2]" 1
1864 1 75 VAL H 1 75 VAL QG 3.800 . 4.300 1.996 1.784 2.454 0.016 7 0 "[ . 1 . 2]" 1
1865 1 75 VAL H 1 75 VAL MG1 4.500 . 5.000 2.716 2.000 3.762 . 0 0 "[ . 1 . 2]" 1
1866 1 75 VAL H 1 75 VAL MG2 4.500 . 5.000 2.176 1.916 3.726 . 0 0 "[ . 1 . 2]" 1
1867 1 75 VAL QG 1 76 VAL HA 4.500 . 5.000 3.274 3.092 3.582 . 0 0 "[ . 1 . 2]" 1
1868 1 75 VAL QG 1 76 VAL HB 4.500 . 5.000 4.224 3.638 4.916 . 0 0 "[ . 1 . 2]" 1
1869 1 75 VAL HB 1 76 VAL QG 5.200 . 5.700 3.979 3.253 4.629 . 0 0 "[ . 1 . 2]" 1
1870 1 75 VAL QG 1 76 VAL QG 3.800 . 4.300 2.612 2.137 3.462 . 0 0 "[ . 1 . 2]" 1
1871 1 75 VAL QG 1 76 VAL H 4.500 . 5.000 2.443 1.828 3.274 . 0 0 "[ . 1 . 2]" 1
1872 1 75 VAL H 1 76 VAL H 4.500 . 5.000 2.763 2.598 2.884 . 0 0 "[ . 1 . 2]" 1
1873 1 75 VAL QG 1 77 LEU H 4.500 . 5.000 4.363 4.004 4.731 . 0 0 "[ . 1 . 2]" 1
1874 1 75 VAL HA 1 78 VAL HB 4.500 . 5.000 3.192 2.282 5.002 0.002 20 0 "[ . 1 . 2]" 1
1875 1 75 VAL QG 1 78 VAL HB 5.200 . 5.700 4.250 3.373 5.209 . 0 0 "[ . 1 . 2]" 1
1876 1 75 VAL HA 1 78 VAL QG 4.500 . 5.000 2.415 2.001 3.086 . 0 0 "[ . 1 . 2]" 1
1877 1 75 VAL QG 1 78 VAL QG 4.500 . 5.000 3.203 2.535 3.694 . 0 0 "[ . 1 . 2]" 1
1878 1 75 VAL HA 1 78 VAL MG1 4.500 . 5.000 2.876 2.005 4.216 . 0 0 "[ . 1 . 2]" 1
1879 1 75 VAL HA 1 78 VAL MG2 4.500 . 5.000 3.766 2.146 4.606 . 0 0 "[ . 1 . 2]" 1
1880 1 76 VAL H 1 76 VAL QG 3.800 . 4.300 2.143 1.798 2.246 0.002 16 0 "[ . 1 . 2]" 1
1881 1 76 VAL H 1 76 VAL MG1 4.500 . 5.000 3.592 2.256 3.747 . 0 0 "[ . 1 . 2]" 1
1882 1 76 VAL H 1 76 VAL MG2 4.500 . 5.000 2.166 1.884 2.264 . 0 0 "[ . 1 . 2]" 1
1883 1 76 VAL H 1 77 LEU HA 5.200 . 5.700 5.314 5.200 5.389 . 0 0 "[ . 1 . 2]" 1
1884 1 76 VAL HB 1 77 LEU H 4.500 . 5.000 2.658 2.461 3.725 . 0 0 "[ . 1 . 2]" 1
1885 1 76 VAL QG 1 77 LEU H 4.500 . 5.000 2.981 1.951 3.169 . 0 0 "[ . 1 . 2]" 1
1886 1 76 VAL H 1 77 LEU H 4.500 . 5.000 2.715 2.578 2.846 . 0 0 "[ . 1 . 2]" 1
1887 1 77 LEU HA 1 77 LEU QD 3.800 . 4.300 2.116 1.973 2.155 . 0 0 "[ . 1 . 2]" 1
1888 1 77 LEU H 1 77 LEU QD 4.500 . 5.000 3.553 1.796 3.735 0.004 19 0 "[ . 1 . 2]" 1
1889 1 77 LEU HA 1 77 LEU MD1 3.800 . 4.300 2.235 2.070 3.750 . 0 0 "[ . 1 . 2]" 1
1890 1 77 LEU H 1 77 LEU MD1 4.500 . 5.000 3.998 3.802 4.153 . 0 0 "[ . 1 . 2]" 1
1891 1 77 LEU HA 1 77 LEU MD2 3.800 . 4.300 3.577 2.000 3.842 . 0 0 "[ . 1 . 2]" 1
1892 1 77 LEU H 1 77 LEU MD2 4.500 . 5.000 4.100 1.800 4.407 0.000 19 0 "[ . 1 . 2]" 1
1893 1 77 LEU H 1 77 LEU HG 4.500 . 5.000 4.325 2.415 4.608 . 0 0 "[ . 1 . 2]" 1
1894 1 77 LEU HA 1 78 VAL HA 5.200 . 5.700 4.795 4.689 4.818 . 0 0 "[ . 1 . 2]" 1
1895 1 77 LEU HA 1 78 VAL QG 5.200 . 5.700 4.837 4.407 4.921 . 0 0 "[ . 1 . 2]" 1
1896 1 77 LEU H 1 78 VAL QG 5.200 . 5.700 4.225 3.643 4.364 . 0 0 "[ . 1 . 2]" 1
1897 1 77 LEU H 1 78 VAL H 4.500 . 5.000 2.716 2.609 2.811 . 0 0 "[ . 1 . 2]" 1
1898 1 77 LEU QD 1 81 LEU QD 4.500 . 5.000 2.547 1.875 3.612 . 0 0 "[ . 1 . 2]" 1
1899 1 78 VAL H 1 78 VAL MG1 4.500 . 5.000 2.955 2.189 3.771 . 0 0 "[ . 1 . 2]" 1
1900 1 78 VAL H 1 78 VAL MG2 4.500 . 5.000 3.139 1.945 3.732 . 0 0 "[ . 1 . 2]" 1
1901 1 78 VAL H 1 79 ALA H 4.500 . 5.000 2.734 2.539 2.797 . 0 0 "[ . 1 . 2]" 1
1902 1 78 VAL HA 1 81 LEU HA 5.200 . 5.700 5.240 4.653 5.675 . 0 0 "[ . 1 . 2]" 1
1903 1 78 VAL HA 1 81 LEU HB3 4.500 . 5.000 4.069 2.231 4.529 . 0 0 "[ . 1 . 2]" 1
1904 1 78 VAL QG 1 81 LEU HB3 4.500 . 5.000 4.269 3.603 4.733 . 0 0 "[ . 1 . 2]" 1
1905 1 78 VAL HA 1 81 LEU HB2 4.500 . 5.000 2.657 2.375 3.311 . 0 0 "[ . 1 . 2]" 1
1906 1 78 VAL QG 1 81 LEU HB2 3.800 . 4.300 3.294 2.652 4.304 0.004 13 0 "[ . 1 . 2]" 1
1907 1 78 VAL MG1 1 81 LEU HB2 4.500 . 5.000 4.396 3.298 4.942 . 0 0 "[ . 1 . 2]" 1
1908 1 78 VAL MG2 1 81 LEU HB2 4.500 . 5.000 3.641 2.673 5.029 0.029 20 0 "[ . 1 . 2]" 1
1909 1 78 VAL HA 1 81 LEU QD 4.500 . 5.000 2.809 2.191 4.341 . 0 0 "[ . 1 . 2]" 1
1910 1 78 VAL HA 1 81 LEU MD1 5.200 . 5.700 3.146 2.202 5.356 . 0 0 "[ . 1 . 2]" 1
1911 1 78 VAL HA 1 81 LEU MD2 5.200 . 5.700 4.188 2.733 4.911 . 0 0 "[ . 1 . 2]" 1
1912 1 78 VAL HA 1 82 THR MG 4.500 . 5.000 4.500 4.112 4.724 . 0 0 "[ . 1 . 2]" 1
1913 1 78 VAL QG 1 82 THR MG 4.500 . 5.000 3.193 2.902 3.556 . 0 0 "[ . 1 . 2]" 1
1914 1 78 VAL MG1 1 82 THR MG 4.500 . 5.000 3.527 2.921 4.786 . 0 0 "[ . 1 . 2]" 1
1915 1 78 VAL MG2 1 82 THR MG 4.500 . 5.000 4.143 3.610 5.058 0.058 8 0 "[ . 1 . 2]" 1
1916 1 78 VAL QG 1 82 THR H 4.500 . 5.000 3.593 3.396 4.588 . 0 0 "[ . 1 . 2]" 1
1917 1 79 ALA MB 1 80 ALA MB 4.500 . 5.000 3.736 3.678 3.810 . 0 0 "[ . 1 . 2]" 1
1918 1 79 ALA MB 1 80 ALA H 4.500 . 5.000 2.651 2.572 2.726 . 0 0 "[ . 1 . 2]" 1
1919 1 79 ALA H 1 80 ALA H 4.500 . 5.000 2.726 2.631 2.830 . 0 0 "[ . 1 . 2]" 1
1920 1 79 ALA HA 1 82 THR HB 4.500 . 5.000 4.288 4.143 5.014 0.014 20 0 "[ . 1 . 2]" 1
1921 1 80 ALA MB 1 81 LEU H 4.500 . 5.000 2.553 2.475 2.613 . 0 0 "[ . 1 . 2]" 1
1922 1 80 ALA HA 1 83 VAL HB 5.200 . 5.700 3.243 2.910 3.713 . 0 0 "[ . 1 . 2]" 1
1923 1 80 ALA MB 1 83 VAL HB 5.200 . 5.700 4.333 4.065 4.721 . 0 0 "[ . 1 . 2]" 1
1924 1 80 ALA HA 1 83 VAL QG 3.800 . 4.300 3.107 2.671 3.371 . 0 0 "[ . 1 . 2]" 1
1925 1 80 ALA MB 1 83 VAL QG 4.500 . 5.000 4.145 3.940 4.380 . 0 0 "[ . 1 . 2]" 1
1926 1 80 ALA HA 1 83 VAL MG1 5.200 . 5.700 4.492 4.229 4.896 . 0 0 "[ . 1 . 2]" 1
1927 1 80 ALA HA 1 83 VAL MG2 5.200 . 5.700 3.173 2.688 3.459 . 0 0 "[ . 1 . 2]" 1
1928 1 81 LEU HA 1 81 LEU QD 3.800 . 4.300 2.089 1.945 2.795 . 0 0 "[ . 1 . 2]" 1
1929 1 81 LEU H 1 81 LEU QD 4.500 . 5.000 2.690 1.783 3.582 0.017 11 0 "[ . 1 . 2]" 1
1930 1 81 LEU HA 1 81 LEU MD1 4.500 . 5.000 3.286 2.123 3.770 . 0 0 "[ . 1 . 2]" 1
1931 1 81 LEU HA 1 81 LEU MD2 4.500 . 5.000 2.303 2.025 3.796 . 0 0 "[ . 1 . 2]" 1
1932 1 81 LEU H 1 81 LEU HG 4.500 . 5.000 2.680 2.027 4.591 . 0 0 "[ . 1 . 2]" 1
1933 1 81 LEU HB3 1 82 THR H 4.500 . 5.000 3.599 2.573 3.779 . 0 0 "[ . 1 . 2]" 1
1934 1 81 LEU H 1 83 VAL QG 4.500 . 5.000 4.984 4.765 5.025 0.025 4 0 "[ . 1 . 2]" 1
1935 1 81 LEU HA 1 84 ALA MB 3.800 . 4.300 2.402 2.235 2.593 . 0 0 "[ . 1 . 2]" 1
1936 1 81 LEU HB3 1 84 ALA MB 5.200 . 5.700 3.986 3.733 4.808 . 0 0 "[ . 1 . 2]" 1
1937 1 81 LEU QD 1 84 ALA MB 3.800 . 4.300 3.022 2.185 3.964 . 0 0 "[ . 1 . 2]" 1
1938 1 81 LEU MD1 1 84 ALA MB 4.500 . 5.000 4.290 2.216 5.006 0.006 15 0 "[ . 1 . 2]" 1
1939 1 81 LEU MD2 1 84 ALA MB 4.500 . 5.000 3.368 2.923 4.513 . 0 0 "[ . 1 . 2]" 1
1940 1 81 LEU HA 1 84 ALA H 4.500 . 5.000 3.199 3.071 3.332 . 0 0 "[ . 1 . 2]" 1
1941 1 82 THR H 1 82 THR MG 4.500 . 5.000 1.819 1.779 2.026 0.021 6 0 "[ . 1 . 2]" 1
1942 1 82 THR MG 1 83 VAL HA 4.500 . 5.000 3.629 3.441 5.082 0.082 20 0 "[ . 1 . 2]" 1
1943 1 82 THR HB 1 83 VAL QG 4.500 . 5.000 4.795 4.274 4.922 . 0 0 "[ . 1 . 2]" 1
1944 1 82 THR MG 1 83 VAL QG 4.500 . 5.000 2.369 2.168 3.880 . 0 0 "[ . 1 . 2]" 1
1945 1 82 THR H 1 83 VAL QG 4.500 . 5.000 4.136 4.079 4.183 . 0 0 "[ . 1 . 2]" 1
1946 1 82 THR HB 1 83 VAL H 4.500 . 5.000 4.025 3.802 4.099 . 0 0 "[ . 1 . 2]" 1
1947 1 83 VAL QG 1 84 ALA HA 4.500 . 5.000 3.402 3.316 3.616 . 0 0 "[ . 1 . 2]" 1
1948 1 83 VAL HB 1 84 ALA MB 3.800 . 4.300 3.947 3.877 4.036 . 0 0 "[ . 1 . 2]" 1
1949 1 83 VAL QG 1 84 ALA MB 4.500 . 5.000 3.867 3.802 3.996 . 0 0 "[ . 1 . 2]" 1
1950 1 83 VAL MG1 1 84 ALA MB 4.500 . 5.000 4.036 3.947 4.218 . 0 0 "[ . 1 . 2]" 1
1951 1 83 VAL MG2 1 84 ALA MB 4.500 . 5.000 4.958 4.885 5.004 0.004 12 0 "[ . 1 . 2]" 1
1952 1 83 VAL HB 1 84 ALA H 4.500 . 5.000 2.568 2.476 2.640 . 0 0 "[ . 1 . 2]" 1
1953 1 83 VAL QG 1 84 ALA H 3.800 . 4.300 3.170 3.125 3.262 . 0 0 "[ . 1 . 2]" 1
1954 1 83 VAL MG1 1 84 ALA H 4.500 . 5.000 3.378 3.302 3.538 . 0 0 "[ . 1 . 2]" 1
1955 1 83 VAL MG2 1 84 ALA H 4.500 . 5.000 3.844 3.774 3.899 . 0 0 "[ . 1 . 2]" 1
1956 1 83 VAL H 1 85 CYS H 4.500 . 5.000 3.963 3.866 4.038 . 0 0 "[ . 1 . 2]" 1
1957 1 83 VAL QG 1 87 ASN QB 5.200 . 5.700 5.136 4.695 5.706 0.006 5 0 "[ . 1 . 2]" 1
1958 1 84 ALA MB 1 85 CYS QB 4.500 . 5.000 4.233 3.951 4.549 . 0 0 "[ . 1 . 2]" 1
1959 1 84 ALA MB 1 85 CYS H 4.500 . 5.000 2.703 2.663 2.745 . 0 0 "[ . 1 . 2]" 1
1960 1 84 ALA H 1 85 CYS H 4.500 . 5.000 2.609 2.563 2.660 . 0 0 "[ . 1 . 2]" 1
1961 1 84 ALA HA 1 87 ASN QB 3.800 . 4.300 3.312 3.004 3.691 . 0 0 "[ . 1 . 2]" 1
1962 1 84 ALA HA 1 87 ASN HB3 4.500 . 5.000 4.324 3.717 5.002 0.002 13 0 "[ . 1 . 2]" 1
1963 1 84 ALA MB 1 87 ASN HB3 4.500 . 5.000 4.480 3.999 5.012 0.012 11 0 "[ . 1 . 2]" 1
1964 1 84 ALA HA 1 87 ASN HB2 4.500 . 5.000 3.449 3.135 3.801 . 0 0 "[ . 1 . 2]" 1
1965 1 84 ALA MB 1 87 ASN HB2 4.500 . 5.000 4.097 3.739 4.607 . 0 0 "[ . 1 . 2]" 1
1966 1 84 ALA MB 1 88 PHE QB 5.200 . 5.700 5.627 5.380 5.716 0.016 9 0 "[ . 1 . 2]" 1
1967 1 86 ASN QB 1 87 ASN H 4.500 . 5.000 2.658 2.571 2.720 . 0 0 "[ . 1 . 2]" 1
1968 1 86 ASN HA 1 89 PHE HB3 4.500 . 5.000 3.343 2.505 4.776 . 0 0 "[ . 1 . 2]" 1
1969 1 86 ASN HA 1 89 PHE HB2 4.500 . 5.000 2.896 2.503 3.167 . 0 0 "[ . 1 . 2]" 1
1970 1 86 ASN HA 1 89 PHE H 4.500 . 5.000 3.117 2.957 3.398 . 0 0 "[ . 1 . 2]" 1
1971 1 87 ASN QB 1 88 PHE H 4.500 . 5.000 2.595 2.481 2.685 . 0 0 "[ . 1 . 2]" 1
1972 1 87 ASN H 1 88 PHE H 4.500 . 5.000 2.749 2.698 2.821 . 0 0 "[ . 1 . 2]" 1
1973 1 88 PHE HA 1 88 PHE HE1 4.500 . 5.000 4.845 4.763 5.416 0.416 18 0 "[ . 1 . 2]" 1
1974 1 89 PHE HA 1 89 PHE HD1 4.500 . 5.000 2.932 2.797 3.865 . 0 0 "[ . 1 . 2]" 1
1975 1 89 PHE QB 1 90 TRP HD1 3.800 . 4.300 3.404 2.618 3.674 . 0 0 "[ . 1 . 2]" 1
1976 1 89 PHE HB3 1 90 TRP HD1 4.500 . 5.000 3.759 2.638 5.022 0.022 7 0 "[ . 1 . 2]" 1
1977 1 89 PHE HB2 1 90 TRP HD1 4.500 . 5.000 4.626 2.841 5.042 0.042 4 0 "[ . 1 . 2]" 1
1978 1 90 TRP HA 1 90 TRP HD1 3.800 . 4.300 3.919 2.268 4.313 0.013 20 0 "[ . 1 . 2]" 1
1979 1 90 TRP HA 1 90 TRP HE3 4.500 . 5.000 3.355 2.845 5.030 0.030 19 0 "[ . 1 . 2]" 1
1980 1 90 TRP QB 1 91 GLU H 4.500 . 5.000 2.932 2.710 3.940 . 0 0 "[ . 1 . 2]" 1
1981 1 91 GLU HA 1 91 GLU HG3 3.800 . 4.300 2.769 2.482 3.684 . 0 0 "[ . 1 . 2]" 1
1982 1 91 GLU HA 1 91 GLU HG2 3.800 . 4.300 2.948 2.406 3.703 . 0 0 "[ . 1 . 2]" 1
1983 1 91 GLU HA 1 92 ASN HA 4.500 . 5.000 4.769 4.600 4.878 . 0 0 "[ . 1 . 2]" 1
1984 1 92 ASN HA 1 93 SER HA 4.500 . 5.000 4.590 4.358 4.877 . 0 0 "[ . 1 . 2]" 1
1985 1 92 ASN QB 1 93 SER HA 4.500 . 5.000 4.414 3.929 5.026 0.026 9 0 "[ . 1 . 2]" 1
1986 1 3 GLU HB3 1 6 THR HB 4.500 . 5.000 4.134 3.979 4.368 . 0 0 "[ . 1 . 2]" 1
1987 1 3 GLU HB2 1 6 THR HB 5.200 . 5.700 5.275 5.019 5.483 . 0 0 "[ . 1 . 2]" 1
1988 1 3 GLU HB3 1 7 ALA MB 4.500 . 5.000 4.209 4.026 4.462 . 0 0 "[ . 1 . 2]" 1
1989 1 3 GLU HB2 1 7 ALA H 5.200 . 5.700 5.438 5.201 5.563 . 0 0 "[ . 1 . 2]" 1
1990 1 4 LEU HB3 1 5 GLU HB2 4.500 . 5.000 4.381 4.221 4.925 . 0 0 "[ . 1 . 2]" 1
1991 1 5 GLU H 1 5 GLU HB2 3.800 . 4.300 2.485 2.470 2.496 . 0 0 "[ . 1 . 2]" 1
1992 1 5 GLU HB2 1 6 THR H 4.500 . 5.000 3.734 2.629 3.849 . 0 0 "[ . 1 . 2]" 1
1993 1 14 VAL HA 1 18 HIS QB 5.200 . 5.700 5.164 4.368 5.482 . 0 0 "[ . 1 . 2]" 1
1994 1 17 ALA MB 1 18 HIS QB 4.500 . 5.000 4.075 3.640 4.189 . 0 0 "[ . 1 . 2]" 1
1995 1 18 HIS QB 1 19 SER H 4.500 . 5.000 2.648 2.380 2.945 . 0 0 "[ . 1 . 2]" 1
1996 1 18 HIS QB 1 21 LYS QE 4.500 . 5.000 3.310 2.201 4.752 . 0 0 "[ . 1 . 2]" 1
1997 1 18 HIS QB 1 28 LEU QD 4.500 . 5.000 4.011 3.501 4.856 . 0 0 "[ . 1 . 2]" 1
1998 1 18 HIS QB 1 36 LEU QD 3.800 . 4.300 1.907 1.788 2.060 0.012 9 0 "[ . 1 . 2]" 1
1999 1 18 HIS QB 1 36 LEU HG 4.500 . 5.000 3.232 2.891 4.116 . 0 0 "[ . 1 . 2]" 1
2000 1 21 LYS HA 1 22 GLU QG 5.200 . 5.700 4.101 3.842 4.311 . 0 0 "[ . 1 . 2]" 1
2001 1 22 GLU H 1 22 GLU QG 3.800 . 4.300 3.005 2.735 3.165 . 0 0 "[ . 1 . 2]" 1
2002 1 27 LYS QE 1 68 GLU HA 5.200 . 5.700 5.035 4.370 5.539 . 0 0 "[ . 1 . 2]" 1
2003 1 27 LYS QE 1 68 GLU HB3 4.500 . 5.000 3.222 2.709 3.858 . 0 0 "[ . 1 . 2]" 1
2004 1 27 LYS QE 1 68 GLU HG2 3.800 . 4.300 2.653 2.008 3.416 . 0 0 "[ . 1 . 2]" 1
2005 1 27 LYS QE 1 70 ASP HA 3.800 . 4.300 2.851 2.206 3.712 . 0 0 "[ . 1 . 2]" 1
2006 1 27 LYS QE 1 70 ASP QB 4.500 . 5.000 3.076 2.194 4.647 . 0 0 "[ . 1 . 2]" 1
2007 1 34 LYS HA 1 34 LYS HD3 3.800 . 4.300 2.587 2.405 2.721 . 0 0 "[ . 1 . 2]" 1
2008 1 34 LYS HB3 1 34 LYS HD3 3.800 . 4.300 3.637 3.588 3.671 . 0 0 "[ . 1 . 2]" 1
2009 1 34 LYS H 1 34 LYS HD3 4.500 . 5.000 4.683 4.536 4.794 . 0 0 "[ . 1 . 2]" 1
2010 1 34 LYS HD2 1 35 GLU HG2 4.500 . 5.000 5.057 5.047 5.072 0.072 4 0 "[ . 1 . 2]" 1
2011 1 34 LYS HD2 1 38 GLN HB3 3.800 . 4.300 3.367 3.178 3.508 . 0 0 "[ . 1 . 2]" 1
2012 1 34 LYS HD2 1 38 GLN HB2 4.500 . 5.000 2.218 2.136 2.260 . 0 0 "[ . 1 . 2]" 1
2013 1 34 LYS HD2 1 38 GLN HG3 5.200 . 5.700 4.381 4.239 4.492 . 0 0 "[ . 1 . 2]" 1
2014 1 34 LYS HD2 1 38 GLN HG2 4.500 . 5.000 5.034 5.013 5.046 0.046 3 0 "[ . 1 . 2]" 1
2015 1 34 LYS HD3 1 54 VAL HA 5.200 . 5.700 4.730 4.437 4.981 . 0 0 "[ . 1 . 2]" 1
2016 1 34 LYS HD3 1 54 VAL HB 4.500 . 5.000 3.923 2.743 4.260 . 0 0 "[ . 1 . 2]" 1
2017 1 46 ASP QB 1 49 LYS HB2 5.200 . 5.700 4.443 3.738 5.712 0.012 18 0 "[ . 1 . 2]" 1
2018 1 49 LYS HB3 1 49 LYS HD3 3.800 . 4.300 3.055 2.533 3.545 . 0 0 "[ . 1 . 2]" 1
2019 1 49 LYS HB3 1 49 LYS QE 4.500 . 5.000 3.577 2.195 4.175 . 0 0 "[ . 1 . 2]" 1
2020 1 49 LYS HB2 1 50 ASP QB 5.200 . 5.700 3.778 3.410 4.240 . 0 0 "[ . 1 . 2]" 1
2021 1 90 TRP HB2 1 90 TRP HD1 3.800 . 4.300 2.878 2.590 3.818 . 0 0 "[ . 1 . 2]" 1
2022 1 90 TRP HB3 1 91 GLU H 4.500 . 5.000 3.780 3.642 4.500 . 0 0 "[ . 1 . 2]" 1
2023 1 14 VAL QG 2 2 SER HA 4.500 . 5.000 4.895 4.686 5.005 0.005 10 0 "[ . 1 . 2]" 1
2024 1 40 GLU QB 2 2 SER QB 4.500 . 5.000 3.361 2.261 5.041 0.041 5 0 "[ . 1 . 2]" 1
2025 1 14 VAL QG 2 3 GLU HA 4.500 . 5.000 4.310 4.187 4.441 . 0 0 "[ . 1 . 2]" 1
2026 1 10 THR MG 2 3 GLU HB2 3.800 . 4.300 2.855 2.437 3.400 . 0 0 "[ . 1 . 2]" 1
2027 1 14 VAL HA 2 3 GLU HG3 5.200 . 5.700 5.765 5.723 5.809 0.109 15 0 "[ . 1 . 2]" 1
2028 1 14 VAL QG 2 3 GLU HG3 3.800 . 4.300 3.468 2.985 4.001 . 0 0 "[ . 1 . 2]" 1
2029 1 14 VAL QG 2 3 GLU HG2 4.500 . 5.000 4.274 4.075 4.588 . 0 0 "[ . 1 . 2]" 1
2030 1 10 THR MG 2 4 LEU HA 3.800 . 4.300 3.277 2.953 3.616 . 0 0 "[ . 1 . 2]" 1
2031 1 14 VAL QG 2 4 LEU HA 3.800 . 4.300 3.092 2.713 3.334 . 0 0 "[ . 1 . 2]" 1
2032 1 14 VAL MG1 2 4 LEU HA 3.800 . 4.300 3.793 3.109 4.137 . 0 0 "[ . 1 . 2]" 1
2033 1 14 VAL MG2 2 4 LEU HA 3.800 . 4.300 3.371 2.754 3.918 . 0 0 "[ . 1 . 2]" 1
2034 1 14 VAL QG 2 4 LEU HB3 4.500 . 5.000 3.513 3.032 3.918 . 0 0 "[ . 1 . 2]" 1
2035 1 40 GLU QB 2 4 LEU HB3 3.800 . 4.300 2.292 2.132 2.603 . 0 0 "[ . 1 . 2]" 1
2036 1 40 GLU HB3 2 4 LEU HB3 4.500 . 5.000 2.318 2.157 2.655 . 0 0 "[ . 1 . 2]" 1
2037 1 40 GLU HB2 2 4 LEU HB3 4.500 . 5.000 3.646 3.340 4.187 . 0 0 "[ . 1 . 2]" 1
2038 1 40 GLU QG 2 4 LEU HB3 4.500 . 5.000 3.448 2.541 3.724 . 0 0 "[ . 1 . 2]" 1
2039 1 40 GLU HG3 2 4 LEU HB3 4.500 . 5.000 4.095 2.576 4.601 . 0 0 "[ . 1 . 2]" 1
2040 1 40 GLU HG2 2 4 LEU HB3 4.500 . 5.000 4.055 3.029 4.979 . 0 0 "[ . 1 . 2]" 1
2041 1 40 GLU QG 2 4 LEU HB2 4.500 . 5.000 3.831 3.089 4.320 . 0 0 "[ . 1 . 2]" 1
2042 1 10 THR MG 2 4 LEU QD 4.500 . 5.000 3.962 3.469 4.801 . 0 0 "[ . 1 . 2]" 1
2043 1 14 VAL HB 2 4 LEU QD 4.500 . 5.000 3.709 3.029 4.388 . 0 0 "[ . 1 . 2]" 1
2044 1 14 VAL QG 2 4 LEU QD 3.800 . 4.300 2.419 2.113 2.697 . 0 0 "[ . 1 . 2]" 1
2045 1 36 LEU HA 2 4 LEU QD 4.500 . 5.000 4.994 4.715 5.075 0.075 3 0 "[ . 1 . 2]" 1
2046 1 36 LEU HB3 2 4 LEU QD 3.800 . 4.300 3.839 3.526 4.182 . 0 0 "[ . 1 . 2]" 1
2047 1 36 LEU QD 2 4 LEU QD 3.800 . 4.300 3.702 3.304 4.013 . 0 0 "[ . 1 . 2]" 1
2048 1 39 THR MG 2 4 LEU QD 4.500 . 5.000 4.829 4.501 5.007 0.007 2 0 "[ . 1 . 2]" 1
2049 1 40 GLU HA 2 4 LEU QD 4.500 . 5.000 4.469 3.890 4.836 . 0 0 "[ . 1 . 2]" 1
2050 1 40 GLU QB 2 4 LEU QD 3.800 . 4.300 2.196 2.035 2.380 . 0 0 "[ . 1 . 2]" 1
2051 1 40 GLU QG 2 4 LEU QD 3.800 . 4.300 3.193 2.098 3.710 . 0 0 "[ . 1 . 2]" 1
2052 1 74 TYR HE2 2 4 LEU QD 4.500 . 5.000 3.713 3.126 4.648 . 0 0 "[ . 1 . 2]" 1
2053 1 78 VAL QG 2 4 LEU QD 4.500 . 5.000 2.781 2.317 3.323 . 0 0 "[ . 1 . 2]" 1
2054 1 14 VAL QG 2 4 LEU HG 4.500 . 5.000 4.281 2.889 4.619 . 0 0 "[ . 1 . 2]" 1
2055 1 40 GLU QG 2 4 LEU HG 5.200 . 5.700 5.360 4.155 5.745 0.045 20 0 "[ . 1 . 2]" 1
2056 1 14 VAL QG 2 4 LEU H 4.500 . 5.000 2.653 2.394 2.950 . 0 0 "[ . 1 . 2]" 1
2057 1 14 VAL MG1 2 4 LEU H 5.200 . 5.700 3.026 2.449 3.440 . 0 0 "[ . 1 . 2]" 1
2058 1 14 VAL MG2 2 4 LEU H 5.200 . 5.700 3.337 2.462 4.201 . 0 0 "[ . 1 . 2]" 1
2059 1 41 LEU QD 2 5 GLU HB2 3.800 . 4.300 3.437 2.116 4.325 0.025 5 0 "[ . 1 . 2]" 1
2060 1 41 LEU QD 2 5 GLU QG 4.500 . 5.000 3.523 1.984 4.558 . 0 0 "[ . 1 . 2]" 1
2061 1 10 THR MG 2 7 ALA HA 4.500 . 5.000 4.008 3.723 4.305 . 0 0 "[ . 1 . 2]" 1
2062 1 10 THR HA 2 7 ALA MB 4.500 . 5.000 5.023 4.977 5.050 0.050 17 0 "[ . 1 . 2]" 1
2063 1 10 THR HB 2 7 ALA MB 3.800 . 4.300 2.770 2.533 2.895 . 0 0 "[ . 1 . 2]" 1
2064 1 10 THR MG 2 7 ALA MB 2.800 . 3.300 2.417 2.176 2.614 . 0 0 "[ . 1 . 2]" 1
2065 1 10 THR H 2 7 ALA MB 4.500 . 5.000 4.858 4.585 5.021 0.021 7 0 "[ . 1 . 2]" 1
2066 1 11 LEU HA 2 7 ALA MB 4.500 . 5.000 3.992 3.669 4.405 . 0 0 "[ . 1 . 2]" 1
2067 1 11 LEU QD 2 7 ALA MB 4.500 . 5.000 2.146 1.807 2.507 . 0 0 "[ . 1 . 2]" 1
2068 1 11 LEU HG 2 7 ALA MB 3.800 . 4.300 3.042 2.613 3.446 . 0 0 "[ . 1 . 2]" 1
2069 1 14 VAL QG 2 7 ALA MB 4.500 . 5.000 3.791 3.514 4.100 . 0 0 "[ . 1 . 2]" 1
2070 1 14 VAL MG1 2 7 ALA MB 4.500 . 5.000 4.729 4.110 5.106 0.106 2 0 "[ . 1 . 2]" 1
2071 1 14 VAL MG2 2 7 ALA MB 4.500 . 5.000 4.091 3.583 4.667 . 0 0 "[ . 1 . 2]" 1
2072 1 10 THR MG 2 7 ALA H 4.500 . 5.000 3.754 3.606 3.935 . 0 0 "[ . 1 . 2]" 1
2073 1 41 LEU HA 2 8 MET ME 5.200 . 5.700 4.464 3.759 5.691 . 0 0 "[ . 1 . 2]" 1
2074 1 41 LEU QD 2 8 MET ME 3.800 . 4.300 2.271 1.796 3.041 0.004 12 0 "[ . 1 . 2]" 1
2075 1 41 LEU MD1 2 8 MET ME 3.800 . 4.300 3.059 2.005 4.305 0.005 17 0 "[ . 1 . 2]" 1
2076 1 41 LEU MD2 2 8 MET ME 3.800 . 4.300 2.407 1.857 3.114 . 0 0 "[ . 1 . 2]" 1
2077 1 41 LEU HG 2 8 MET ME 3.800 . 4.300 3.315 2.212 4.354 0.054 19 0 "[ . 1 . 2]" 1
2078 1 44 PHE HA 2 8 MET ME 5.200 . 5.700 5.751 5.636 5.791 0.091 7 0 "[ . 1 . 2]" 1
2079 1 44 PHE QB 2 8 MET ME 3.800 . 4.300 3.396 3.165 3.895 . 0 0 "[ . 1 . 2]" 1
2080 1 44 PHE HD1 2 8 MET ME 4.500 . 5.000 4.860 4.259 5.094 0.094 15 0 "[ . 1 . 2]" 1
2081 1 44 PHE HD2 2 8 MET ME 4.500 . 5.000 3.369 2.805 4.549 . 0 0 "[ . 1 . 2]" 1
2082 1 82 THR HA 2 8 MET ME 3.800 . 4.300 3.815 2.452 4.316 0.016 11 0 "[ . 1 . 2]" 1
2083 1 82 THR HB 2 8 MET ME 4.500 . 5.000 4.326 3.532 4.937 . 0 0 "[ . 1 . 2]" 1
2084 1 41 LEU QD 2 8 MET QG 4.500 . 5.000 3.215 2.476 3.688 . 0 0 "[ . 1 . 2]" 1
2085 1 78 VAL QG 2 8 MET QG 4.500 . 5.000 3.763 3.246 5.060 0.060 8 0 "[ . 1 . 2]" 1
2086 1 10 THR MG 2 8 MET H 5.200 . 5.700 5.577 5.367 5.699 . 0 0 "[ . 1 . 2]" 1
2087 1 7 ALA MB 2 10 THR HA 4.500 . 5.000 5.023 4.978 5.050 0.050 17 0 "[ . 1 . 2]" 1
2088 1 7 ALA MB 2 10 THR HB 3.800 . 4.300 2.770 2.532 2.896 . 0 0 "[ . 1 . 2]" 1
2089 1 3 GLU HB3 2 10 THR MG 3.800 . 4.300 2.054 1.974 2.370 . 0 0 "[ . 1 . 2]" 1
2090 1 3 GLU HB2 2 10 THR MG 3.800 . 4.300 2.855 2.437 3.400 . 0 0 "[ . 1 . 2]" 1
2091 1 4 LEU HA 2 10 THR MG 3.800 . 4.300 3.277 2.953 3.615 . 0 0 "[ . 1 . 2]" 1
2092 1 4 LEU QD 2 10 THR MG 4.500 . 5.000 3.962 3.470 4.801 . 0 0 "[ . 1 . 2]" 1
2093 1 7 ALA HA 2 10 THR MG 4.500 . 5.000 4.008 3.724 4.305 . 0 0 "[ . 1 . 2]" 1
2094 1 7 ALA MB 2 10 THR MG 2.800 . 3.300 2.417 2.177 2.613 . 0 0 "[ . 1 . 2]" 1
2095 1 7 ALA H 2 10 THR MG 4.500 . 5.000 3.754 3.606 3.935 . 0 0 "[ . 1 . 2]" 1
2096 1 8 MET H 2 10 THR MG 5.200 . 5.700 5.577 5.367 5.699 . 0 0 "[ . 1 . 2]" 1
2097 1 7 ALA MB 2 10 THR H 4.500 . 5.000 4.858 4.585 5.022 0.022 7 0 "[ . 1 . 2]" 1
2098 1 7 ALA MB 2 11 LEU HA 4.500 . 5.000 3.993 3.668 4.405 . 0 0 "[ . 1 . 2]" 1
2099 1 7 ALA MB 2 11 LEU QD 4.500 . 5.000 2.146 1.807 2.507 . 0 0 "[ . 1 . 2]" 1
2100 1 7 ALA MB 2 11 LEU HG 3.800 . 4.300 3.042 2.613 3.446 . 0 0 "[ . 1 . 2]" 1
2101 1 82 THR HA 2 12 ILE MD 4.500 . 5.000 4.573 3.960 4.820 . 0 0 "[ . 1 . 2]" 1
2102 1 82 THR HB 2 12 ILE MD 4.500 . 5.000 4.818 2.967 5.031 0.031 11 0 "[ . 1 . 2]" 1
2103 1 82 THR MG 2 12 ILE MD 3.800 . 4.300 4.285 4.146 4.346 0.046 16 0 "[ . 1 . 2]" 1
2104 1 86 ASN HA 2 12 ILE MD 4.500 . 5.000 4.129 2.798 4.846 . 0 0 "[ . 1 . 2]" 1
2105 1 86 ASN QB 2 12 ILE MD 3.800 . 4.300 3.468 2.026 4.285 . 0 0 "[ . 1 . 2]" 1
2106 1 83 VAL HA 2 12 ILE MG 5.200 . 5.700 5.476 5.058 5.713 0.013 3 0 "[ . 1 . 2]" 1
2107 1 86 ASN QB 2 12 ILE MG 4.500 . 5.000 4.376 3.125 4.983 . 0 0 "[ . 1 . 2]" 1
2108 1 3 GLU HG3 2 14 VAL HA 5.200 . 5.700 5.765 5.724 5.810 0.110 15 0 "[ . 1 . 2]" 1
2109 1 4 LEU QD 2 14 VAL HB 4.500 . 5.000 3.709 3.029 4.387 . 0 0 "[ . 1 . 2]" 1
2110 1 2 SER HA 2 14 VAL QG 4.500 . 5.000 4.895 4.686 5.005 0.005 10 0 "[ . 1 . 2]" 1
2111 1 3 GLU HA 2 14 VAL QG 4.500 . 5.000 4.310 4.188 4.441 . 0 0 "[ . 1 . 2]" 1
2112 1 3 GLU HG3 2 14 VAL QG 3.800 . 4.300 3.468 2.985 3.999 . 0 0 "[ . 1 . 2]" 1
2113 1 3 GLU HG2 2 14 VAL QG 4.500 . 5.000 4.274 4.076 4.588 . 0 0 "[ . 1 . 2]" 1
2114 1 4 LEU HA 2 14 VAL QG 3.800 . 4.300 3.092 2.713 3.335 . 0 0 "[ . 1 . 2]" 1
2115 1 4 LEU HB3 2 14 VAL QG 4.500 . 5.000 3.512 3.032 3.918 . 0 0 "[ . 1 . 2]" 1
2116 1 4 LEU QD 2 14 VAL QG 3.800 . 4.300 2.419 2.113 2.696 . 0 0 "[ . 1 . 2]" 1
2117 1 4 LEU HG 2 14 VAL QG 4.500 . 5.000 4.281 2.891 4.619 . 0 0 "[ . 1 . 2]" 1
2118 1 4 LEU H 2 14 VAL QG 4.500 . 5.000 2.653 2.393 2.951 . 0 0 "[ . 1 . 2]" 1
2119 1 7 ALA MB 2 14 VAL QG 4.500 . 5.000 3.791 3.514 4.100 . 0 0 "[ . 1 . 2]" 1
2120 1 4 LEU HA 2 14 VAL MG1 3.800 . 4.300 3.793 3.109 4.136 . 0 0 "[ . 1 . 2]" 1
2121 1 4 LEU H 2 14 VAL MG1 5.200 . 5.700 3.026 2.450 3.439 . 0 0 "[ . 1 . 2]" 1
2122 1 7 ALA MB 2 14 VAL MG1 4.500 . 5.000 4.729 4.110 5.106 0.106 2 0 "[ . 1 . 2]" 1
2123 1 4 LEU HA 2 14 VAL MG2 3.800 . 4.300 3.371 2.753 3.919 . 0 0 "[ . 1 . 2]" 1
2124 1 4 LEU H 2 14 VAL MG2 5.200 . 5.700 3.337 2.461 4.200 . 0 0 "[ . 1 . 2]" 1
2125 1 7 ALA MB 2 14 VAL MG2 4.500 . 5.000 4.091 3.583 4.667 . 0 0 "[ . 1 . 2]" 1
2126 1 4 LEU QD 2 36 LEU HA 4.500 . 5.000 4.994 4.713 5.075 0.075 3 0 "[ . 1 . 2]" 1
2127 1 4 LEU QD 2 36 LEU HB3 3.800 . 4.300 3.840 3.525 4.182 . 0 0 "[ . 1 . 2]" 1
2128 1 4 LEU QD 2 36 LEU QD 3.800 . 4.300 3.702 3.305 4.013 . 0 0 "[ . 1 . 2]" 1
2129 1 4 LEU QD 2 39 THR MG 4.500 . 5.000 4.829 4.501 5.008 0.008 2 0 "[ . 1 . 2]" 1
2130 1 4 LEU QD 2 40 GLU HA 4.500 . 5.000 4.469 3.888 4.836 . 0 0 "[ . 1 . 2]" 1
2131 1 2 SER QB 2 40 GLU QB 4.500 . 5.000 3.361 2.262 5.042 0.042 5 0 "[ . 1 . 2]" 1
2132 1 4 LEU HB3 2 40 GLU QB 3.800 . 4.300 2.292 2.133 2.604 . 0 0 "[ . 1 . 2]" 1
2133 1 4 LEU QD 2 40 GLU QB 3.800 . 4.300 2.196 2.035 2.380 . 0 0 "[ . 1 . 2]" 1
2134 1 4 LEU HB3 2 40 GLU HB3 4.500 . 5.000 2.318 2.158 2.656 . 0 0 "[ . 1 . 2]" 1
2135 1 4 LEU HB3 2 40 GLU HB2 4.500 . 5.000 3.646 3.341 4.187 . 0 0 "[ . 1 . 2]" 1
2136 1 4 LEU HB3 2 40 GLU QG 4.500 . 5.000 3.448 2.539 3.723 . 0 0 "[ . 1 . 2]" 1
2137 1 4 LEU HB2 2 40 GLU QG 4.500 . 5.000 3.831 3.089 4.320 . 0 0 "[ . 1 . 2]" 1
2138 1 4 LEU QD 2 40 GLU QG 3.800 . 4.300 3.192 2.097 3.711 . 0 0 "[ . 1 . 2]" 1
2139 1 4 LEU HG 2 40 GLU QG 5.200 . 5.700 5.360 4.154 5.744 0.044 20 0 "[ . 1 . 2]" 1
2140 1 4 LEU HB3 2 40 GLU HG3 4.500 . 5.000 4.095 2.575 4.601 . 0 0 "[ . 1 . 2]" 1
2141 1 4 LEU HB3 2 40 GLU HG2 4.500 . 5.000 4.055 3.029 4.979 . 0 0 "[ . 1 . 2]" 1
2142 1 8 MET ME 2 41 LEU HA 5.200 . 5.700 4.463 3.758 5.691 . 0 0 "[ . 1 . 2]" 1
2143 1 5 GLU QG 2 41 LEU QD 4.500 . 5.000 3.524 1.985 4.557 . 0 0 "[ . 1 . 2]" 1
2144 1 8 MET ME 2 41 LEU QD 3.800 . 4.300 2.271 1.796 3.041 0.004 12 0 "[ . 1 . 2]" 1
2145 1 8 MET QG 2 41 LEU QD 4.500 . 5.000 3.215 2.478 3.688 . 0 0 "[ . 1 . 2]" 1
2146 1 8 MET ME 2 41 LEU MD1 3.800 . 4.300 3.060 2.005 4.306 0.006 17 0 "[ . 1 . 2]" 1
2147 1 8 MET ME 2 41 LEU MD2 3.800 . 4.300 2.407 1.856 3.113 . 0 0 "[ . 1 . 2]" 1
2148 1 8 MET ME 2 41 LEU HG 3.800 . 4.300 3.315 2.211 4.353 0.053 19 0 "[ . 1 . 2]" 1
2149 1 8 MET ME 2 44 PHE HA 5.200 . 5.700 5.751 5.636 5.791 0.091 7 0 "[ . 1 . 2]" 1
2150 1 8 MET ME 2 44 PHE QB 3.800 . 4.300 3.396 3.165 3.894 . 0 0 "[ . 1 . 2]" 1
2151 1 8 MET ME 2 44 PHE HD1 4.500 . 5.000 4.860 4.259 5.094 0.094 15 0 "[ . 1 . 2]" 1
2152 1 8 MET ME 2 44 PHE HD2 4.500 . 5.000 3.369 2.806 4.551 . 0 0 "[ . 1 . 2]" 1
2153 1 83 VAL HA 2 71 PHE HD2 4.500 . 5.000 4.456 3.850 5.024 0.024 5 0 "[ . 1 . 2]" 1
2154 1 83 VAL QG 2 71 PHE HD2 3.800 . 4.300 2.378 2.055 2.689 . 0 0 "[ . 1 . 2]" 1
2155 1 82 THR MG 2 71 PHE HE2 4.500 . 5.000 3.981 3.333 4.930 . 0 0 "[ . 1 . 2]" 1
2156 1 83 VAL HA 2 71 PHE HE2 4.500 . 5.000 3.485 2.782 4.075 . 0 0 "[ . 1 . 2]" 1
2157 1 83 VAL HB 2 71 PHE HE2 4.500 . 5.000 5.013 4.896 5.062 0.062 1 0 "[ . 1 . 2]" 1
2158 1 83 VAL QG 2 71 PHE HE2 3.800 . 4.300 2.169 2.105 2.287 . 0 0 "[ . 1 . 2]" 1
2159 1 83 VAL MG1 2 71 PHE HE2 4.500 . 5.000 3.724 3.346 4.226 . 0 0 "[ . 1 . 2]" 1
2160 1 83 VAL MG2 2 71 PHE HE2 4.500 . 5.000 2.186 2.117 2.325 . 0 0 "[ . 1 . 2]" 1
2161 1 83 VAL QG 2 72 GLN HA 3.800 . 4.300 2.406 2.120 2.796 . 0 0 "[ . 1 . 2]" 1
2162 1 83 VAL MG1 2 72 GLN HA 4.500 . 5.000 3.180 2.384 3.705 . 0 0 "[ . 1 . 2]" 1
2163 1 83 VAL MG2 2 72 GLN HA 4.500 . 5.000 2.537 2.191 2.994 . 0 0 "[ . 1 . 2]" 1
2164 1 83 VAL QG 2 72 GLN QB 3.800 . 4.300 3.051 2.351 3.728 . 0 0 "[ . 1 . 2]" 1
2165 1 83 VAL QG 2 72 GLN QG 3.800 . 4.300 2.367 1.993 2.961 . 0 0 "[ . 1 . 2]" 1
2166 1 83 VAL MG1 2 72 GLN HG3 4.500 . 5.000 2.916 2.277 3.425 . 0 0 "[ . 1 . 2]" 1
2167 1 83 VAL MG2 2 72 GLN HG3 4.500 . 5.000 3.425 2.407 4.752 . 0 0 "[ . 1 . 2]" 1
2168 1 83 VAL MG1 2 72 GLN HG2 4.500 . 5.000 3.557 2.035 4.751 . 0 0 "[ . 1 . 2]" 1
2169 1 83 VAL MG2 2 72 GLN HG2 4.500 . 5.000 3.857 2.582 4.863 . 0 0 "[ . 1 . 2]" 1
2170 1 83 VAL QG 2 72 GLN H 5.200 . 5.700 3.851 3.350 4.259 . 0 0 "[ . 1 . 2]" 1
2171 1 4 LEU QD 2 74 TYR HE2 4.500 . 5.000 3.713 3.127 4.648 . 0 0 "[ . 1 . 2]" 1
2172 1 79 ALA MB 2 75 VAL HA 4.500 . 5.000 3.582 3.246 3.868 . 0 0 "[ . 1 . 2]" 1
2173 1 79 ALA HA 2 75 VAL HB 4.500 . 5.000 3.935 2.754 5.106 0.106 20 0 "[ . 1 . 2]" 1
2174 1 83 VAL QG 2 75 VAL HB 4.500 . 5.000 3.095 2.265 3.756 . 0 0 "[ . 1 . 2]" 1
2175 1 79 ALA HA 2 75 VAL QG 4.500 . 5.000 3.152 2.143 3.999 . 0 0 "[ . 1 . 2]" 1
2176 1 79 ALA MB 2 75 VAL QG 3.800 . 4.300 2.151 1.853 2.728 . 0 0 "[ . 1 . 2]" 1
2177 1 80 ALA HA 2 75 VAL QG 3.800 . 4.300 3.180 2.478 4.040 . 0 0 "[ . 1 . 2]" 1
2178 1 80 ALA MB 2 75 VAL QG 4.500 . 5.000 4.023 3.397 4.716 . 0 0 "[ . 1 . 2]" 1
2179 1 82 THR HB 2 75 VAL QG 5.200 . 5.700 5.006 3.841 5.718 0.018 19 0 "[ . 1 . 2]" 1
2180 1 82 THR MG 2 75 VAL QG 3.800 . 4.300 2.686 2.075 3.248 . 0 0 "[ . 1 . 2]" 1
2181 1 83 VAL HA 2 75 VAL QG 4.500 . 5.000 4.198 3.865 4.440 . 0 0 "[ . 1 . 2]" 1
2182 1 83 VAL HB 2 75 VAL QG 4.500 . 5.000 3.725 3.045 4.065 . 0 0 "[ . 1 . 2]" 1
2183 1 83 VAL QG 2 75 VAL QG 2.800 . 3.300 1.892 1.776 2.014 0.024 6 0 "[ . 1 . 2]" 1
2184 1 79 ALA MB 2 75 VAL MG1 4.500 . 5.000 2.960 1.857 3.958 . 0 0 "[ . 1 . 2]" 1
2185 1 83 VAL HA 2 75 VAL MG1 5.200 . 5.700 4.720 4.323 5.100 . 0 0 "[ . 1 . 2]" 1
2186 1 79 ALA MB 2 75 VAL MG2 4.500 . 5.000 2.958 2.045 4.144 . 0 0 "[ . 1 . 2]" 1
2187 1 83 VAL HA 2 75 VAL MG2 5.200 . 5.700 4.763 4.146 5.218 . 0 0 "[ . 1 . 2]" 1
2188 1 79 ALA MB 2 76 VAL HA 4.500 . 5.000 2.262 2.048 2.487 . 0 0 "[ . 1 . 2]" 1
2189 1 79 ALA MB 2 76 VAL QG 3.800 . 4.300 2.783 2.397 3.217 . 0 0 "[ . 1 . 2]" 1
2190 1 80 ALA HA 2 76 VAL QG 4.500 . 5.000 3.630 3.269 4.015 . 0 0 "[ . 1 . 2]" 1
2191 1 80 ALA MB 2 76 VAL QG 3.800 . 4.300 2.970 2.720 3.274 . 0 0 "[ . 1 . 2]" 1
2192 1 79 ALA MB 2 76 VAL MG1 4.500 . 5.000 3.599 2.415 4.057 . 0 0 "[ . 1 . 2]" 1
2193 1 80 ALA MB 2 76 VAL MG1 4.500 . 5.000 4.393 2.826 4.955 . 0 0 "[ . 1 . 2]" 1
2194 1 79 ALA MB 2 76 VAL MG2 4.500 . 5.000 3.045 2.540 4.282 . 0 0 "[ . 1 . 2]" 1
2195 1 80 ALA MB 2 76 VAL MG2 4.500 . 5.000 3.226 2.758 5.036 0.036 7 0 "[ . 1 . 2]" 1
2196 1 80 ALA HA 2 76 VAL H 5.200 . 5.700 5.606 5.323 5.724 0.024 1 0 "[ . 1 . 2]" 1
2197 1 80 ALA MB 2 76 VAL H 5.200 . 5.700 5.636 5.310 5.750 0.050 2 0 "[ . 1 . 2]" 1
2198 1 4 LEU QD 2 78 VAL QG 4.500 . 5.000 2.781 2.318 3.323 . 0 0 "[ . 1 . 2]" 1
2199 1 8 MET QG 2 78 VAL QG 4.500 . 5.000 3.763 3.246 5.060 0.060 8 0 "[ . 1 . 2]" 1
2200 1 75 VAL HB 2 79 ALA HA 4.500 . 5.000 3.935 2.754 5.105 0.105 20 0 "[ . 1 . 2]" 1
2201 1 75 VAL QG 2 79 ALA HA 4.500 . 5.000 3.151 2.144 3.999 . 0 0 "[ . 1 . 2]" 1
2202 1 75 VAL HA 2 79 ALA MB 4.500 . 5.000 3.582 3.245 3.868 . 0 0 "[ . 1 . 2]" 1
2203 1 75 VAL QG 2 79 ALA MB 3.800 . 4.300 2.152 1.853 2.727 . 0 0 "[ . 1 . 2]" 1
2204 1 75 VAL MG1 2 79 ALA MB 4.500 . 5.000 2.960 1.857 3.958 . 0 0 "[ . 1 . 2]" 1
2205 1 75 VAL MG2 2 79 ALA MB 4.500 . 5.000 2.958 2.044 4.143 . 0 0 "[ . 1 . 2]" 1
2206 1 76 VAL HA 2 79 ALA MB 4.500 . 5.000 2.262 2.049 2.486 . 0 0 "[ . 1 . 2]" 1
2207 1 76 VAL QG 2 79 ALA MB 3.800 . 4.300 2.783 2.397 3.215 . 0 0 "[ . 1 . 2]" 1
2208 1 76 VAL MG1 2 79 ALA MB 4.500 . 5.000 3.599 2.415 4.055 . 0 0 "[ . 1 . 2]" 1
2209 1 76 VAL MG2 2 79 ALA MB 4.500 . 5.000 3.045 2.541 4.283 . 0 0 "[ . 1 . 2]" 1
2210 1 75 VAL QG 2 80 ALA HA 3.800 . 4.300 3.180 2.478 4.041 . 0 0 "[ . 1 . 2]" 1
2211 1 76 VAL QG 2 80 ALA HA 4.500 . 5.000 3.630 3.268 4.015 . 0 0 "[ . 1 . 2]" 1
2212 1 76 VAL H 2 80 ALA HA 5.200 . 5.700 5.606 5.323 5.723 0.023 1 0 "[ . 1 . 2]" 1
2213 1 75 VAL QG 2 80 ALA MB 4.500 . 5.000 4.023 3.397 4.716 . 0 0 "[ . 1 . 2]" 1
2214 1 76 VAL QG 2 80 ALA MB 3.800 . 4.300 2.970 2.720 3.274 . 0 0 "[ . 1 . 2]" 1
2215 1 76 VAL MG1 2 80 ALA MB 4.500 . 5.000 4.393 2.828 4.955 . 0 0 "[ . 1 . 2]" 1
2216 1 76 VAL MG2 2 80 ALA MB 4.500 . 5.000 3.226 2.758 5.037 0.037 7 0 "[ . 1 . 2]" 1
2217 1 76 VAL H 2 80 ALA MB 5.200 . 5.700 5.636 5.310 5.750 0.050 2 0 "[ . 1 . 2]" 1
2218 1 8 MET ME 2 82 THR HA 3.800 . 4.300 3.815 2.453 4.316 0.016 11 0 "[ . 1 . 2]" 1
2219 1 12 ILE MD 2 82 THR HA 4.500 . 5.000 4.573 3.959 4.820 . 0 0 "[ . 1 . 2]" 1
2220 1 8 MET ME 2 82 THR HB 4.500 . 5.000 4.326 3.532 4.937 . 0 0 "[ . 1 . 2]" 1
2221 1 12 ILE MD 2 82 THR HB 4.500 . 5.000 4.818 2.967 5.030 0.030 11 0 "[ . 1 . 2]" 1
2222 1 75 VAL QG 2 82 THR HB 5.200 . 5.700 5.006 3.842 5.718 0.018 19 0 "[ . 1 . 2]" 1
2223 1 12 ILE MD 2 82 THR MG 3.800 . 4.300 4.285 4.146 4.346 0.046 16 0 "[ . 1 . 2]" 1
2224 1 71 PHE HE2 2 82 THR MG 4.500 . 5.000 3.981 3.334 4.930 . 0 0 "[ . 1 . 2]" 1
2225 1 75 VAL QG 2 82 THR MG 3.800 . 4.300 2.686 2.075 3.247 . 0 0 "[ . 1 . 2]" 1
2226 1 12 ILE MG 2 83 VAL HA 5.200 . 5.700 5.476 5.058 5.713 0.013 3 0 "[ . 1 . 2]" 1
2227 1 71 PHE HD2 2 83 VAL HA 4.500 . 5.000 4.456 3.851 5.023 0.023 5 0 "[ . 1 . 2]" 1
2228 1 71 PHE HE2 2 83 VAL HA 4.500 . 5.000 3.484 2.782 4.075 . 0 0 "[ . 1 . 2]" 1
2229 1 75 VAL QG 2 83 VAL HA 4.500 . 5.000 4.198 3.865 4.440 . 0 0 "[ . 1 . 2]" 1
2230 1 75 VAL MG1 2 83 VAL HA 5.200 . 5.700 4.720 4.323 5.100 . 0 0 "[ . 1 . 2]" 1
2231 1 75 VAL MG2 2 83 VAL HA 5.200 . 5.700 4.763 4.146 5.217 . 0 0 "[ . 1 . 2]" 1
2232 1 71 PHE HE2 2 83 VAL HB 4.500 . 5.000 5.013 4.897 5.062 0.062 1 0 "[ . 1 . 2]" 1
2233 1 75 VAL QG 2 83 VAL HB 4.500 . 5.000 3.725 3.044 4.066 . 0 0 "[ . 1 . 2]" 1
2234 1 71 PHE HD2 2 83 VAL QG 3.800 . 4.300 2.378 2.057 2.689 . 0 0 "[ . 1 . 2]" 1
2235 1 71 PHE HE2 2 83 VAL QG 3.800 . 4.300 2.169 2.106 2.287 . 0 0 "[ . 1 . 2]" 1
2236 1 72 GLN HA 2 83 VAL QG 3.800 . 4.300 2.406 2.120 2.798 . 0 0 "[ . 1 . 2]" 1
2237 1 72 GLN QB 2 83 VAL QG 3.800 . 4.300 3.051 2.350 3.730 . 0 0 "[ . 1 . 2]" 1
2238 1 72 GLN QG 2 83 VAL QG 3.800 . 4.300 2.367 1.992 2.961 . 0 0 "[ . 1 . 2]" 1
2239 1 72 GLN H 2 83 VAL QG 5.200 . 5.700 3.851 3.350 4.258 . 0 0 "[ . 1 . 2]" 1
2240 1 75 VAL HB 2 83 VAL QG 4.500 . 5.000 3.095 2.264 3.756 . 0 0 "[ . 1 . 2]" 1
2241 1 75 VAL QG 2 83 VAL QG 2.800 . 3.300 1.892 1.776 2.014 0.024 6 0 "[ . 1 . 2]" 1
2242 1 71 PHE HE2 2 83 VAL MG1 4.500 . 5.000 3.723 3.345 4.225 . 0 0 "[ . 1 . 2]" 1
2243 1 72 GLN HA 2 83 VAL MG1 4.500 . 5.000 3.179 2.385 3.705 . 0 0 "[ . 1 . 2]" 1
2244 1 72 GLN HG3 2 83 VAL MG1 4.500 . 5.000 2.916 2.277 3.425 . 0 0 "[ . 1 . 2]" 1
2245 1 72 GLN HG2 2 83 VAL MG1 4.500 . 5.000 3.557 2.036 4.751 . 0 0 "[ . 1 . 2]" 1
2246 1 71 PHE HE2 2 83 VAL MG2 4.500 . 5.000 2.186 2.118 2.325 . 0 0 "[ . 1 . 2]" 1
2247 1 72 GLN HA 2 83 VAL MG2 4.500 . 5.000 2.537 2.191 2.992 . 0 0 "[ . 1 . 2]" 1
2248 1 72 GLN HG3 2 83 VAL MG2 4.500 . 5.000 3.425 2.407 4.752 . 0 0 "[ . 1 . 2]" 1
2249 1 72 GLN HG2 2 83 VAL MG2 4.500 . 5.000 3.857 2.580 4.862 . 0 0 "[ . 1 . 2]" 1
2250 1 12 ILE MD 2 86 ASN HA 4.500 . 5.000 4.128 2.799 4.847 . 0 0 "[ . 1 . 2]" 1
2251 1 12 ILE MD 2 86 ASN QB 3.800 . 4.300 3.468 2.027 4.284 . 0 0 "[ . 1 . 2]" 1
2252 1 12 ILE MG 2 86 ASN QB 4.500 . 5.000 4.376 3.128 4.983 . 0 0 "[ . 1 . 2]" 1
2253 1 5 GLU QB 2 41 LEU QD 3.800 . 4.300 3.338 2.097 4.197 . 0 0 "[ . 1 . 2]" 1
2254 1 3 GLU QB 2 14 VAL QG 3.800 . 4.300 2.005 1.921 2.148 . 0 0 "[ . 1 . 2]" 1
2255 1 3 GLU QB 2 10 THR MG 3.800 . 4.300 2.009 1.934 2.328 . 0 0 "[ . 1 . 2]" 1
2256 1 3 GLU HB2 2 14 VAL QG 3.800 . 4.300 2.033 1.951 2.193 . 0 0 "[ . 1 . 2]" 1
2257 1 41 LEU QD 2 5 GLU QB 3.800 . 4.300 3.337 2.096 4.180 . 0 0 "[ . 1 . 2]" 1
2258 1 14 VAL QG 2 3 GLU QB 3.800 . 4.300 2.004 1.921 2.148 . 0 0 "[ . 1 . 2]" 1
2259 1 14 VAL QG 2 3 GLU HB2 3.800 . 4.300 2.033 1.951 2.192 . 0 0 "[ . 1 . 2]" 1
2260 1 10 THR MG 2 3 GLU QB 3.800 . 4.300 2.009 1.934 2.329 . 0 0 "[ . 1 . 2]" 1
2261 1 10 THR MG 2 3 GLU HB3 3.800 . 4.300 2.055 1.974 2.372 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 116
_Distance_constraint_stats_list.Viol_count 1078
_Distance_constraint_stats_list.Viol_total 369.817
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0172
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 0.099 0.015 17 0 "[ . 1 . 2]"
1 4 LEU 0.445 0.053 15 0 "[ . 1 . 2]"
1 6 THR 0.106 0.013 18 0 "[ . 1 . 2]"
1 7 ALA 0.688 0.038 2 0 "[ . 1 . 2]"
1 8 MET 0.445 0.053 15 0 "[ . 1 . 2]"
1 9 GLU 0.224 0.037 13 0 "[ . 1 . 2]"
1 10 THR 0.332 0.032 13 0 "[ . 1 . 2]"
1 11 LEU 1.414 0.049 13 0 "[ . 1 . 2]"
1 12 ILE 0.164 0.029 2 0 "[ . 1 . 2]"
1 13 ASN 0.224 0.037 13 0 "[ . 1 . 2]"
1 14 VAL 0.226 0.032 13 0 "[ . 1 . 2]"
1 15 PHE 1.000 0.049 13 0 "[ . 1 . 2]"
1 16 HIS 0.164 0.029 2 0 "[ . 1 . 2]"
1 19 SER 0.175 0.033 14 0 "[ . 1 . 2]"
1 29 SER 0.342 0.041 15 0 "[ . 1 . 2]"
1 30 LYS 0.111 0.021 8 0 "[ . 1 . 2]"
1 31 LYS 0.325 0.030 4 0 "[ . 1 . 2]"
1 32 GLU 0.071 0.013 13 0 "[ . 1 . 2]"
1 33 LEU 0.690 0.041 15 0 "[ . 1 . 2]"
1 34 LYS 0.208 0.031 11 0 "[ . 1 . 2]"
1 35 GLU 0.429 0.030 4 0 "[ . 1 . 2]"
1 36 LEU 0.194 0.024 11 0 "[ . 1 . 2]"
1 37 LEU 0.933 0.081 11 0 "[ . 1 . 2]"
1 38 GLN 0.097 0.031 11 0 "[ . 1 . 2]"
1 39 THR 0.104 0.014 6 0 "[ . 1 . 2]"
1 40 GLU 0.123 0.024 11 0 "[ . 1 . 2]"
1 41 LEU 0.985 0.081 11 0 "[ . 1 . 2]"
1 45 LEU 0.401 0.044 20 0 "[ . 1 . 2]"
1 53 ALA 0.133 0.026 13 0 "[ . 1 . 2]"
1 54 VAL 0.315 0.031 15 0 "[ . 1 . 2]"
1 55 ASP 0.587 0.053 6 0 "[ . 1 . 2]"
1 57 VAL 0.133 0.026 13 0 "[ . 1 . 2]"
1 58 MET 0.630 0.056 15 0 "[ . 1 . 2]"
1 59 LYS 0.587 0.053 6 0 "[ . 1 . 2]"
1 62 ASP 0.314 0.056 15 0 "[ . 1 . 2]"
1 70 ASP 0.222 0.040 13 0 "[ . 1 . 2]"
1 71 PHE 0.056 0.013 5 0 "[ . 1 . 2]"
1 74 TYR 0.986 0.051 20 0 "[ . 1 . 2]"
1 75 VAL 0.056 0.013 5 0 "[ . 1 . 2]"
1 78 VAL 1.305 0.051 20 0 "[ . 1 . 2]"
1 81 LEU 0.304 0.024 2 0 "[ . 1 . 2]"
1 82 THR 0.541 0.046 19 0 "[ . 1 . 2]"
1 85 CYS 0.304 0.024 2 0 "[ . 1 . 2]"
1 86 ASN 0.639 0.060 4 0 "[ . 1 . 2]"
1 90 TRP 0.639 0.060 4 0 "[ . 1 . 2]"
2 3 GLU 0.100 0.015 17 0 "[ . 1 . 2]"
2 4 LEU 0.446 0.052 15 0 "[ . 1 . 2]"
2 6 THR 0.105 0.013 18 0 "[ . 1 . 2]"
2 7 ALA 0.687 0.038 2 0 "[ . 1 . 2]"
2 8 MET 0.446 0.052 15 0 "[ . 1 . 2]"
2 9 GLU 0.227 0.038 13 0 "[ . 1 . 2]"
2 10 THR 0.325 0.031 13 0 "[ . 1 . 2]"
2 11 LEU 1.412 0.048 14 0 "[ . 1 . 2]"
2 12 ILE 0.160 0.030 2 0 "[ . 1 . 2]"
2 13 ASN 0.227 0.038 13 0 "[ . 1 . 2]"
2 14 VAL 0.219 0.031 13 0 "[ . 1 . 2]"
2 15 PHE 1.001 0.048 14 0 "[ . 1 . 2]"
2 16 HIS 0.160 0.030 2 0 "[ . 1 . 2]"
2 19 SER 0.176 0.034 14 0 "[ . 1 . 2]"
2 29 SER 0.341 0.041 15 0 "[ . 1 . 2]"
2 30 LYS 0.108 0.020 8 0 "[ . 1 . 2]"
2 31 LYS 0.327 0.030 4 0 "[ . 1 . 2]"
2 32 GLU 0.068 0.013 13 0 "[ . 1 . 2]"
2 33 LEU 0.696 0.041 15 0 "[ . 1 . 2]"
2 34 LYS 0.212 0.030 11 0 "[ . 1 . 2]"
2 35 GLU 0.436 0.030 4 0 "[ . 1 . 2]"
2 36 LEU 0.194 0.025 11 0 "[ . 1 . 2]"
2 37 LEU 0.932 0.080 11 0 "[ . 1 . 2]"
2 38 GLN 0.104 0.030 11 0 "[ . 1 . 2]"
2 39 THR 0.109 0.013 7 0 "[ . 1 . 2]"
2 40 GLU 0.126 0.025 11 0 "[ . 1 . 2]"
2 41 LEU 0.977 0.080 11 0 "[ . 1 . 2]"
2 45 LEU 0.400 0.043 20 0 "[ . 1 . 2]"
2 53 ALA 0.129 0.027 13 0 "[ . 1 . 2]"
2 54 VAL 0.322 0.031 15 0 "[ . 1 . 2]"
2 55 ASP 0.591 0.053 6 0 "[ . 1 . 2]"
2 57 VAL 0.129 0.027 13 0 "[ . 1 . 2]"
2 58 MET 0.635 0.055 15 0 "[ . 1 . 2]"
2 59 LYS 0.591 0.053 6 0 "[ . 1 . 2]"
2 62 ASP 0.313 0.055 15 0 "[ . 1 . 2]"
2 70 ASP 0.223 0.040 13 0 "[ . 1 . 2]"
2 71 PHE 0.053 0.014 5 0 "[ . 1 . 2]"
2 74 TYR 0.989 0.051 20 0 "[ . 1 . 2]"
2 75 VAL 0.053 0.014 5 0 "[ . 1 . 2]"
2 78 VAL 1.313 0.051 20 0 "[ . 1 . 2]"
2 81 LEU 0.306 0.025 2 0 "[ . 1 . 2]"
2 82 THR 0.547 0.045 19 0 "[ . 1 . 2]"
2 85 CYS 0.306 0.025 2 0 "[ . 1 . 2]"
2 86 ASN 0.642 0.059 4 0 "[ . 1 . 2]"
2 90 TRP 0.642 0.059 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU O 1 7 ALA H 1.850 . 1.950 1.919 1.847 1.965 0.015 17 0 "[ . 1 . 2]" 2
2 1 3 GLU O 1 7 ALA N 2.850 2.750 2.950 2.792 2.738 2.894 0.012 20 0 "[ . 1 . 2]" 2
3 1 4 LEU O 1 8 MET H 1.850 . 1.950 1.964 1.793 2.003 0.053 15 0 "[ . 1 . 2]" 2
4 1 4 LEU O 1 8 MET N 2.850 2.750 2.950 2.912 2.749 2.954 0.004 5 0 "[ . 1 . 2]" 2
5 1 6 THR O 1 10 THR H 1.850 . 1.950 1.927 1.878 1.961 0.011 17 0 "[ . 1 . 2]" 2
6 1 6 THR O 1 10 THR N 2.850 2.750 2.950 2.756 2.737 2.853 0.013 18 0 "[ . 1 . 2]" 2
7 1 7 ALA O 1 11 LEU H 1.850 . 1.950 1.979 1.969 1.988 0.038 2 0 "[ . 1 . 2]" 2
8 1 7 ALA O 1 11 LEU N 2.850 2.750 2.950 2.929 2.888 2.954 0.004 2 0 "[ . 1 . 2]" 2
9 1 9 GLU O 1 13 ASN H 1.850 . 1.950 1.839 1.782 1.957 0.007 17 0 "[ . 1 . 2]" 2
10 1 9 GLU O 1 13 ASN N 2.850 2.750 2.950 2.761 2.713 2.857 0.037 13 0 "[ . 1 . 2]" 2
11 1 10 THR O 1 14 VAL H 1.850 . 1.950 1.958 1.898 1.982 0.032 13 0 "[ . 1 . 2]" 2
12 1 10 THR O 1 14 VAL N 2.850 2.750 2.950 2.872 2.822 2.909 . 0 0 "[ . 1 . 2]" 2
13 1 11 LEU O 1 15 PHE H 1.850 . 1.950 1.985 1.975 1.999 0.049 13 0 "[ . 1 . 2]" 2
14 1 11 LEU O 1 15 PHE N 2.850 2.750 2.950 2.934 2.877 2.977 0.027 17 0 "[ . 1 . 2]" 2
15 1 12 ILE O 1 16 HIS H 1.850 . 1.950 1.835 1.758 1.961 0.011 4 0 "[ . 1 . 2]" 2
16 1 12 ILE O 1 16 HIS N 2.850 2.750 2.950 2.772 2.721 2.926 0.029 2 0 "[ . 1 . 2]" 2
17 1 15 PHE O 1 19 SER H 1.850 . 1.950 1.952 1.878 1.983 0.033 14 0 "[ . 1 . 2]" 2
18 1 15 PHE O 1 19 SER N 2.850 2.750 2.950 2.843 2.741 2.891 0.009 6 0 "[ . 1 . 2]" 2
19 1 29 SER O 1 33 LEU H 1.850 . 1.950 1.784 1.745 1.952 0.005 11 0 "[ . 1 . 2]" 2
20 1 29 SER O 1 33 LEU N 2.850 2.750 2.950 2.741 2.709 2.892 0.041 15 0 "[ . 1 . 2]" 2
21 1 30 LYS O 1 34 LYS H 1.850 . 1.950 1.923 1.821 1.971 0.021 8 0 "[ . 1 . 2]" 2
22 1 30 LYS O 1 34 LYS N 2.850 2.750 2.950 2.827 2.745 2.886 0.005 6 0 "[ . 1 . 2]" 2
23 1 31 LYS O 1 35 GLU H 1.850 . 1.950 1.966 1.952 1.980 0.030 4 0 "[ . 1 . 2]" 2
24 1 31 LYS O 1 35 GLU N 2.850 2.750 2.950 2.909 2.880 2.940 . 0 0 "[ . 1 . 2]" 2
25 1 32 GLU O 1 36 LEU H 1.850 . 1.950 1.882 1.793 1.961 0.011 14 0 "[ . 1 . 2]" 2
26 1 32 GLU O 1 36 LEU N 2.850 2.750 2.950 2.799 2.737 2.896 0.013 13 0 "[ . 1 . 2]" 2
27 1 33 LEU O 1 37 LEU H 1.850 . 1.950 1.959 1.844 1.975 0.025 20 0 "[ . 1 . 2]" 2
28 1 33 LEU O 1 37 LEU N 2.850 2.750 2.950 2.940 2.820 2.958 0.008 14 0 "[ . 1 . 2]" 2
29 1 34 LYS O 1 38 GLN H 1.850 . 1.950 1.928 1.839 1.962 0.012 6 0 "[ . 1 . 2]" 2
30 1 34 LYS O 1 38 GLN N 2.850 2.750 2.950 2.817 2.719 2.854 0.031 11 0 "[ . 1 . 2]" 2
31 1 35 GLU O 1 39 THR H 1.850 . 1.950 1.878 1.831 1.964 0.014 6 0 "[ . 1 . 2]" 2
32 1 35 GLU O 1 39 THR N 2.850 2.750 2.950 2.780 2.737 2.897 0.013 7 0 "[ . 1 . 2]" 2
33 1 36 LEU O 1 40 GLU H 1.850 . 1.950 1.927 1.837 1.974 0.024 11 0 "[ . 1 . 2]" 2
34 1 36 LEU O 1 40 GLU N 2.850 2.750 2.950 2.810 2.741 2.873 0.009 15 0 "[ . 1 . 2]" 2
35 1 37 LEU O 1 41 LEU H 1.850 . 1.950 1.975 1.952 2.031 0.081 11 0 "[ . 1 . 2]" 2
36 1 37 LEU O 1 41 LEU N 2.850 2.750 2.950 2.782 2.690 2.859 0.060 11 0 "[ . 1 . 2]" 2
37 1 41 LEU O 1 45 LEU H 1.850 . 1.950 1.955 1.794 1.994 0.044 20 0 "[ . 1 . 2]" 2
38 1 41 LEU O 1 45 LEU N 2.850 2.750 2.950 2.782 2.729 2.826 0.021 11 0 "[ . 1 . 2]" 2
39 1 53 ALA O 1 57 VAL H 1.850 . 1.950 1.933 1.830 1.976 0.026 13 0 "[ . 1 . 2]" 2
40 1 53 ALA O 1 57 VAL N 2.850 2.750 2.950 2.844 2.743 2.913 0.007 9 0 "[ . 1 . 2]" 2
41 1 54 VAL O 1 58 MET H 1.850 . 1.950 1.966 1.953 1.981 0.031 15 0 "[ . 1 . 2]" 2
42 1 54 VAL O 1 58 MET N 2.850 2.750 2.950 2.921 2.881 2.955 0.005 15 0 "[ . 1 . 2]" 2
43 1 55 ASP O 1 59 LYS H 1.850 . 1.950 1.979 1.967 2.003 0.053 6 0 "[ . 1 . 2]" 2
44 1 55 ASP O 1 59 LYS N 2.850 2.750 2.950 2.911 2.822 2.956 0.006 19 0 "[ . 1 . 2]" 2
45 1 58 MET O 1 62 ASP H 1.850 . 1.950 1.960 1.895 1.983 0.033 2 0 "[ . 1 . 2]" 2
46 1 58 MET O 1 62 ASP N 2.850 2.750 2.950 2.854 2.694 2.955 0.056 15 0 "[ . 1 . 2]" 2
47 1 70 ASP O 1 74 TYR H 1.850 . 1.950 1.950 1.849 1.990 0.040 13 0 "[ . 1 . 2]" 2
48 1 70 ASP O 1 74 TYR N 2.850 2.750 2.950 2.890 2.792 2.937 . 0 0 "[ . 1 . 2]" 2
49 1 71 PHE O 1 75 VAL H 1.850 . 1.950 1.886 1.787 1.963 0.013 5 0 "[ . 1 . 2]" 2
50 1 71 PHE O 1 75 VAL N 2.850 2.750 2.950 2.833 2.744 2.920 0.006 11 0 "[ . 1 . 2]" 2
51 1 74 TYR O 1 78 VAL H 1.850 . 1.950 1.986 1.966 2.001 0.051 20 0 "[ . 1 . 2]" 2
52 1 74 TYR O 1 78 VAL N 2.850 2.750 2.950 2.938 2.907 2.961 0.011 19 0 "[ . 1 . 2]" 2
53 1 78 VAL O 1 82 THR H 1.850 . 1.950 1.977 1.953 1.996 0.046 19 0 "[ . 1 . 2]" 2
54 1 78 VAL O 1 82 THR N 2.850 2.750 2.950 2.919 2.846 2.950 . 0 0 "[ . 1 . 2]" 2
55 1 81 LEU O 1 85 CYS H 1.850 . 1.950 1.965 1.957 1.974 0.024 2 0 "[ . 1 . 2]" 2
56 1 81 LEU O 1 85 CYS N 2.850 2.750 2.950 2.806 2.757 2.856 . 0 0 "[ . 1 . 2]" 2
57 1 86 ASN O 1 90 TRP H 1.850 . 1.950 1.982 1.966 2.010 0.060 4 0 "[ . 1 . 2]" 2
58 1 86 ASN O 1 90 TRP N 2.850 2.750 2.950 2.926 2.878 2.953 0.003 4 0 "[ . 1 . 2]" 2
59 2 3 GLU O 2 7 ALA H 1.850 . 1.950 1.919 1.845 1.965 0.015 17 0 "[ . 1 . 2]" 2
60 2 3 GLU O 2 7 ALA N 2.850 2.750 2.950 2.792 2.738 2.892 0.012 20 0 "[ . 1 . 2]" 2
61 2 4 LEU O 2 8 MET H 1.850 . 1.950 1.964 1.793 2.002 0.052 15 0 "[ . 1 . 2]" 2
62 2 4 LEU O 2 8 MET N 2.850 2.750 2.950 2.912 2.748 2.954 0.004 5 0 "[ . 1 . 2]" 2
63 2 6 THR O 2 10 THR H 1.850 . 1.950 1.927 1.878 1.962 0.012 17 0 "[ . 1 . 2]" 2
64 2 6 THR O 2 10 THR N 2.850 2.750 2.950 2.756 2.737 2.853 0.013 18 0 "[ . 1 . 2]" 2
65 2 7 ALA O 2 11 LEU H 1.850 . 1.950 1.979 1.969 1.988 0.038 2 0 "[ . 1 . 2]" 2
66 2 7 ALA O 2 11 LEU N 2.850 2.750 2.950 2.928 2.888 2.953 0.003 2 0 "[ . 1 . 2]" 2
67 2 9 GLU O 2 13 ASN H 1.850 . 1.950 1.839 1.781 1.958 0.008 17 0 "[ . 1 . 2]" 2
68 2 9 GLU O 2 13 ASN N 2.850 2.750 2.950 2.761 2.712 2.857 0.038 13 0 "[ . 1 . 2]" 2
69 2 10 THR O 2 14 VAL H 1.850 . 1.950 1.958 1.899 1.981 0.031 13 0 "[ . 1 . 2]" 2
70 2 10 THR O 2 14 VAL N 2.850 2.750 2.950 2.872 2.823 2.908 . 0 0 "[ . 1 . 2]" 2
71 2 11 LEU O 2 15 PHE H 1.850 . 1.950 1.985 1.974 1.998 0.048 14 0 "[ . 1 . 2]" 2
72 2 11 LEU O 2 15 PHE N 2.850 2.750 2.950 2.934 2.877 2.979 0.029 17 0 "[ . 1 . 2]" 2
73 2 12 ILE O 2 16 HIS H 1.850 . 1.950 1.836 1.759 1.959 0.009 4 0 "[ . 1 . 2]" 2
74 2 12 ILE O 2 16 HIS N 2.850 2.750 2.950 2.772 2.720 2.925 0.030 2 0 "[ . 1 . 2]" 2
75 2 15 PHE O 2 19 SER H 1.850 . 1.950 1.952 1.878 1.984 0.034 14 0 "[ . 1 . 2]" 2
76 2 15 PHE O 2 19 SER N 2.850 2.750 2.950 2.843 2.741 2.890 0.009 6 0 "[ . 1 . 2]" 2
77 2 29 SER O 2 33 LEU H 1.850 . 1.950 1.784 1.746 1.952 0.004 9 0 "[ . 1 . 2]" 2
78 2 29 SER O 2 33 LEU N 2.850 2.750 2.950 2.741 2.709 2.890 0.041 15 0 "[ . 1 . 2]" 2
79 2 30 LYS O 2 34 LYS H 1.850 . 1.950 1.923 1.821 1.970 0.020 8 0 "[ . 1 . 2]" 2
80 2 30 LYS O 2 34 LYS N 2.850 2.750 2.950 2.826 2.744 2.887 0.006 6 0 "[ . 1 . 2]" 2
81 2 31 LYS O 2 35 GLU H 1.850 . 1.950 1.966 1.952 1.980 0.030 4 0 "[ . 1 . 2]" 2
82 2 31 LYS O 2 35 GLU N 2.850 2.750 2.950 2.909 2.879 2.939 . 0 0 "[ . 1 . 2]" 2
83 2 32 GLU O 2 36 LEU H 1.850 . 1.950 1.882 1.794 1.962 0.012 14 0 "[ . 1 . 2]" 2
84 2 32 GLU O 2 36 LEU N 2.850 2.750 2.950 2.799 2.737 2.898 0.013 13 0 "[ . 1 . 2]" 2
85 2 33 LEU O 2 37 LEU H 1.850 . 1.950 1.960 1.844 1.975 0.025 14 0 "[ . 1 . 2]" 2
86 2 33 LEU O 2 37 LEU N 2.850 2.750 2.950 2.940 2.820 2.959 0.009 14 0 "[ . 1 . 2]" 2
87 2 34 LYS O 2 38 GLN H 1.850 . 1.950 1.929 1.840 1.964 0.014 6 0 "[ . 1 . 2]" 2
88 2 34 LYS O 2 38 GLN N 2.850 2.750 2.950 2.817 2.720 2.854 0.030 11 0 "[ . 1 . 2]" 2
89 2 35 GLU O 2 39 THR H 1.850 . 1.950 1.878 1.831 1.963 0.013 6 0 "[ . 1 . 2]" 2
90 2 35 GLU O 2 39 THR N 2.850 2.750 2.950 2.780 2.737 2.896 0.013 7 0 "[ . 1 . 2]" 2
91 2 36 LEU O 2 40 GLU H 1.850 . 1.950 1.927 1.837 1.975 0.025 11 0 "[ . 1 . 2]" 2
92 2 36 LEU O 2 40 GLU N 2.850 2.750 2.950 2.810 2.741 2.872 0.009 15 0 "[ . 1 . 2]" 2
93 2 37 LEU O 2 41 LEU H 1.850 . 1.950 1.974 1.953 2.030 0.080 11 0 "[ . 1 . 2]" 2
94 2 37 LEU O 2 41 LEU N 2.850 2.750 2.950 2.782 2.690 2.857 0.060 11 0 "[ . 1 . 2]" 2
95 2 41 LEU O 2 45 LEU H 1.850 . 1.950 1.954 1.794 1.993 0.043 20 0 "[ . 1 . 2]" 2
96 2 41 LEU O 2 45 LEU N 2.850 2.750 2.950 2.782 2.730 2.826 0.020 11 0 "[ . 1 . 2]" 2
97 2 53 ALA O 2 57 VAL H 1.850 . 1.950 1.933 1.829 1.977 0.027 13 0 "[ . 1 . 2]" 2
98 2 53 ALA O 2 57 VAL N 2.850 2.750 2.950 2.844 2.745 2.913 0.005 9 0 "[ . 1 . 2]" 2
99 2 54 VAL O 2 58 MET H 1.850 . 1.950 1.966 1.953 1.981 0.031 15 0 "[ . 1 . 2]" 2
100 2 54 VAL O 2 58 MET N 2.850 2.750 2.950 2.921 2.880 2.955 0.005 15 0 "[ . 1 . 2]" 2
101 2 55 ASP O 2 59 LYS H 1.850 . 1.950 1.979 1.967 2.003 0.053 6 0 "[ . 1 . 2]" 2
102 2 55 ASP O 2 59 LYS N 2.850 2.750 2.950 2.912 2.821 2.955 0.005 19 0 "[ . 1 . 2]" 2
103 2 58 MET O 2 62 ASP H 1.850 . 1.950 1.960 1.896 1.983 0.033 2 0 "[ . 1 . 2]" 2
104 2 58 MET O 2 62 ASP N 2.850 2.750 2.950 2.854 2.695 2.955 0.055 15 0 "[ . 1 . 2]" 2
105 2 70 ASP O 2 74 TYR H 1.850 . 1.950 1.950 1.849 1.990 0.040 13 0 "[ . 1 . 2]" 2
106 2 70 ASP O 2 74 TYR N 2.850 2.750 2.950 2.890 2.792 2.937 . 0 0 "[ . 1 . 2]" 2
107 2 71 PHE O 2 75 VAL H 1.850 . 1.950 1.886 1.786 1.964 0.014 5 0 "[ . 1 . 2]" 2
108 2 71 PHE O 2 75 VAL N 2.850 2.750 2.950 2.833 2.744 2.920 0.006 11 0 "[ . 1 . 2]" 2
109 2 74 TYR O 2 78 VAL H 1.850 . 1.950 1.987 1.967 2.001 0.051 20 0 "[ . 1 . 2]" 2
110 2 74 TYR O 2 78 VAL N 2.850 2.750 2.950 2.939 2.906 2.959 0.009 19 0 "[ . 1 . 2]" 2
111 2 78 VAL O 2 82 THR H 1.850 . 1.950 1.977 1.954 1.995 0.045 19 0 "[ . 1 . 2]" 2
112 2 78 VAL O 2 82 THR N 2.850 2.750 2.950 2.920 2.847 2.950 0.000 19 0 "[ . 1 . 2]" 2
113 2 81 LEU O 2 85 CYS H 1.850 . 1.950 1.965 1.957 1.975 0.025 2 0 "[ . 1 . 2]" 2
114 2 81 LEU O 2 85 CYS N 2.850 2.750 2.950 2.806 2.756 2.856 . 0 0 "[ . 1 . 2]" 2
115 2 86 ASN O 2 90 TRP H 1.850 . 1.950 1.982 1.966 2.009 0.059 4 0 "[ . 1 . 2]" 2
116 2 86 ASN O 2 90 TRP N 2.850 2.750 2.950 2.926 2.877 2.953 0.003 4 0 "[ . 1 . 2]" 2
stop_
save_
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