NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
605539 |
2n7l   |
25810 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n7l
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 2
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 13.558
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0237
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0169
_Distance_constraint_stats_list.Viol_average_violations_only 0.0377
_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 80 ASP 0.678 0.081 11 0 "[ . 1 . 2]"
1 85 GLY 0.678 0.081 11 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 80 ASP OD2 1 85 GLY H 2.000 . 2.300 1.831 1.619 2.365 0.081 11 0 "[ . 1 . 2]" 1
2 1 80 ASP OD2 1 85 GLY N 2.900 2.500 3.300 2.611 2.440 2.986 0.060 18 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 473
_Distance_constraint_stats_list.Viol_count 299
_Distance_constraint_stats_list.Viol_total 733.671
_Distance_constraint_stats_list.Viol_max 0.383
_Distance_constraint_stats_list.Viol_rms 0.0269
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.1227
_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 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.391 0.159 17 0 "[ . 1 . 2]"
1 11 VAL 0.759 0.297 8 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 MET 0.498 0.169 11 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASP 1.988 0.283 18 0 "[ . 1 . 2]"
1 19 ILE 0.805 0.169 11 0 "[ . 1 . 2]"
1 20 TYR 2.082 0.283 18 0 "[ . 1 . 2]"
1 21 LYS 0.042 0.042 11 0 "[ . 1 . 2]"
1 22 ALA 0.074 0.074 8 0 "[ . 1 . 2]"
1 23 ALA 0.284 0.144 8 0 "[ . 1 . 2]"
1 24 VAL 0.255 0.144 8 0 "[ . 1 . 2]"
1 25 GLU 5.023 0.383 2 0 "[ . 1 . 2]"
1 26 GLN 5.567 0.383 2 0 "[ . 1 . 2]"
1 27 LEU 4.348 0.331 20 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.280 0.280 17 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.108 0.053 2 0 "[ . 1 . 2]"
1 32 LYS 0.108 0.053 2 0 "[ . 1 . 2]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 PHE 0.179 0.160 16 0 "[ . 1 . 2]"
1 36 LYS 0.204 0.119 12 0 "[ . 1 . 2]"
1 37 ALA 0.233 0.154 7 0 "[ . 1 . 2]"
1 38 ALA 0.019 0.019 2 0 "[ . 1 . 2]"
1 39 PHE 0.073 0.069 3 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.164 0.164 11 0 "[ . 1 . 2]"
1 42 PHE 1.792 0.244 6 0 "[ . 1 . 2]"
1 43 VAL 0.226 0.141 15 0 "[ . 1 . 2]"
1 44 LEU 0.686 0.264 19 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.141 0.141 15 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.340 0.084 15 0 "[ . 1 . 2]"
1 51 ILE 0.256 0.134 17 0 "[ . 1 . 2]"
1 52 SER 0.217 0.069 2 0 "[ . 1 . 2]"
1 53 THR 0.652 0.146 8 0 "[ . 1 . 2]"
1 54 LYS 0.084 0.084 17 0 "[ . 1 . 2]"
1 55 GLU 0.084 0.084 17 0 "[ . 1 . 2]"
1 56 LEU 1.542 0.244 6 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 VAL 0.380 0.125 11 0 "[ . 1 . 2]"
1 60 MET 0.661 0.298 13 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 MET 0.429 0.125 11 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 2.139 0.240 19 0 "[ . 1 . 2]"
1 69 PRO 1.744 0.225 14 0 "[ . 1 . 2]"
1 70 GLU 1.202 0.271 4 0 "[ . 1 . 2]"
1 71 GLU 1.189 0.240 16 0 "[ . 1 . 2]"
1 72 LEU 0.723 0.348 18 0 "[ . 1 . 2]"
1 73 GLN 1.531 0.348 18 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.926 0.192 13 0 "[ . 1 . 2]"
1 82 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 2.463 0.227 8 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ASP 1.870 0.227 8 0 "[ . 1 . 2]"
1 89 PHE 0.204 0.119 12 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLU 0.951 0.192 13 0 "[ . 1 . 2]"
1 92 PHE 0.012 0.012 5 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 VAL 1.498 0.204 3 0 "[ . 1 . 2]"
1 95 MET 1.510 0.204 3 0 "[ . 1 . 2]"
1 96 MET 0.705 0.183 10 0 "[ . 1 . 2]"
1 97 VAL 1.102 0.271 9 0 "[ . 1 . 2]"
1 100 MET 0.980 0.271 9 0 "[ . 1 . 2]"
1 101 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 VAL 0.211 0.156 12 0 "[ . 1 . 2]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ALA 0.443 0.156 12 0 "[ . 1 . 2]"
1 119 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 MET 0.473 0.183 10 0 "[ . 1 . 2]"
1 122 MET 0.153 0.153 16 0 "[ . 1 . 2]"
1 123 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 LEU 0.050 0.050 18 0 "[ . 1 . 2]"
1 126 LEU 0.233 0.154 7 0 "[ . 1 . 2]"
1 127 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ALA 0.871 0.208 18 0 "[ . 1 . 2]"
1 129 ARG 1.148 0.277 12 0 "[ . 1 . 2]"
1 130 ALA 0.721 0.208 18 0 "[ . 1 . 2]"
1 131 LYS 1.797 0.354 10 0 "[ . 1 . 2]"
1 132 GLU 0.596 0.230 3 0 "[ . 1 . 2]"
1 133 SER 1.096 0.354 10 0 "[ . 1 . 2]"
1 134 LEU 1.127 0.372 6 0 "[ . 1 . 2]"
1 135 ASP 0.475 0.214 16 0 "[ . 1 . 2]"
1 136 LEU 1.516 0.214 16 0 "[ . 1 . 2]"
1 137 ARG 1.911 0.360 13 0 "[ . 1 . 2]"
1 140 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 39 PHE HZ 1 50 SER HA 4.500 . 4.500 3.705 2.503 4.569 0.069 3 0 "[ . 1 . 2]" 2
2 1 39 PHE QE 1 50 SER HA 6.000 . 6.000 4.283 3.253 5.139 . 0 0 "[ . 1 . 2]" 2
3 1 43 VAL QG 1 50 SER HA 6.000 . 6.000 3.119 2.219 4.652 . 0 0 "[ . 1 . 2]" 2
4 1 42 PHE QR 1 56 LEU HA 6.000 . 6.000 4.115 3.238 5.082 . 0 0 "[ . 1 . 2]" 2
5 1 77 ASP HA 1 80 ASP QB 6.000 . 6.000 2.576 2.204 3.376 . 0 0 "[ . 1 . 2]" 2
6 1 76 ILE MG 1 77 ASP HA 6.000 . 6.000 3.234 2.833 3.485 . 0 0 "[ . 1 . 2]" 2
7 1 60 MET HA 1 63 LEU QD 6.000 . 6.000 2.996 2.364 3.861 . 0 0 "[ . 1 . 2]" 2
8 1 44 LEU HA 1 44 LEU QD 3.000 . 3.000 2.351 1.922 3.264 0.264 19 0 "[ . 1 . 2]" 2
9 1 27 LEU QD 1 35 PHE QD 6.000 . 6.000 4.442 2.945 6.160 0.160 16 0 "[ . 1 . 2]" 2
10 1 27 LEU HA 1 27 LEU QD . . 3.000 2.336 2.066 3.331 0.331 20 0 "[ . 1 . 2]" 2
11 1 24 VAL HA 1 27 LEU QD 6.000 . 6.000 4.002 2.368 5.231 . 0 0 "[ . 1 . 2]" 2
12 1 52 SER HA 1 86 THR HA 6.000 . 6.000 4.219 3.385 5.291 . 0 0 "[ . 1 . 2]" 2
13 1 52 SER HA 1 76 ILE MD 6.000 . 6.000 3.769 2.695 5.012 . 0 0 "[ . 1 . 2]" 2
14 1 137 ARG HA 1 137 ARG QD . . 3.000 2.432 2.176 3.156 0.156 13 0 "[ . 1 . 2]" 2
15 1 137 ARG HA 1 137 ARG QG 3.000 . 3.000 2.544 2.210 3.360 0.360 13 0 "[ . 1 . 2]" 2
16 1 40 ASP HA 1 43 VAL QG . . 3.000 2.363 2.125 2.991 . 0 0 "[ . 1 . 2]" 2
17 1 36 LYS HA 1 36 LYS QD 4.500 . 4.500 3.211 2.139 4.123 . 0 0 "[ . 1 . 2]" 2
18 1 63 LEU HA 1 63 LEU QD . . 3.000 2.203 1.936 2.498 . 0 0 "[ . 1 . 2]" 2
19 1 33 ASN HA 1 33 ASN QD 4.500 . 4.500 3.407 2.088 4.206 . 0 0 "[ . 1 . 2]" 2
20 1 18 ASP HA 1 20 TYR QD 6.000 . 6.000 6.051 5.444 6.283 0.283 18 0 "[ . 1 . 2]" 2
21 1 115 ARG HA 1 115 ARG QD . . 4.500 3.612 2.162 4.393 . 0 0 "[ . 1 . 2]" 2
22 1 33 ASN HA 1 36 LYS QB 4.500 . 4.500 2.752 2.267 3.121 . 0 0 "[ . 1 . 2]" 2
23 1 16 MET HA 1 19 ILE MD 6.000 . 6.000 3.286 2.278 5.790 . 0 0 "[ . 1 . 2]" 2
24 1 26 GLN HA 1 26 GLN QG 3.000 . 3.000 2.589 2.284 3.242 0.242 15 0 "[ . 1 . 2]" 2
25 1 134 LEU HA 1 134 LEU QD 3.000 . 3.000 2.271 1.924 3.372 0.372 6 0 "[ . 1 . 2]" 2
26 1 96 MET ME 1 118 ALA HA 6.000 . 6.000 4.933 2.615 6.155 0.155 3 0 "[ . 1 . 2]" 2
27 1 69 PRO HA 1 72 LEU QD 4.500 . 4.500 2.475 2.062 2.968 . 0 0 "[ . 1 . 2]" 2
28 1 57 GLY QA 1 72 LEU QD 6.000 . 6.000 2.511 1.970 3.346 . 0 0 "[ . 1 . 2]" 2
29 1 37 ALA HA 1 40 ASP QB 6.000 . 6.000 3.059 2.655 4.192 . 0 0 "[ . 1 . 2]" 2
30 1 10 LEU HA 1 10 LEU QD 3.000 . 3.000 2.181 1.929 2.426 . 0 0 "[ . 1 . 2]" 2
31 1 38 ALA HA 1 41 ILE MD 4.500 . 4.500 2.765 2.264 4.485 . 0 0 "[ . 1 . 2]" 2
32 1 41 ILE HA 1 44 LEU QD 6.000 . 6.000 3.127 2.273 5.015 . 0 0 "[ . 1 . 2]" 2
33 1 37 ALA MB 1 126 LEU QD 4.500 . 4.500 4.200 3.409 4.654 0.154 7 0 "[ . 1 . 2]" 2
34 1 35 PHE QD 1 93 LEU QD 6.000 . 6.000 3.586 2.194 5.691 . 0 0 "[ . 1 . 2]" 2
35 1 35 PHE QB 1 93 LEU QD 6.000 . 6.000 3.677 2.262 5.202 . 0 0 "[ . 1 . 2]" 2
36 1 128 ALA HA 1 129 ARG QB 6.000 . 6.000 4.655 4.005 5.528 . 0 0 "[ . 1 . 2]" 2
37 1 94 VAL QG 1 95 MET H 3.000 . 3.000 2.800 1.994 3.204 0.204 3 0 "[ . 1 . 2]" 2
38 1 21 LYS HA 1 94 VAL QG 4.500 . 4.500 3.967 3.197 4.446 . 0 0 "[ . 1 . 2]" 2
39 1 97 VAL HA 1 97 VAL QG . . 3.000 2.136 2.033 2.405 . 0 0 "[ . 1 . 2]" 2
40 1 94 VAL HA 1 94 VAL QG 3.000 . 3.000 2.137 2.032 2.479 . 0 0 "[ . 1 . 2]" 2
41 1 136 LEU HA 1 136 LEU QD 3.000 . 3.000 2.296 1.928 3.051 0.051 10 0 "[ . 1 . 2]" 2
42 1 53 THR MG 1 54 LYS HA 6.000 . 6.000 4.935 3.052 5.441 . 0 0 "[ . 1 . 2]" 2
43 1 53 THR HA 1 53 THR MG 3.000 . 3.000 2.296 2.049 3.009 0.009 3 0 "[ . 1 . 2]" 2
44 1 53 THR MG 1 69 PRO QB 6.000 . 6.000 4.292 2.498 5.825 . 0 0 "[ . 1 . 2]" 2
45 1 53 THR MG 1 73 GLN QB 3.000 . 3.000 2.948 2.524 3.146 0.146 8 0 "[ . 1 . 2]" 2
46 1 52 SER HA 1 86 THR MG 4.500 . 4.500 3.855 2.896 4.569 0.069 2 0 "[ . 1 . 2]" 2
47 1 86 THR HA 1 86 THR MG 3.000 . 3.000 2.295 2.254 2.355 . 0 0 "[ . 1 . 2]" 2
48 1 52 SER QB 1 86 THR MG 4.500 . 4.500 4.019 3.269 4.545 0.045 20 0 "[ . 1 . 2]" 2
49 1 21 LYS HA 1 24 VAL QG 6.000 . 6.000 2.843 2.123 3.426 . 0 0 "[ . 1 . 2]" 2
50 1 50 SER QB 1 86 THR MG 6.000 . 6.000 3.157 2.023 4.579 . 0 0 "[ . 1 . 2]" 2
51 1 79 VAL QG 1 87 VAL QG 4.500 . 4.500 3.097 2.409 3.715 . 0 0 "[ . 1 . 2]" 2
52 1 42 PHE QE 1 56 LEU QD 6.000 . 6.000 4.046 2.265 5.686 . 0 0 "[ . 1 . 2]" 2
53 1 56 LEU QD 1 59 VAL HB 6.000 . 6.000 3.487 2.355 4.867 . 0 0 "[ . 1 . 2]" 2
54 1 42 PHE QE 1 59 VAL QG 4.500 . 4.500 2.415 1.932 3.488 . 0 0 "[ . 1 . 2]" 2
55 1 42 PHE HA 1 59 VAL QG 6.000 . 6.000 4.895 3.414 5.976 . 0 0 "[ . 1 . 2]" 2
56 1 59 VAL QG 1 62 MET ME . . 4.500 2.848 2.175 3.477 . 0 0 "[ . 1 . 2]" 2
57 1 39 PHE HZ 1 88 ASP HA 6.000 . 6.000 4.612 2.727 5.880 . 0 0 "[ . 1 . 2]" 2
58 1 46 ALA HA 1 47 GLU HA 6.000 . 6.000 4.430 4.360 4.512 . 0 0 "[ . 1 . 2]" 2
59 1 68 THR HA 1 68 THR MG 3.000 . 3.000 2.251 2.135 2.367 . 0 0 "[ . 1 . 2]" 2
60 1 28 THR HA 1 28 THR MG 3.000 . 3.000 2.340 2.280 2.416 . 0 0 "[ . 1 . 2]" 2
61 1 68 THR MG 1 69 PRO QD 3.000 . 3.000 2.918 2.210 3.225 0.225 14 0 "[ . 1 . 2]" 2
62 1 87 VAL QG 1 92 PHE H 6.000 . 6.000 3.052 2.415 4.155 . 0 0 "[ . 1 . 2]" 2
63 1 39 PHE QE 1 87 VAL QG 6.000 . 6.000 4.362 3.562 5.838 . 0 0 "[ . 1 . 2]" 2
64 1 87 VAL QG 1 92 PHE HA 6.000 . 6.000 2.635 2.053 3.360 . 0 0 "[ . 1 . 2]" 2
65 1 51 ILE MD 1 87 VAL QG 6.000 . 6.000 2.967 2.095 4.534 . 0 0 "[ . 1 . 2]" 2
66 1 20 TYR QD 1 97 VAL QG 6.000 . 6.000 5.189 2.182 6.047 0.047 17 0 "[ . 1 . 2]" 2
67 1 20 TYR HA 1 97 VAL QG 6.000 . 6.000 4.542 2.460 5.277 . 0 0 "[ . 1 . 2]" 2
68 1 23 ALA MB 1 97 VAL QG 3.000 . 3.000 2.366 1.916 3.029 0.029 9 0 "[ . 1 . 2]" 2
69 1 76 ILE HA 1 79 VAL QG 6.000 . 6.000 2.898 2.013 3.426 . 0 0 "[ . 1 . 2]" 2
70 1 39 PHE HZ 1 43 VAL QG 6.000 . 6.000 2.967 2.279 4.631 . 0 0 "[ . 1 . 2]" 2
71 1 43 VAL QG 1 46 ALA MB 6.000 . 6.000 2.781 2.015 3.489 . 0 0 "[ . 1 . 2]" 2
72 1 11 VAL HA 1 12 PRO QD 3.000 . 3.000 2.142 2.021 2.249 . 0 0 "[ . 1 . 2]" 2
73 1 11 VAL QG 1 12 PRO QD . . 4.500 3.009 2.065 3.352 . 0 0 "[ . 1 . 2]" 2
74 1 11 VAL HA 1 11 VAL QG 3.000 . 3.000 2.099 2.000 2.253 . 0 0 "[ . 1 . 2]" 2
75 1 114 VAL HA 1 114 VAL QG . . 3.000 2.198 2.034 2.343 . 0 0 "[ . 1 . 2]" 2
76 1 90 ASP HA 1 94 VAL QG 6.000 . 6.000 4.120 3.785 4.455 . 0 0 "[ . 1 . 2]" 2
77 1 42 PHE QR 1 59 VAL QG 6.000 . 6.000 2.199 1.878 3.081 . 0 0 "[ . 1 . 2]" 2
78 1 68 THR HB 1 69 PRO QD 4.500 . 4.500 2.484 2.215 3.799 . 0 0 "[ . 1 . 2]" 2
79 1 68 THR HA 1 69 PRO QD . . 3.000 2.078 1.990 2.152 . 0 0 "[ . 1 . 2]" 2
80 1 43 VAL HA 1 46 ALA MB 3.000 . 3.000 2.665 2.147 3.141 0.141 15 0 "[ . 1 . 2]" 2
81 1 35 PHE QD 1 38 ALA MB 4.500 . 4.500 3.748 3.089 4.519 0.019 2 0 "[ . 1 . 2]" 2
82 1 35 PHE HA 1 38 ALA MB 6.000 . 6.000 2.684 2.283 3.602 . 0 0 "[ . 1 . 2]" 2
83 1 60 MET HA 1 60 MET ME 4.500 . 4.500 3.719 2.631 4.391 . 0 0 "[ . 1 . 2]" 2
84 1 60 MET ME 1 60 MET QG 3.000 . 3.000 2.131 2.096 2.193 . 0 0 "[ . 1 . 2]" 2
85 1 56 LEU QD 1 60 MET ME 3.000 . 3.000 2.386 1.887 2.976 . 0 0 "[ . 1 . 2]" 2
86 1 19 ILE HA 1 22 ALA MB 3.000 . 3.000 2.622 2.076 3.074 0.074 8 0 "[ . 1 . 2]" 2
87 1 92 PHE QD 1 95 MET ME 6.000 . 6.000 3.771 2.214 6.012 0.012 5 0 "[ . 1 . 2]" 2
88 1 95 MET QB 1 95 MET ME 3.000 . 3.000 2.219 2.051 2.976 . 0 0 "[ . 1 . 2]" 2
89 1 42 PHE QD 1 51 ILE MG 4.500 . 4.500 3.493 2.291 4.634 0.134 17 0 "[ . 1 . 2]" 2
90 1 41 ILE MG 1 42 PHE QD 6.000 . 6.000 4.043 2.274 5.679 . 0 0 "[ . 1 . 2]" 2
91 1 39 PHE QE 1 43 VAL QG 6.000 . 6.000 2.525 2.229 2.846 . 0 0 "[ . 1 . 2]" 2
92 1 49 GLY QA 1 50 SER HA 6.000 . 6.000 4.047 4.031 4.079 . 0 0 "[ . 1 . 2]" 2
93 1 122 MET QB 1 122 MET ME 3.000 . 3.000 2.348 2.137 3.153 0.153 16 0 "[ . 1 . 2]" 2
94 1 41 ILE HA 1 41 ILE MG . . 3.000 2.381 2.251 3.164 0.164 11 0 "[ . 1 . 2]" 2
95 1 19 ILE QG 1 19 ILE MG . . 3.000 2.216 1.979 2.296 . 0 0 "[ . 1 . 2]" 2
96 1 19 ILE MG 1 20 TYR QD 6.000 . 6.000 3.997 2.567 5.124 . 0 0 "[ . 1 . 2]" 2
97 1 19 ILE HA 1 19 ILE MG 3.000 . 3.000 2.493 2.340 3.162 0.162 3 0 "[ . 1 . 2]" 2
98 1 127 GLY QA 1 128 ALA MB 6.000 . 6.000 3.847 3.468 4.248 . 0 0 "[ . 1 . 2]" 2
99 1 46 ALA MB 1 49 GLY QA 6.000 . 6.000 2.918 2.170 3.844 . 0 0 "[ . 1 . 2]" 2
100 1 43 VAL QG 1 49 GLY QA 6.000 . 6.000 2.955 2.073 4.717 . 0 0 "[ . 1 . 2]" 2
101 1 59 VAL HA 1 62 MET ME 3.000 . 3.000 2.639 2.072 3.125 0.125 11 0 "[ . 1 . 2]" 2
102 1 121 MET HA 1 121 MET ME 4.500 . 4.500 3.937 3.246 4.501 0.001 16 0 "[ . 1 . 2]" 2
103 1 76 ILE MG 1 86 THR HA 6.000 . 6.000 3.366 2.329 5.129 . 0 0 "[ . 1 . 2]" 2
104 1 76 ILE MG 1 80 ASP QB 6.000 . 6.000 3.428 2.701 4.647 . 0 0 "[ . 1 . 2]" 2
105 1 39 PHE QD 1 51 ILE MD 6.000 . 6.000 3.772 2.268 5.952 . 0 0 "[ . 1 . 2]" 2
106 1 51 ILE MD 1 51 ILE MG . . 3.000 1.981 1.819 2.590 . 0 0 "[ . 1 . 2]" 2
107 1 86 THR HA 1 86 THR HB 3.000 . 3.000 2.620 2.430 3.025 0.025 1 0 "[ . 1 . 2]" 2
108 1 50 SER QB 1 86 THR HB . . 4.500 3.577 2.206 4.584 0.084 15 0 "[ . 1 . 2]" 2
109 1 115 ARG QB 1 115 ARG QD 3.000 . 3.000 2.235 2.119 2.472 . 0 0 "[ . 1 . 2]" 2
110 1 134 LEU QD 1 137 ARG QD 4.500 . 4.500 4.261 3.401 4.687 0.187 17 0 "[ . 1 . 2]" 2
111 1 19 ILE HA 1 19 ILE MD 4.500 . 4.500 3.481 2.250 3.818 . 0 0 "[ . 1 . 2]" 2
112 1 16 MET ME 1 19 ILE MD . . 3.000 2.708 2.050 3.169 0.169 11 0 "[ . 1 . 2]" 2
113 1 41 ILE HA 1 41 ILE MD 4.500 . 4.500 3.678 2.078 4.133 . 0 0 "[ . 1 . 2]" 2
114 1 58 LYS QB 1 58 LYS QE 4.500 . 4.500 3.070 2.111 3.818 . 0 0 "[ . 1 . 2]" 2
115 1 28 THR HA 1 28 THR HB . . 3.000 2.444 2.414 2.471 . 0 0 "[ . 1 . 2]" 2
116 1 74 GLU HA 1 77 ASP QB . . 4.500 2.705 2.279 2.929 . 0 0 "[ . 1 . 2]" 2
117 1 134 LEU QD 1 135 ASP QB 6.000 . 6.000 4.674 2.958 5.510 . 0 0 "[ . 1 . 2]" 2
118 1 30 GLU HA 1 33 ASN QB . . 4.500 2.904 2.698 3.257 . 0 0 "[ . 1 . 2]" 2
119 1 71 GLU HA 1 71 GLU QG . . 3.000 2.613 2.250 3.240 0.240 16 0 "[ . 1 . 2]" 2
120 1 70 GLU HA 1 70 GLU QG . . 3.000 2.537 2.260 3.271 0.271 4 0 "[ . 1 . 2]" 2
121 1 24 VAL QG 1 25 GLU QG 6.000 . 6.000 4.307 3.284 5.231 . 0 0 "[ . 1 . 2]" 2
122 1 53 THR HA 1 76 ILE MD 6.000 . 6.000 3.313 2.251 4.665 . 0 0 "[ . 1 . 2]" 2
123 1 24 VAL HA 1 24 VAL QG 3.000 . 3.000 2.105 1.959 2.273 . 0 0 "[ . 1 . 2]" 2
124 1 25 GLU HA 1 25 GLU QG 3.000 . 3.000 2.523 2.266 2.892 . 0 0 "[ . 1 . 2]" 2
125 1 47 GLU HA 1 47 GLU QG 3.000 . 3.000 2.367 2.280 2.856 . 0 0 "[ . 1 . 2]" 2
126 1 132 GLU HA 1 132 GLU QG 3.000 . 3.000 2.415 2.135 2.877 . 0 0 "[ . 1 . 2]" 2
127 1 131 LYS QD 1 132 GLU QG 6.000 . 6.000 5.335 4.022 6.230 0.230 3 0 "[ . 1 . 2]" 2
128 1 78 GLU QG 1 79 VAL QG 6.000 . 6.000 4.194 3.058 5.441 . 0 0 "[ . 1 . 2]" 2
129 1 25 GLU HA 1 26 GLN QG 4.500 . 4.500 4.751 4.539 4.883 0.383 2 0 "[ . 1 . 2]" 2
130 1 23 ALA MB 1 26 GLN QG 6.000 . 6.000 4.853 3.645 5.755 . 0 0 "[ . 1 . 2]" 2
131 1 30 GLU HA 1 30 GLU QG . . 3.000 2.542 2.288 2.942 . 0 0 "[ . 1 . 2]" 2
132 1 96 MET ME 1 121 MET QG 6.000 . 6.000 5.646 3.692 6.183 0.183 10 0 "[ . 1 . 2]" 2
133 1 32 LYS QB 1 32 LYS QD 3.000 . 3.000 2.169 2.106 2.283 . 0 0 "[ . 1 . 2]" 2
134 1 58 LYS H 1 58 LYS QB . . 3.000 2.230 2.029 2.411 . 0 0 "[ . 1 . 2]" 2
135 1 55 GLU HA 1 58 LYS QB 6.000 . 6.000 3.064 2.385 3.932 . 0 0 "[ . 1 . 2]" 2
136 1 32 LYS HA 1 35 PHE QD 6.000 . 6.000 3.660 2.577 4.847 . 0 0 "[ . 1 . 2]" 2
137 1 32 LYS HA 1 35 PHE QB 6.000 . 6.000 2.555 2.253 2.987 . 0 0 "[ . 1 . 2]" 2
138 1 43 VAL HA 1 55 GLU QG 6.000 . 6.000 3.644 2.332 5.584 . 0 0 "[ . 1 . 2]" 2
139 1 27 LEU QD 1 32 LYS HA 6.000 . 6.000 4.245 3.437 4.889 . 0 0 "[ . 1 . 2]" 2
140 1 94 VAL HB 1 95 MET H 4.500 . 4.500 2.980 2.469 4.170 . 0 0 "[ . 1 . 2]" 2
141 1 20 TYR HA 1 20 TYR QD 4.500 . 4.500 2.632 2.289 2.989 . 0 0 "[ . 1 . 2]" 2
142 1 78 GLU QB 1 79 VAL QG 6.000 . 6.000 3.118 2.813 4.175 . 0 0 "[ . 1 . 2]" 2
143 1 61 ARG HA 1 61 ARG QG 3.000 . 3.000 2.285 2.182 2.359 . 0 0 "[ . 1 . 2]" 2
144 1 58 LYS HA 1 58 LYS QE 6.000 . 6.000 4.366 3.438 4.948 . 0 0 "[ . 1 . 2]" 2
145 1 29 GLU HA 1 29 GLU QG . . 3.000 2.482 2.259 3.280 0.280 17 0 "[ . 1 . 2]" 2
146 1 46 ALA HA 1 47 GLU QB 6.000 . 6.000 4.256 4.094 4.429 . 0 0 "[ . 1 . 2]" 2
147 1 58 LYS QB 1 58 LYS QD 3.000 . 3.000 2.202 2.112 2.327 . 0 0 "[ . 1 . 2]" 2
148 1 36 LYS HA 1 89 PHE QE 6.000 . 6.000 4.245 2.687 6.119 0.119 12 0 "[ . 1 . 2]" 2
149 1 24 VAL QG 1 25 GLU HA 6.000 . 6.000 3.253 2.896 3.443 . 0 0 "[ . 1 . 2]" 2
150 1 53 THR MG 1 73 GLN HA 4.500 . 4.500 2.949 2.224 3.744 . 0 0 "[ . 1 . 2]" 2
151 1 59 VAL HA 1 62 MET QB 6.000 . 6.000 3.009 2.469 4.497 . 0 0 "[ . 1 . 2]" 2
152 1 94 VAL HA 1 95 MET H 6.000 . 6.000 3.533 3.488 3.564 . 0 0 "[ . 1 . 2]" 2
153 1 62 MET ME 1 125 LEU QD 4.500 . 4.500 3.658 2.378 4.550 0.050 18 0 "[ . 1 . 2]" 2
154 1 16 MET HA 1 16 MET ME 4.500 . 4.500 3.655 2.265 4.568 0.068 14 0 "[ . 1 . 2]" 2
155 1 27 LEU QD 1 100 MET ME 3.000 . 3.000 2.930 2.035 3.271 0.271 9 0 "[ . 1 . 2]" 2
156 1 100 MET ME 1 100 MET QG 3.000 . 3.000 2.167 2.111 2.239 . 0 0 "[ . 1 . 2]" 2
157 1 135 ASP QB 1 136 LEU HA 6.000 . 6.000 4.589 3.760 5.550 . 0 0 "[ . 1 . 2]" 2
158 1 129 ARG HA 1 129 ARG QG 3.000 . 3.000 2.366 2.153 3.277 0.277 12 0 "[ . 1 . 2]" 2
159 1 34 GLU HA 1 37 ALA MB 4.500 . 4.500 3.091 2.434 4.094 . 0 0 "[ . 1 . 2]" 2
160 1 122 MET HA 1 122 MET ME 6.000 . 6.000 4.054 2.993 4.654 . 0 0 "[ . 1 . 2]" 2
161 1 122 MET ME 1 122 MET QG 3.000 . 3.000 2.199 2.091 2.240 . 0 0 "[ . 1 . 2]" 2
162 1 24 VAL QG 1 25 GLU QB 6.000 . 6.000 3.811 2.812 4.417 . 0 0 "[ . 1 . 2]" 2
163 1 28 THR H 1 28 THR MG . . 3.000 2.487 2.188 2.825 . 0 0 "[ . 1 . 2]" 2
164 1 114 VAL QG 1 118 ALA MB 6.000 . 6.000 5.319 3.993 6.156 0.156 12 0 "[ . 1 . 2]" 2
165 1 23 ALA MB 1 24 VAL QG 4.500 . 4.500 3.113 2.718 3.893 . 0 0 "[ . 1 . 2]" 2
166 1 118 ALA HA 1 121 MET QB 6.000 . 6.000 2.713 2.297 3.040 . 0 0 "[ . 1 . 2]" 2
167 1 25 GLU HA 1 26 GLN QB 6.000 . 6.000 5.511 5.450 5.674 . 0 0 "[ . 1 . 2]" 2
168 1 87 VAL HA 1 88 ASP H 3.000 . 3.000 2.095 2.072 2.118 . 0 0 "[ . 1 . 2]" 2
169 1 88 ASP H 1 91 GLU QB 6.000 . 6.000 2.023 1.784 2.337 0.016 20 0 "[ . 1 . 2]" 2
170 1 86 THR MG 1 88 ASP H 6.000 . 6.000 5.597 4.151 6.227 0.227 8 0 "[ . 1 . 2]" 2
171 1 80 ASP HA 1 81 GLU H 3.000 . 3.000 2.191 2.134 2.292 . 0 0 "[ . 1 . 2]" 2
172 1 86 THR HA 1 87 VAL H 3.000 . 3.000 2.340 2.188 2.497 . 0 0 "[ . 1 . 2]" 2
173 1 86 THR HB 1 87 VAL H 4.500 . 4.500 2.927 2.263 4.049 . 0 0 "[ . 1 . 2]" 2
174 1 51 ILE HB 1 87 VAL H 6.000 . 6.000 4.149 2.253 5.911 . 0 0 "[ . 1 . 2]" 2
175 1 140 LEU HA 1 141 LYS H 3.000 . 3.000 2.273 2.151 2.711 . 0 0 "[ . 1 . 2]" 2
176 1 52 SER H 1 55 GLU H 6.000 . 6.000 3.141 2.759 3.792 . 0 0 "[ . 1 . 2]" 2
177 1 51 ILE HA 1 52 SER H 3.000 . 3.000 2.151 2.133 2.227 . 0 0 "[ . 1 . 2]" 2
178 1 52 SER H 1 55 GLU QG 6.000 . 6.000 3.107 2.161 3.972 . 0 0 "[ . 1 . 2]" 2
179 1 51 ILE MG 1 52 SER H 6.000 . 6.000 3.089 2.465 4.180 . 0 0 "[ . 1 . 2]" 2
180 1 43 VAL H 1 44 LEU H 4.500 . 4.500 2.641 2.458 3.056 . 0 0 "[ . 1 . 2]" 2
181 1 44 LEU H 1 44 LEU HA 3.000 . 3.000 2.812 2.765 2.846 . 0 0 "[ . 1 . 2]" 2
182 1 41 ILE HA 1 44 LEU H 6.000 . 6.000 3.667 3.395 4.409 . 0 0 "[ . 1 . 2]" 2
183 1 44 LEU H 1 44 LEU QB 3.000 . 3.000 2.185 2.044 2.336 . 0 0 "[ . 1 . 2]" 2
184 1 118 ALA H 1 119 ASP H 6.000 . 6.000 2.678 2.625 2.738 . 0 0 "[ . 1 . 2]" 2
185 1 117 SER HA 1 118 ALA H 6.000 . 6.000 2.314 2.215 2.464 . 0 0 "[ . 1 . 2]" 2
186 1 46 ALA HA 1 47 GLU H 6.000 . 6.000 2.174 2.144 2.249 . 0 0 "[ . 1 . 2]" 2
187 1 114 VAL HA 1 115 ARG H 4.500 . 4.500 2.528 2.143 3.569 . 0 0 "[ . 1 . 2]" 2
188 1 127 GLY QA 1 128 ALA H 6.000 . 6.000 2.504 2.117 2.898 . 0 0 "[ . 1 . 2]" 2
189 1 45 GLY H 1 46 ALA H 6.000 . 6.000 2.508 2.335 2.832 . 0 0 "[ . 1 . 2]" 2
190 1 46 ALA H 1 47 GLU HA 6.000 . 6.000 5.173 4.670 5.660 . 0 0 "[ . 1 . 2]" 2
191 1 45 GLY QA 1 46 ALA H 6.000 . 6.000 2.902 2.743 2.935 . 0 0 "[ . 1 . 2]" 2
192 1 53 THR H 1 54 LYS H 6.000 . 6.000 2.642 2.585 2.706 . 0 0 "[ . 1 . 2]" 2
193 1 33 ASN H 1 34 GLU H 3.000 . 3.000 2.712 2.651 2.822 . 0 0 "[ . 1 . 2]" 2
194 1 119 ASP H 1 120 ALA H 4.500 . 4.500 2.702 2.615 2.803 . 0 0 "[ . 1 . 2]" 2
195 1 34 GLU H 1 35 PHE H 3.000 . 3.000 2.653 2.557 2.766 . 0 0 "[ . 1 . 2]" 2
196 1 133 SER H 1 134 LEU H . . 3.000 2.643 2.359 2.751 . 0 0 "[ . 1 . 2]" 2
197 1 54 LYS H 1 55 GLU H 3.000 . 3.000 2.720 2.631 2.888 . 0 0 "[ . 1 . 2]" 2
198 1 41 ILE H 1 42 PHE H . . 4.500 2.610 2.440 2.745 . 0 0 "[ . 1 . 2]" 2
199 1 33 ASN HA 1 34 GLU H 6.000 . 6.000 3.552 3.532 3.569 . 0 0 "[ . 1 . 2]" 2
200 1 34 GLU H 1 34 GLU HA 3.000 . 3.000 2.830 2.808 2.861 . 0 0 "[ . 1 . 2]" 2
201 1 31 GLN HA 1 34 GLU H 6.000 . 6.000 3.479 3.250 3.745 . 0 0 "[ . 1 . 2]" 2
202 1 54 LYS H 1 54 LYS HA 3.000 . 3.000 2.820 2.774 2.839 . 0 0 "[ . 1 . 2]" 2
203 1 128 ALA HA 1 130 ALA H 3.000 . 3.000 2.585 2.120 3.208 0.208 18 0 "[ . 1 . 2]" 2
204 1 34 GLU H 1 34 GLU QG . . 4.500 3.176 1.802 4.059 . 0 0 "[ . 1 . 2]" 2
205 1 33 ASN QB 1 34 GLU H 6.000 . 6.000 2.535 2.370 3.089 . 0 0 "[ . 1 . 2]" 2
206 1 119 ASP QB 1 120 ALA H 4.500 . 4.500 2.691 2.370 3.401 . 0 0 "[ . 1 . 2]" 2
207 1 34 GLU H 1 34 GLU QB 3.000 . 3.000 2.297 2.088 2.602 . 0 0 "[ . 1 . 2]" 2
208 1 54 LYS H 1 54 LYS QB 3.000 . 3.000 2.316 2.054 2.708 . 0 0 "[ . 1 . 2]" 2
209 1 120 ALA H 1 120 ALA MB 3.000 . 3.000 2.145 2.028 2.237 . 0 0 "[ . 1 . 2]" 2
210 1 29 GLU H 1 30 GLU H 4.500 . 4.500 2.678 2.580 2.750 . 0 0 "[ . 1 . 2]" 2
211 1 36 LYS H 1 37 ALA H . . 4.500 2.743 2.668 2.840 . 0 0 "[ . 1 . 2]" 2
212 1 35 PHE H 1 36 LYS H 6.000 . 6.000 2.659 2.495 2.837 . 0 0 "[ . 1 . 2]" 2
213 1 28 THR HA 1 29 GLU H 3.000 . 3.000 2.449 2.248 2.585 . 0 0 "[ . 1 . 2]" 2
214 1 35 PHE QB 1 36 LYS H 6.000 . 6.000 2.732 2.416 3.021 . 0 0 "[ . 1 . 2]" 2
215 1 92 PHE H 1 93 LEU H 6.000 . 6.000 2.741 2.644 2.797 . 0 0 "[ . 1 . 2]" 2
216 1 91 GLU H 1 92 PHE H 6.000 . 6.000 2.627 2.513 2.696 . 0 0 "[ . 1 . 2]" 2
217 1 91 GLU QB 1 92 PHE H 6.000 . 6.000 2.631 2.485 2.861 . 0 0 "[ . 1 . 2]" 2
218 1 135 ASP HA 1 136 LEU H 3.000 . 3.000 2.507 2.147 3.214 0.214 16 0 "[ . 1 . 2]" 2
219 1 11 VAL H 1 11 VAL HA 3.000 . 3.000 2.887 2.321 2.959 . 0 0 "[ . 1 . 2]" 2
220 1 37 ALA H 1 37 ALA HA 3.000 . 3.000 2.824 2.806 2.849 . 0 0 "[ . 1 . 2]" 2
221 1 11 VAL H 1 11 VAL HB 3.000 . 3.000 2.826 2.364 3.297 0.297 8 0 "[ . 1 . 2]" 2
222 1 136 LEU H 1 136 LEU QB 3.000 . 3.000 2.670 2.055 3.128 0.128 19 0 "[ . 1 . 2]" 2
223 1 36 LYS QB 1 37 ALA H 6.000 . 6.000 2.548 2.378 2.896 . 0 0 "[ . 1 . 2]" 2
224 1 37 ALA H 1 37 ALA MB 3.000 . 3.000 2.151 2.011 2.242 . 0 0 "[ . 1 . 2]" 2
225 1 11 VAL H 1 11 VAL QG 3.000 . 3.000 2.497 1.990 2.907 . 0 0 "[ . 1 . 2]" 2
226 1 61 ARG H 1 62 MET H 3.000 . 3.000 2.712 2.608 2.968 . 0 0 "[ . 1 . 2]" 2
227 1 62 MET H 1 63 LEU H 3.000 . 3.000 2.626 2.493 2.756 . 0 0 "[ . 1 . 2]" 2
228 1 62 MET H 1 62 MET HA 3.000 . 3.000 2.828 2.793 2.860 . 0 0 "[ . 1 . 2]" 2
229 1 59 VAL HA 1 62 MET H 6.000 . 6.000 3.543 3.312 3.892 . 0 0 "[ . 1 . 2]" 2
230 1 62 MET H 1 62 MET QG 4.500 . 4.500 3.159 2.042 4.014 . 0 0 "[ . 1 . 2]" 2
231 1 62 MET H 1 62 MET QB 3.000 . 3.000 2.289 2.147 2.494 . 0 0 "[ . 1 . 2]" 2
232 1 39 PHE H 1 40 ASP H 6.000 . 6.000 2.711 2.568 2.805 . 0 0 "[ . 1 . 2]" 2
233 1 38 ALA H 1 39 PHE H 6.000 . 6.000 2.640 2.566 2.719 . 0 0 "[ . 1 . 2]" 2
234 1 29 GLU H 1 29 GLU QB 3.000 . 3.000 2.326 2.160 2.392 . 0 0 "[ . 1 . 2]" 2
235 1 38 ALA MB 1 39 PHE H 6.000 . 6.000 2.632 2.419 2.944 . 0 0 "[ . 1 . 2]" 2
236 1 28 THR MG 1 29 GLU H 6.000 . 6.000 3.743 3.641 3.853 . 0 0 "[ . 1 . 2]" 2
237 1 18 ASP HA 1 20 TYR H 6.000 . 6.000 4.416 3.531 4.644 . 0 0 "[ . 1 . 2]" 2
238 1 9 GLY QA 1 10 LEU H 4.500 . 4.500 2.463 2.143 2.918 . 0 0 "[ . 1 . 2]" 2
239 1 19 ILE HB 1 20 TYR H 6.000 . 6.000 2.736 2.477 3.907 . 0 0 "[ . 1 . 2]" 2
240 1 10 LEU H 1 10 LEU QB 3.000 . 3.000 2.525 2.049 3.159 0.159 17 0 "[ . 1 . 2]" 2
241 1 68 THR H 1 71 GLU H 6.000 . 6.000 4.329 3.740 5.379 . 0 0 "[ . 1 . 2]" 2
242 1 70 GLU H 1 71 GLU H . . 3.000 2.668 2.524 2.812 . 0 0 "[ . 1 . 2]" 2
243 1 123 GLN H 1 124 ALA H 4.500 . 4.500 2.693 2.604 2.798 . 0 0 "[ . 1 . 2]" 2
244 1 71 GLU H 1 72 LEU H 4.500 . 4.500 2.612 2.463 2.892 . 0 0 "[ . 1 . 2]" 2
245 1 79 VAL H 1 80 ASP H 4.500 . 4.500 2.564 2.396 2.679 . 0 0 "[ . 1 . 2]" 2
246 1 124 ALA H 1 124 ALA HA 3.000 . 3.000 2.823 2.811 2.835 . 0 0 "[ . 1 . 2]" 2
247 1 71 GLU H 1 71 GLU HA 3.000 . 3.000 2.840 2.800 2.872 . 0 0 "[ . 1 . 2]" 2
248 1 71 GLU H 1 71 GLU QG 3.000 . 3.000 2.399 1.743 3.080 0.080 14 0 "[ . 1 . 2]" 2
249 1 123 GLN QB 1 124 ALA H 3.000 . 3.000 2.522 2.298 2.647 . 0 0 "[ . 1 . 2]" 2
250 1 71 GLU H 1 71 GLU QB 3.000 . 3.000 2.331 2.116 2.779 . 0 0 "[ . 1 . 2]" 2
251 1 124 ALA H 1 124 ALA MB 3.000 . 3.000 2.150 2.024 2.234 . 0 0 "[ . 1 . 2]" 2
252 1 93 LEU H 1 94 VAL H 6.000 . 6.000 2.761 2.630 2.966 . 0 0 "[ . 1 . 2]" 2
253 1 92 PHE QD 1 93 LEU H 6.000 . 6.000 3.297 2.921 3.758 . 0 0 "[ . 1 . 2]" 2
254 1 90 ASP H 1 91 GLU H 4.500 . 4.500 2.703 2.610 2.818 . 0 0 "[ . 1 . 2]" 2
255 1 131 LYS H 1 131 LYS HA 3.000 . 3.000 2.823 2.297 2.959 . 0 0 "[ . 1 . 2]" 2
256 1 91 GLU H 1 91 GLU QG 4.500 . 4.500 2.643 2.246 3.956 . 0 0 "[ . 1 . 2]" 2
257 1 90 ASP QB 1 91 GLU H 6.000 . 6.000 2.712 2.328 3.352 . 0 0 "[ . 1 . 2]" 2
258 1 81 GLU QB 1 91 GLU H 6.000 . 6.000 5.815 4.685 6.192 0.192 13 0 "[ . 1 . 2]" 2
259 1 130 ALA MB 1 131 LYS H 6.000 . 6.000 2.706 1.752 3.715 0.048 12 0 "[ . 1 . 2]" 2
260 1 102 ASP H 1 103 ASP H 6.000 . 6.000 2.665 2.551 2.782 . 0 0 "[ . 1 . 2]" 2
261 1 101 LYS H 1 102 ASP H 4.500 . 4.500 2.697 2.510 2.965 . 0 0 "[ . 1 . 2]" 2
262 1 134 LEU HA 1 135 ASP H 4.500 . 4.500 3.490 3.142 3.570 . 0 0 "[ . 1 . 2]" 2
263 1 20 TYR HA 1 21 LYS H 6.000 . 6.000 3.552 3.529 3.569 . 0 0 "[ . 1 . 2]" 2
264 1 18 ASP H 1 18 ASP QB 3.000 . 3.000 2.318 2.244 2.631 . 0 0 "[ . 1 . 2]" 2
265 1 21 LYS H 1 21 LYS QB 3.000 . 3.000 2.284 2.145 2.454 . 0 0 "[ . 1 . 2]" 2
266 1 21 LYS H 1 22 ALA MB 6.000 . 6.000 4.263 3.766 4.388 . 0 0 "[ . 1 . 2]" 2
267 1 22 ALA H 1 23 ALA H 3.000 . 3.000 2.671 2.576 2.725 . 0 0 "[ . 1 . 2]" 2
268 1 18 ASP HA 1 19 ILE H 4.500 . 4.500 3.543 3.498 3.560 . 0 0 "[ . 1 . 2]" 2
269 1 22 ALA H 1 22 ALA HA 3.000 . 3.000 2.823 2.810 2.848 . 0 0 "[ . 1 . 2]" 2
270 1 19 ILE HA 1 22 ALA H 6.000 . 6.000 3.511 3.206 3.704 . 0 0 "[ . 1 . 2]" 2
271 1 17 ASP QB 1 19 ILE H 6.000 . 6.000 2.646 2.392 3.277 . 0 0 "[ . 1 . 2]" 2
272 1 19 ILE H 1 19 ILE HB 3.000 . 3.000 2.375 2.061 2.671 . 0 0 "[ . 1 . 2]" 2
273 1 21 LYS QB 1 22 ALA H 3.000 . 3.000 2.571 2.482 2.907 . 0 0 "[ . 1 . 2]" 2
274 1 22 ALA H 1 22 ALA MB 3.000 . 3.000 2.120 2.030 2.234 . 0 0 "[ . 1 . 2]" 2
275 1 55 GLU H 1 56 LEU H 4.500 . 4.500 2.649 2.549 2.738 . 0 0 "[ . 1 . 2]" 2
276 1 23 ALA H 1 24 VAL H 3.000 . 3.000 2.734 2.648 2.868 . 0 0 "[ . 1 . 2]" 2
277 1 20 TYR HA 1 23 ALA H 6.000 . 6.000 3.562 3.293 4.431 . 0 0 "[ . 1 . 2]" 2
278 1 23 ALA H 1 23 ALA HA 3.000 . 3.000 2.812 2.798 2.828 . 0 0 "[ . 1 . 2]" 2
279 1 55 GLU H 1 55 GLU QG 4.500 . 4.500 3.039 2.210 4.055 . 0 0 "[ . 1 . 2]" 2
280 1 54 LYS QB 1 55 GLU H . . 3.000 2.533 2.296 3.084 0.084 17 0 "[ . 1 . 2]" 2
281 1 23 ALA H 1 23 ALA MB 3.000 . 3.000 2.134 2.010 2.234 . 0 0 "[ . 1 . 2]" 2
282 1 57 GLY H 1 58 LYS H 3.000 . 3.000 2.689 2.596 2.753 . 0 0 "[ . 1 . 2]" 2
283 1 58 LYS H 1 59 VAL H 3.000 . 3.000 2.723 2.608 2.843 . 0 0 "[ . 1 . 2]" 2
284 1 26 GLN HA 1 27 LEU H 6.000 . 6.000 3.473 3.069 3.554 . 0 0 "[ . 1 . 2]" 2
285 1 55 GLU HA 1 58 LYS H 6.000 . 6.000 3.552 3.345 3.715 . 0 0 "[ . 1 . 2]" 2
286 1 58 LYS H 1 58 LYS HA 3.000 . 3.000 2.816 2.789 2.850 . 0 0 "[ . 1 . 2]" 2
287 1 24 VAL HA 1 27 LEU H 6.000 . 6.000 3.469 3.175 3.832 . 0 0 "[ . 1 . 2]" 2
288 1 57 GLY QA 1 58 LYS H 6.000 . 6.000 2.740 2.682 2.811 . 0 0 "[ . 1 . 2]" 2
289 1 27 LEU H 1 27 LEU HG 3.000 . 3.000 2.427 2.028 2.931 . 0 0 "[ . 1 . 2]" 2
290 1 58 LYS H 1 58 LYS QD 6.000 . 6.000 4.180 2.296 4.688 . 0 0 "[ . 1 . 2]" 2
291 1 27 LEU H 1 27 LEU QB 3.000 . 3.000 2.480 2.203 2.733 . 0 0 "[ . 1 . 2]" 2
292 1 27 LEU H 1 27 LEU QD 3.000 . 3.000 3.091 2.505 3.257 0.257 13 0 "[ . 1 . 2]" 2
293 1 50 SER QB 1 51 ILE H 6.000 . 6.000 2.600 2.111 3.541 . 0 0 "[ . 1 . 2]" 2
294 1 77 ASP H 1 78 GLU H 6.000 . 6.000 2.721 2.622 2.782 . 0 0 "[ . 1 . 2]" 2
295 1 76 ILE H 1 77 ASP H 4.500 . 4.500 2.662 2.544 2.752 . 0 0 "[ . 1 . 2]" 2
296 1 76 ILE HB 1 77 ASP H 4.500 . 4.500 2.864 2.517 4.006 . 0 0 "[ . 1 . 2]" 2
297 1 76 ILE MG 1 77 ASP H 6.000 . 6.000 2.986 1.965 3.411 . 0 0 "[ . 1 . 2]" 2
298 1 31 GLN H 1 32 LYS H . . 3.000 2.628 2.567 2.679 . 0 0 "[ . 1 . 2]" 2
299 1 31 GLN QG 1 32 LYS H 4.500 . 4.500 4.009 3.605 4.553 0.053 2 0 "[ . 1 . 2]" 2
300 1 31 GLN QB 1 32 LYS H 3.000 . 3.000 2.595 2.518 2.726 . 0 0 "[ . 1 . 2]" 2
301 1 56 LEU H 1 57 GLY H 4.500 . 4.500 2.617 2.513 2.705 . 0 0 "[ . 1 . 2]" 2
302 1 42 PHE QD 1 56 LEU H 6.000 . 6.000 5.961 5.412 6.244 0.244 6 0 "[ . 1 . 2]" 2
303 1 17 ASP H 1 17 ASP HA 3.000 . 3.000 2.807 2.777 2.821 . 0 0 "[ . 1 . 2]" 2
304 1 53 THR HA 1 56 LEU H 6.000 . 6.000 3.467 3.261 3.679 . 0 0 "[ . 1 . 2]" 2
305 1 17 ASP H 1 17 ASP QB 3.000 . 3.000 2.332 2.183 2.527 . 0 0 "[ . 1 . 2]" 2
306 1 38 ALA H 1 38 ALA MB 3.000 . 3.000 2.151 2.036 2.247 . 0 0 "[ . 1 . 2]" 2
307 1 56 LEU H 1 56 LEU QB 3.000 . 3.000 2.180 2.052 2.349 . 0 0 "[ . 1 . 2]" 2
308 1 37 ALA MB 1 38 ALA H 6.000 . 6.000 2.523 2.395 2.654 . 0 0 "[ . 1 . 2]" 2
309 1 56 LEU H 1 56 LEU HG 4.500 . 4.500 3.866 2.249 4.474 . 0 0 "[ . 1 . 2]" 2
310 1 18 ASP H 1 18 ASP HA 3.000 . 3.000 2.808 2.788 2.834 . 0 0 "[ . 1 . 2]" 2
311 1 137 ARG H 1 137 ARG HA 3.000 . 3.000 2.764 2.294 2.960 . 0 0 "[ . 1 . 2]" 2
312 1 74 GLU H 1 74 GLU HA 3.000 . 3.000 2.830 2.808 2.859 . 0 0 "[ . 1 . 2]" 2
313 1 21 LYS H 1 21 LYS QE 6.000 . 6.000 4.897 3.238 6.042 0.042 11 0 "[ . 1 . 2]" 2
314 1 73 GLN QG 1 74 GLU H 6.000 . 6.000 3.606 1.938 4.257 . 0 0 "[ . 1 . 2]" 2
315 1 74 GLU H 1 74 GLU QB 3.000 . 3.000 2.286 2.101 2.371 . 0 0 "[ . 1 . 2]" 2
316 1 136 LEU QB 1 137 ARG H 4.500 . 4.500 2.435 1.794 3.557 0.006 13 0 "[ . 1 . 2]" 2
317 1 137 ARG H 1 137 ARG QB 3.000 . 3.000 2.524 2.068 3.302 0.302 20 0 "[ . 1 . 2]" 2
318 1 74 GLU H 1 75 MET H 3.000 . 3.000 2.657 2.533 2.713 . 0 0 "[ . 1 . 2]" 2
319 1 30 GLU HA 1 31 GLN H 6.000 . 6.000 3.551 3.534 3.567 . 0 0 "[ . 1 . 2]" 2
320 1 31 GLN H 1 31 GLN QB 3.000 . 3.000 2.159 2.025 2.255 . 0 0 "[ . 1 . 2]" 2
321 1 30 GLU QB 1 31 GLN H 3.000 . 3.000 2.514 2.408 2.604 . 0 0 "[ . 1 . 2]" 2
322 1 59 VAL H 1 60 MET H 4.500 . 4.500 2.666 2.581 2.748 . 0 0 "[ . 1 . 2]" 2
323 1 58 LYS HA 1 59 VAL H 6.000 . 6.000 3.553 3.526 3.581 . 0 0 "[ . 1 . 2]" 2
324 1 58 LYS QB 1 59 VAL H 3.000 . 3.000 2.517 2.330 2.689 . 0 0 "[ . 1 . 2]" 2
325 1 59 VAL H 1 59 VAL HB 3.000 . 3.000 2.444 2.396 2.717 . 0 0 "[ . 1 . 2]" 2
326 1 59 VAL H 1 59 VAL QG . . 3.000 2.232 1.801 2.391 . 0 0 "[ . 1 . 2]" 2
327 1 40 ASP H 1 41 ILE H 6.000 . 6.000 2.751 2.688 2.919 . 0 0 "[ . 1 . 2]" 2
328 1 40 ASP HA 1 41 ILE H 6.000 . 6.000 3.550 3.491 3.588 . 0 0 "[ . 1 . 2]" 2
329 1 38 ALA HA 1 41 ILE H 6.000 . 6.000 3.521 3.268 3.784 . 0 0 "[ . 1 . 2]" 2
330 1 40 ASP QB 1 41 ILE H 6.000 . 6.000 2.516 2.199 2.811 . 0 0 "[ . 1 . 2]" 2
331 1 89 PHE H 1 90 ASP H 6.000 . 6.000 2.801 2.759 2.851 . 0 0 "[ . 1 . 2]" 2
332 1 100 MET H 1 101 LYS H 6.000 . 6.000 2.668 2.543 2.782 . 0 0 "[ . 1 . 2]" 2
333 1 88 ASP QB 1 89 PHE H . . 4.500 2.341 1.917 3.247 . 0 0 "[ . 1 . 2]" 2
334 1 121 MET H 1 122 MET H 4.500 . 4.500 2.714 2.607 2.818 . 0 0 "[ . 1 . 2]" 2
335 1 72 LEU H 1 73 GLN H 3.000 . 3.000 2.670 2.517 2.778 . 0 0 "[ . 1 . 2]" 2
336 1 55 GLU QG 1 56 LEU H 6.000 . 6.000 4.229 3.522 4.468 . 0 0 "[ . 1 . 2]" 2
337 1 121 MET H 1 121 MET QB 3.000 . 3.000 2.287 2.225 2.425 . 0 0 "[ . 1 . 2]" 2
338 1 72 LEU H 1 72 LEU QB 3.000 . 3.000 2.365 2.118 2.684 . 0 0 "[ . 1 . 2]" 2
339 1 72 LEU H 1 72 LEU HG 3.000 . 3.000 2.289 1.784 3.013 0.016 20 0 "[ . 1 . 2]" 2
340 1 120 ALA MB 1 121 MET H 4.500 . 4.500 2.596 2.429 2.703 . 0 0 "[ . 1 . 2]" 2
341 1 60 MET H 1 61 ARG H 4.500 . 4.500 2.668 2.587 2.751 . 0 0 "[ . 1 . 2]" 2
342 1 57 GLY QA 1 61 ARG H 4.500 . 4.500 3.260 3.157 3.436 . 0 0 "[ . 1 . 2]" 2
343 1 71 GLU HA 1 73 GLN H 4.500 . 4.500 4.442 4.366 4.617 0.117 18 0 "[ . 1 . 2]" 2
344 1 60 MET QB 1 61 ARG H 4.500 . 4.500 2.607 2.495 2.718 . 0 0 "[ . 1 . 2]" 2
345 1 72 LEU QB 1 73 GLN H 3.000 . 3.000 2.627 2.433 3.348 0.348 18 0 "[ . 1 . 2]" 2
346 1 61 ARG H 1 61 ARG QB 3.000 . 3.000 2.104 2.046 2.218 . 0 0 "[ . 1 . 2]" 2
347 1 53 THR MG 1 73 GLN H 6.000 . 6.000 3.635 2.885 4.556 . 0 0 "[ . 1 . 2]" 2
348 1 24 VAL H 1 25 GLU H 3.000 . 3.000 2.603 2.450 2.686 . 0 0 "[ . 1 . 2]" 2
349 1 25 GLU H 1 26 GLN H 3.000 . 3.000 2.692 2.595 2.796 . 0 0 "[ . 1 . 2]" 2
350 1 25 GLU H 1 25 GLU HA 3.000 . 3.000 2.810 2.779 2.838 . 0 0 "[ . 1 . 2]" 2
351 1 25 GLU H 1 25 GLU QB 3.000 . 3.000 2.278 2.238 2.369 . 0 0 "[ . 1 . 2]" 2
352 1 24 VAL QG 1 25 GLU H 6.000 . 6.000 2.839 1.945 3.227 . 0 0 "[ . 1 . 2]" 2
353 1 95 MET H 1 96 MET H 6.000 . 6.000 2.728 2.620 2.837 . 0 0 "[ . 1 . 2]" 2
354 1 84 SER H 1 85 GLY H 4.500 . 4.500 2.571 2.516 2.641 . 0 0 "[ . 1 . 2]" 2
355 1 30 GLU H 1 31 GLN H 3.000 . 3.000 2.703 2.599 2.758 . 0 0 "[ . 1 . 2]" 2
356 1 68 THR HB 1 70 GLU H 3.000 . 3.000 2.793 2.519 3.240 0.240 19 0 "[ . 1 . 2]" 2
357 1 28 THR HB 1 30 GLU H 4.500 . 4.500 2.976 2.840 3.229 . 0 0 "[ . 1 . 2]" 2
358 1 70 GLU H 1 70 GLU HA 3.000 . 3.000 2.831 2.802 2.866 . 0 0 "[ . 1 . 2]" 2
359 1 69 PRO HA 1 70 GLU H 6.000 . 6.000 3.538 3.453 3.581 . 0 0 "[ . 1 . 2]" 2
360 1 30 GLU H 1 30 GLU HA 3.000 . 3.000 2.818 2.807 2.840 . 0 0 "[ . 1 . 2]" 2
361 1 84 SER H 1 84 SER HA 3.000 . 3.000 2.840 2.811 2.865 . 0 0 "[ . 1 . 2]" 2
362 1 83 GLY QA 1 84 SER H 6.000 . 6.000 2.863 2.840 2.913 . 0 0 "[ . 1 . 2]" 2
363 1 39 PHE QB 1 40 ASP H 6.000 . 6.000 2.560 2.384 2.732 . 0 0 "[ . 1 . 2]" 2
364 1 40 ASP H 1 40 ASP QB 3.000 . 3.000 2.298 2.229 2.403 . 0 0 "[ . 1 . 2]" 2
365 1 70 GLU H 1 70 GLU QG 4.500 . 4.500 2.863 2.121 4.060 . 0 0 "[ . 1 . 2]" 2
366 1 70 GLU H 1 70 GLU QB 3.000 . 3.000 2.325 2.113 2.430 . 0 0 "[ . 1 . 2]" 2
367 1 68 THR MG 1 70 GLU H 6.000 . 6.000 4.242 2.549 4.561 . 0 0 "[ . 1 . 2]" 2
368 1 30 GLU HA 1 33 ASN H 4.500 . 4.500 3.543 3.391 3.700 . 0 0 "[ . 1 . 2]" 2
369 1 33 ASN H 1 33 ASN QB 3.000 . 3.000 2.264 2.078 2.357 . 0 0 "[ . 1 . 2]" 2
370 1 60 MET H 1 60 MET QG 3.000 . 3.000 2.451 2.191 3.298 0.298 13 0 "[ . 1 . 2]" 2
371 1 32 LYS QB 1 33 ASN H 3.000 . 3.000 2.550 2.431 2.793 . 0 0 "[ . 1 . 2]" 2
372 1 59 VAL QG 1 60 MET H 6.000 . 6.000 2.943 1.883 3.181 . 0 0 "[ . 1 . 2]" 2
373 1 35 PHE H 1 36 LYS HA 6.000 . 6.000 5.248 5.029 5.408 . 0 0 "[ . 1 . 2]" 2
374 1 35 PHE H 1 35 PHE QB 3.000 . 3.000 2.185 2.055 2.322 . 0 0 "[ . 1 . 2]" 2
375 1 123 GLN H 1 123 GLN QB 3.000 . 3.000 2.295 2.061 2.383 . 0 0 "[ . 1 . 2]" 2
376 1 122 MET QB 1 123 GLN H 6.000 . 6.000 2.631 2.392 3.488 . 0 0 "[ . 1 . 2]" 2
377 1 34 GLU QB 1 35 PHE H 6.000 . 6.000 2.609 2.422 3.453 . 0 0 "[ . 1 . 2]" 2
378 1 64 GLY H 1 65 GLN H 3.000 . 3.000 2.289 2.121 2.528 . 0 0 "[ . 1 . 2]" 2
379 1 129 ARG H 1 129 ARG HA 3.000 . 3.000 2.708 2.286 2.954 . 0 0 "[ . 1 . 2]" 2
380 1 61 ARG HA 1 65 GLN H 4.500 . 4.500 3.445 2.588 4.086 . 0 0 "[ . 1 . 2]" 2
381 1 64 GLY QA 1 65 GLN H 6.000 . 6.000 2.896 2.704 2.928 . 0 0 "[ . 1 . 2]" 2
382 1 65 GLN H 1 65 GLN QB 3.000 . 3.000 2.257 1.960 2.428 . 0 0 "[ . 1 . 2]" 2
383 1 63 LEU QB 1 65 GLN H 6.000 . 6.000 2.941 2.555 3.905 . 0 0 "[ . 1 . 2]" 2
384 1 24 VAL H 1 24 VAL QG 3.000 . 3.000 2.194 1.803 2.605 . 0 0 "[ . 1 . 2]" 2
385 1 75 MET H 1 76 ILE H 6.000 . 6.000 2.695 2.627 2.777 . 0 0 "[ . 1 . 2]" 2
386 1 74 GLU QB 1 75 MET H 6.000 . 6.000 2.565 2.471 2.689 . 0 0 "[ . 1 . 2]" 2
387 1 90 ASP H 1 90 ASP QB . . 3.000 2.387 2.202 2.656 . 0 0 "[ . 1 . 2]" 2
388 1 76 ILE H 1 76 ILE HB 3.000 . 3.000 2.374 2.079 2.617 . 0 0 "[ . 1 . 2]" 2
389 1 75 MET QB 1 76 ILE H 6.000 . 6.000 2.501 2.357 2.604 . 0 0 "[ . 1 . 2]" 2
390 1 76 ILE H 1 76 ILE QG 4.500 . 4.500 2.689 2.156 3.958 . 0 0 "[ . 1 . 2]" 2
391 1 63 LEU H 1 65 GLN H 6.000 . 6.000 3.652 3.286 4.092 . 0 0 "[ . 1 . 2]" 2
392 1 62 MET H 1 63 LEU H 3.000 . 3.000 2.322 2.238 2.473 . 0 0 "[ . 1 . 2]" 2
393 1 62 MET HA 1 63 LEU H 4.500 . 4.500 3.518 3.438 3.560 . 0 0 "[ . 1 . 2]" 2
394 1 62 MET QB 1 63 LEU H 6.000 . 6.000 2.728 2.455 3.641 . 0 0 "[ . 1 . 2]" 2
395 1 63 LEU H 1 63 LEU QB 3.000 . 3.000 2.212 2.055 2.427 . 0 0 "[ . 1 . 2]" 2
396 1 63 LEU H 1 63 LEU QD 4.500 . 4.500 2.972 2.105 3.641 . 0 0 "[ . 1 . 2]" 2
397 1 85 GLY H 1 86 THR H . . 3.000 2.496 2.431 2.641 . 0 0 "[ . 1 . 2]" 2
398 1 121 MET QB 1 122 MET H 4.500 . 4.500 2.481 2.345 2.620 . 0 0 "[ . 1 . 2]" 2
399 1 78 GLU H 1 79 VAL H 6.000 . 6.000 2.647 2.546 2.745 . 0 0 "[ . 1 . 2]" 2
400 1 77 ASP QB 1 78 GLU H 6.000 . 6.000 2.494 2.399 2.609 . 0 0 "[ . 1 . 2]" 2
401 1 117 SER QB 1 119 ASP H 6.000 . 6.000 3.015 2.631 3.698 . 0 0 "[ . 1 . 2]" 2
402 1 119 ASP H 1 119 ASP QB 3.000 . 3.000 2.353 2.248 2.641 . 0 0 "[ . 1 . 2]" 2
403 1 118 ALA MB 1 119 ASP H 6.000 . 6.000 2.612 2.435 2.737 . 0 0 "[ . 1 . 2]" 2
404 1 131 LYS QB 1 133 SER H 4.500 . 4.500 3.845 2.039 4.854 0.354 10 0 "[ . 1 . 2]" 2
405 1 47 GLU H 1 48 ASP H 6.000 . 6.000 2.582 2.386 2.665 . 0 0 "[ . 1 . 2]" 2
406 1 48 ASP H 1 49 GLY H 3.000 . 3.000 2.493 2.225 2.628 . 0 0 "[ . 1 . 2]" 2
407 1 47 GLU HA 1 48 ASP H 4.500 . 4.500 3.509 3.411 3.553 . 0 0 "[ . 1 . 2]" 2
408 1 47 GLU QB 1 48 ASP H 4.500 . 4.500 2.709 2.497 3.073 . 0 0 "[ . 1 . 2]" 2
409 1 46 ALA MB 1 48 ASP H 6.000 . 6.000 3.233 2.964 3.625 . 0 0 "[ . 1 . 2]" 2
410 1 125 LEU H 1 125 LEU HG 4.500 . 4.500 3.704 2.279 4.473 . 0 0 "[ . 1 . 2]" 2
411 1 131 LYS QG 1 133 SER H 6.000 . 6.000 4.701 3.138 6.121 0.121 16 0 "[ . 1 . 2]" 2
412 1 82 ASP H 1 83 GLY H . . 3.000 2.286 2.119 2.412 . 0 0 "[ . 1 . 2]" 2
413 1 26 GLN H 1 26 GLN HA 3.000 . 3.000 2.895 2.816 2.934 . 0 0 "[ . 1 . 2]" 2
414 1 25 GLU HA 1 26 GLN H 4.500 . 4.500 3.526 3.475 3.557 . 0 0 "[ . 1 . 2]" 2
415 1 26 GLN H 1 26 GLN QG 3.000 . 3.000 2.177 1.670 2.417 0.130 6 0 "[ . 1 . 2]" 2
416 1 26 GLN H 1 26 GLN QB . . 3.000 2.504 2.363 2.987 . 0 0 "[ . 1 . 2]" 2
417 1 26 GLN H 1 27 LEU QD 6.000 . 6.000 4.501 3.784 4.841 . 0 0 "[ . 1 . 2]" 2
418 1 27 LEU HA 1 28 THR H 3.000 . 3.000 2.240 2.162 2.449 . 0 0 "[ . 1 . 2]" 2
419 1 68 THR H 1 71 GLU QG 4.500 . 4.500 3.602 2.539 4.415 . 0 0 "[ . 1 . 2]" 2
420 1 28 THR H 1 31 GLN QG 4.500 . 4.500 3.524 2.230 4.363 . 0 0 "[ . 1 . 2]" 2
421 1 68 THR H 1 71 GLU QB 6.000 . 6.000 3.337 2.126 5.576 . 0 0 "[ . 1 . 2]" 2
422 1 27 LEU QB 1 28 THR H 6.000 . 6.000 2.848 2.317 3.104 . 0 0 "[ . 1 . 2]" 2
423 1 28 THR H 1 31 GLN QB 6.000 . 6.000 2.469 1.954 3.142 . 0 0 "[ . 1 . 2]" 2
424 1 68 THR H 1 68 THR MG 4.500 . 4.500 2.566 2.019 3.921 . 0 0 "[ . 1 . 2]" 2
425 1 27 LEU QD 1 28 THR H 6.000 . 6.000 3.313 2.385 3.904 . 0 0 "[ . 1 . 2]" 2
426 1 43 VAL QG 1 50 SER H 6.000 . 6.000 4.005 3.171 4.742 . 0 0 "[ . 1 . 2]" 2
427 1 49 GLY QA 1 50 SER H 4.500 . 4.500 2.909 2.819 2.925 . 0 0 "[ . 1 . 2]" 2
428 1 46 ALA MB 1 50 SER H 4.500 . 4.500 2.811 1.939 3.456 . 0 0 "[ . 1 . 2]" 2
429 1 52 SER HA 1 53 THR H 4.500 . 4.500 2.667 2.437 2.853 . 0 0 "[ . 1 . 2]" 2
430 1 52 SER QB 1 53 THR H 4.500 . 4.500 2.284 1.824 3.210 . 0 0 "[ . 1 . 2]" 2
431 1 53 THR H 1 53 THR MG 4.500 . 4.500 2.318 1.777 3.749 0.023 3 0 "[ . 1 . 2]" 2
432 1 83 GLY H 1 84 SER H 4.500 . 4.500 2.564 2.504 2.614 . 0 0 "[ . 1 . 2]" 2
433 1 63 LEU H 1 64 GLY H 3.000 . 3.000 2.593 2.491 2.874 . 0 0 "[ . 1 . 2]" 2
434 1 61 ARG HA 1 64 GLY H 6.000 . 6.000 3.572 3.198 4.135 . 0 0 "[ . 1 . 2]" 2
435 1 63 LEU HA 1 64 GLY H 6.000 . 6.000 3.353 3.151 3.480 . 0 0 "[ . 1 . 2]" 2
436 1 63 LEU QB 1 64 GLY H 6.000 . 6.000 3.223 2.880 3.594 . 0 0 "[ . 1 . 2]" 2
437 1 85 GLY QA 1 86 THR H 6.000 . 6.000 2.910 2.869 2.930 . 0 0 "[ . 1 . 2]" 2
438 1 56 LEU QB 1 57 GLY H 6.000 . 6.000 2.709 2.455 2.962 . 0 0 "[ . 1 . 2]" 2
439 1 42 PHE H 1 43 VAL H 6.000 . 6.000 2.640 2.494 2.777 . 0 0 "[ . 1 . 2]" 2
440 1 46 ALA MB 1 49 GLY H 6.000 . 6.000 2.430 1.833 2.923 . 0 0 "[ . 1 . 2]" 2
441 1 43 VAL H 1 43 VAL QG 3.000 . 3.000 2.123 1.772 2.782 0.028 19 0 "[ . 1 . 2]" 2
442 1 51 ILE H 1 87 VAL H 6.000 . 6.000 4.171 3.200 5.070 . 0 0 "[ . 1 . 2]" 2
443 1 127 GLY H 1 128 ALA H 6.000 . 6.000 2.962 2.069 4.103 . 0 0 "[ . 1 . 2]" 2
444 1 132 GLU QB 1 134 LEU H 6.000 . 6.000 4.540 3.019 5.393 . 0 0 "[ . 1 . 2]" 2
445 1 61 ARG QB 1 62 MET H 4.500 . 4.500 2.572 2.298 2.762 . 0 0 "[ . 1 . 2]" 2
446 1 86 THR MG 1 87 VAL H 6.000 . 6.000 3.312 2.074 3.852 . 0 0 "[ . 1 . 2]" 2
447 1 135 ASP QB 1 136 LEU H 6.000 . 6.000 3.305 1.677 4.049 0.123 16 0 "[ . 1 . 2]" 2
448 1 28 THR HB 1 29 GLU H 3.000 . 3.000 2.374 2.097 2.822 . 0 0 "[ . 1 . 2]" 2
449 1 33 ASN HA 1 36 LYS H 6.000 . 6.000 3.521 3.284 3.771 . 0 0 "[ . 1 . 2]" 2
450 1 121 MET HA 1 124 ALA H 4.500 . 4.500 3.566 3.330 3.771 . 0 0 "[ . 1 . 2]" 2
451 1 42 PHE QB 1 43 VAL H 6.000 . 6.000 2.767 2.548 3.094 . 0 0 "[ . 1 . 2]" 2
452 1 90 ASP HA 1 94 VAL H 6.000 . 6.000 3.402 3.280 3.581 . 0 0 "[ . 1 . 2]" 2
453 1 93 LEU QB 1 94 VAL H 6.000 . 6.000 2.490 2.036 2.700 . 0 0 "[ . 1 . 2]" 2
454 1 61 ARG H 1 61 ARG QD 6.000 . 6.000 3.848 2.435 4.819 . 0 0 "[ . 1 . 2]" 2
455 1 41 ILE H 1 41 ILE QG . . 4.500 2.309 1.835 3.959 . 0 0 "[ . 1 . 2]" 2
456 1 50 SER H 1 51 ILE H 6.000 . 6.000 4.457 4.313 4.607 . 0 0 "[ . 1 . 2]" 2
457 1 43 VAL QG 1 51 ILE H 6.000 . 6.000 3.825 1.794 5.774 0.006 17 0 "[ . 1 . 2]" 2
458 1 50 SER HA 1 51 ILE H 3.000 . 3.000 2.374 2.236 2.602 . 0 0 "[ . 1 . 2]" 2
459 1 43 VAL QG 1 44 LEU H 6.000 . 6.000 3.138 2.168 3.722 . 0 0 "[ . 1 . 2]" 2
460 1 12 PRO HA 1 13 ARG H 3.000 . 3.000 2.375 2.182 2.947 . 0 0 "[ . 1 . 2]" 2
461 1 76 ILE HA 1 77 ASP H 6.000 . 6.000 3.536 3.497 3.556 . 0 0 "[ . 1 . 2]" 2
462 1 16 MET H 1 17 ASP H 6.000 . 6.000 2.957 2.119 4.411 . 0 0 "[ . 1 . 2]" 2
463 1 88 ASP HA 1 89 PHE H 4.500 . 4.500 2.591 2.403 2.718 . 0 0 "[ . 1 . 2]" 2
464 1 69 PRO QD 1 70 GLU H 4.500 . 4.500 2.825 2.571 3.022 . 0 0 "[ . 1 . 2]" 2
465 1 30 GLU H 1 30 GLU QB 3.000 . 3.000 2.313 2.243 2.399 . 0 0 "[ . 1 . 2]" 2
466 1 60 MET H 1 60 MET ME 4.500 . 4.500 4.091 2.919 4.559 0.059 6 0 "[ . 1 . 2]" 2
467 1 103 ASP QB 1 104 SER H 6.000 . 6.000 2.674 2.430 3.853 . 0 0 "[ . 1 . 2]" 2
468 1 48 ASP H 1 50 SER H 6.000 . 6.000 3.739 3.003 4.127 . 0 0 "[ . 1 . 2]" 2
469 1 57 GLY H 1 72 LEU QD 6.000 . 6.000 3.451 2.681 4.217 . 0 0 "[ . 1 . 2]" 2
470 1 46 ALA H 1 46 ALA MB 3.000 . 3.000 2.253 2.157 2.394 . 0 0 "[ . 1 . 2]" 2
471 1 23 ALA H 1 97 VAL QG 6.000 . 6.000 4.119 3.294 5.305 . 0 0 "[ . 1 . 2]" 2
472 1 27 LEU QD 1 32 LYS H 6.000 . 6.000 4.516 3.573 5.055 . 0 0 "[ . 1 . 2]" 2
473 1 23 ALA MB 1 24 VAL H 4.500 . 4.500 2.198 1.656 2.417 0.144 8 0 "[ . 1 . 2]" 2
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