NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472791 |
1cfp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cfp
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 1018
_Distance_constraint_stats_list.Viol_count 1395
_Distance_constraint_stats_list.Viol_total 3899.432
_Distance_constraint_stats_list.Viol_max 1.694
_Distance_constraint_stats_list.Viol_rms 0.0464
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.1118
_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 0.650 0.104 24 0 "[ . 1 . 2 .]"
1 3 GLU 0.528 0.071 8 0 "[ . 1 . 2 .]"
1 4 LEU 0.978 0.239 1 0 "[ . 1 . 2 .]"
1 5 GLU 0.598 0.104 24 0 "[ . 1 . 2 .]"
1 6 LYS 4.909 0.289 12 0 "[ . 1 . 2 .]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 VAL 3.017 0.210 13 0 "[ . 1 . 2 .]"
1 9 VAL 0.292 0.074 10 0 "[ . 1 . 2 .]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 LEU 0.218 0.094 12 0 "[ . 1 . 2 .]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 14 VAL 0.937 0.303 21 0 "[ . 1 . 2 .]"
1 15 PHE 2.871 0.544 13 3 "[ . 1 + - * .]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 TYR 1.346 0.259 10 0 "[ . 1 . 2 .]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 GLU 1.499 0.099 14 0 "[ . 1 . 2 .]"
1 23 GLY 1.721 0.099 14 0 "[ . 1 . 2 .]"
1 24 ASP 0.222 0.091 3 0 "[ . 1 . 2 .]"
1 25 LYS 0.926 0.243 9 0 "[ . 1 . 2 .]"
1 26 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 LEU 1.432 0.138 20 0 "[ . 1 . 2 .]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 LYS 1.100 0.427 7 0 "[ . 1 . 2 .]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 LEU 0.545 0.170 21 0 "[ . 1 . 2 .]"
1 34 LYS 0.000 0.000 25 0 "[ . 1 . 2 .]"
1 35 GLU 0.088 0.067 21 0 "[ . 1 . 2 .]"
1 36 LEU 7.620 0.544 13 3 "[ . 1 + - * .]"
1 37 ILE 1.040 0.253 16 0 "[ . 1 . 2 .]"
1 38 ASN 0.219 0.104 6 0 "[ . 1 . 2 .]"
1 39 ASN 0.110 0.027 17 0 "[ . 1 . 2 .]"
1 40 GLU 5.042 0.281 25 0 "[ . 1 . 2 .]"
1 41 LEU 2.507 0.228 13 0 "[ . 1 . 2 .]"
1 42 SER 1.857 0.137 12 0 "[ . 1 . 2 .]"
1 43 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 PHE 0.253 0.114 13 0 "[ . 1 . 2 .]"
1 45 LEU 1.341 0.137 12 0 "[ . 1 . 2 .]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 47 GLU 0.253 0.114 13 0 "[ . 1 . 2 .]"
1 48 ILE 1.315 0.153 21 0 "[ . 1 . 2 .]"
1 49 LYS 0.908 0.074 22 0 "[ . 1 . 2 .]"
1 50 GLU 0.524 0.083 14 0 "[ . 1 . 2 .]"
1 51 GLN 0.524 0.083 14 0 "[ . 1 . 2 .]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 VAL 1.778 0.099 17 0 "[ . 1 . 2 .]"
1 54 VAL 2.890 0.322 16 0 "[ . 1 . 2 .]"
1 55 ASP 1.778 0.099 17 0 "[ . 1 . 2 .]"
1 56 LYS 2.797 0.143 12 0 "[ . 1 . 2 .]"
1 57 VAL 0.550 0.322 16 0 "[ . 1 . 2 .]"
1 58 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 THR 0.820 0.059 12 0 "[ . 1 . 2 .]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 ASP 1.343 0.283 21 0 "[ . 1 . 2 .]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 64 ASP 1.947 0.283 21 0 "[ . 1 . 2 .]"
1 65 GLY 0.605 0.179 15 0 "[ . 1 . 2 .]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 GLY 0.120 0.069 24 0 "[ . 1 . 2 .]"
1 68 GLU 2.276 0.288 9 0 "[ . 1 . 2 .]"
1 69 CYS 0.264 0.083 22 0 "[ . 1 . 2 .]"
1 70 ASP 0.957 0.318 22 0 "[ . 1 . 2 .]"
1 71 PHE 3.245 0.380 19 0 "[ . 1 . 2 .]"
1 72 GLN 2.879 0.292 24 0 "[ . 1 . 2 .]"
1 73 GLU 0.362 0.176 7 0 "[ . 1 . 2 .]"
1 74 PHE 0.362 0.176 7 0 "[ . 1 . 2 .]"
1 75 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 76 ALA 0.319 0.046 21 0 "[ . 1 . 2 .]"
1 77 PHE 19.613 1.694 17 20 "[***-* *******.*+ *2*****]"
1 78 VAL 3.208 0.222 24 0 "[ . 1 . 2 .]"
1 79 ALA 4.095 0.222 24 0 "[ . 1 . 2 .]"
1 80 MET 0.368 0.053 8 0 "[ . 1 . 2 .]"
1 81 ILE 19.362 1.694 17 20 "[***-* *******.*+ *2*****]"
1 82 THR 0.604 0.148 14 0 "[ . 1 . 2 .]"
1 83 THR 8.051 0.523 25 1 "[ . 1 . 2 +]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 85 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 88 PHE 4.580 0.523 25 1 "[ . 1 . 2 +]"
1 89 PHE 1.718 0.347 19 0 "[ . 1 . 2 .]"
1 90 GLU 0.270 0.111 22 0 "[ . 1 . 2 .]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 2 SER 0.662 0.101 24 0 "[ . 1 . 2 .]"
2 3 GLU 0.560 0.084 8 0 "[ . 1 . 2 .]"
2 4 LEU 0.978 0.235 1 0 "[ . 1 . 2 .]"
2 5 GLU 0.608 0.101 24 0 "[ . 1 . 2 .]"
2 6 LYS 4.769 0.281 25 0 "[ . 1 . 2 .]"
2 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 8 VAL 3.085 0.214 13 0 "[ . 1 . 2 .]"
2 9 VAL 0.315 0.076 13 0 "[ . 1 . 2 .]"
2 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 11 LEU 0.216 0.088 12 0 "[ . 1 . 2 .]"
2 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 13 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 14 VAL 0.912 0.306 21 0 "[ . 1 . 2 .]"
2 15 PHE 2.774 0.547 13 2 "[ . 1 + - 2 .]"
2 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 18 TYR 1.190 0.253 10 0 "[ . 1 . 2 .]"
2 19 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 20 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 21 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 22 GLU 1.500 0.097 14 0 "[ . 1 . 2 .]"
2 23 GLY 1.705 0.097 14 0 "[ . 1 . 2 .]"
2 24 ASP 0.205 0.092 3 0 "[ . 1 . 2 .]"
2 25 LYS 0.907 0.244 9 0 "[ . 1 . 2 .]"
2 26 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 28 LEU 1.459 0.135 20 0 "[ . 1 . 2 .]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 30 LYS 1.080 0.422 7 0 "[ . 1 . 2 .]"
2 31 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 33 LEU 0.558 0.169 21 0 "[ . 1 . 2 .]"
2 34 LYS 0.003 0.003 25 0 "[ . 1 . 2 .]"
2 35 GLU 0.085 0.068 21 0 "[ . 1 . 2 .]"
2 36 LEU 7.272 0.547 13 2 "[ . 1 + - 2 .]"
2 37 ILE 1.041 0.251 16 0 "[ . 1 . 2 .]"
2 38 ASN 0.222 0.104 6 0 "[ . 1 . 2 .]"
2 39 ASN 0.083 0.026 25 0 "[ . 1 . 2 .]"
2 40 GLU 5.227 0.289 12 0 "[ . 1 . 2 .]"
2 41 LEU 2.409 0.227 13 0 "[ . 1 . 2 .]"
2 42 SER 1.861 0.136 12 0 "[ . 1 . 2 .]"
2 43 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 44 PHE 0.240 0.112 13 0 "[ . 1 . 2 .]"
2 45 LEU 1.324 0.136 12 0 "[ . 1 . 2 .]"
2 46 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 47 GLU 0.240 0.112 13 0 "[ . 1 . 2 .]"
2 48 ILE 1.300 0.145 21 0 "[ . 1 . 2 .]"
2 49 LYS 0.912 0.074 22 0 "[ . 1 . 2 .]"
2 50 GLU 0.544 0.086 14 0 "[ . 1 . 2 .]"
2 51 GLN 0.544 0.086 14 0 "[ . 1 . 2 .]"
2 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 53 VAL 1.752 0.099 3 0 "[ . 1 . 2 .]"
2 54 VAL 2.912 0.324 16 0 "[ . 1 . 2 .]"
2 55 ASP 1.752 0.099 3 0 "[ . 1 . 2 .]"
2 56 LYS 2.816 0.147 12 0 "[ . 1 . 2 .]"
2 57 VAL 0.552 0.324 16 0 "[ . 1 . 2 .]"
2 58 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 60 THR 0.815 0.058 12 0 "[ . 1 . 2 .]"
2 61 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 62 ASP 1.677 0.283 21 0 "[ . 1 . 2 .]"
2 63 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 64 ASP 3.625 0.294 4 0 "[ . 1 . 2 .]"
2 65 GLY 1.948 0.294 4 0 "[ . 1 . 2 .]"
2 66 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 67 GLY 0.126 0.074 24 0 "[ . 1 . 2 .]"
2 68 GLU 2.270 0.286 9 0 "[ . 1 . 2 .]"
2 69 CYS 0.282 0.078 22 0 "[ . 1 . 2 .]"
2 70 ASP 0.961 0.304 22 0 "[ . 1 . 2 .]"
2 71 PHE 3.193 0.347 19 0 "[ . 1 . 2 .]"
2 72 GLN 2.909 0.283 18 0 "[ . 1 . 2 .]"
2 73 GLU 0.348 0.174 7 0 "[ . 1 . 2 .]"
2 74 PHE 0.348 0.174 7 0 "[ . 1 . 2 .]"
2 75 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 76 ALA 0.285 0.050 10 0 "[ . 1 . 2 .]"
2 77 PHE 19.573 1.693 17 20 "[***-* *******.*+ *2*****]"
2 78 VAL 3.103 0.235 24 0 "[ . 1 . 2 .]"
2 79 ALA 4.140 0.235 24 0 "[ . 1 . 2 .]"
2 80 MET 0.365 0.054 8 0 "[ . 1 . 2 .]"
2 81 ILE 19.358 1.693 17 20 "[***-* *******.*+ *2*****]"
2 82 THR 0.651 0.169 10 0 "[ . 1 . 2 .]"
2 83 THR 8.055 0.521 25 1 "[ . 1 . 2 +]"
2 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 85 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 88 PHE 4.784 0.521 25 1 "[ . 1 . 2 +]"
2 89 PHE 1.878 0.380 19 0 "[ . 1 . 2 .]"
2 90 GLU 0.277 0.112 22 0 "[ . 1 . 2 .]"
2 92 GLU 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 15 PHE QD 1 36 LEU QD 9.679 3.872 11.615 4.357 3.328 4.793 0.544 13 3 "[ . 1 + - * .]" 1
2 2 15 PHE QD 2 36 LEU QD 9.679 3.872 11.615 4.366 3.325 4.804 0.547 13 2 "[ . 1 + - 2 .]" 1
3 1 15 PHE QD 1 28 LEU QD . 2.229 4.000 2.944 2.262 3.878 . 0 0 "[ . 1 . 2 .]" 1
4 2 15 PHE QD 2 28 LEU QD . 2.229 4.000 2.953 2.326 3.951 . 0 0 "[ . 1 . 2 .]" 1
5 1 41 LEU HA 1 41 LEU QD . 2.053 4.465 2.437 1.861 2.921 0.192 8 0 "[ . 1 . 2 .]" 1
6 2 41 LEU HA 2 41 LEU QD . 2.053 4.465 2.437 1.864 2.918 0.190 8 0 "[ . 1 . 2 .]" 1
7 1 48 ILE MD 1 50 GLU HA 6.225 2.490 7.470 5.338 4.678 6.002 . 0 0 "[ . 1 . 2 .]" 1
8 2 48 ILE MD 2 50 GLU HA 6.225 2.490 7.470 5.339 4.669 6.001 . 0 0 "[ . 1 . 2 .]" 1
9 1 44 PHE QB 1 47 GLU HA 4.146 . 5.006 3.930 3.325 4.533 . 0 0 "[ . 1 . 2 .]" 1
10 2 44 PHE QB 2 47 GLU HA 4.146 . 5.006 3.932 3.337 4.533 . 0 0 "[ . 1 . 2 .]" 1
11 1 47 GLU HA 1 50 GLU QG 2.715 . 3.721 3.188 2.466 3.412 . 0 0 "[ . 1 . 2 .]" 1
12 2 47 GLU HA 2 50 GLU QG 2.715 . 3.721 3.186 2.470 3.411 . 0 0 "[ . 1 . 2 .]" 1
13 1 30 LYS HA 1 33 LEU QB 3.411 . 3.506 2.424 1.995 2.887 . 0 0 "[ . 1 . 2 .]" 1
14 2 30 LYS HA 2 33 LEU QB 3.411 . 3.506 2.424 1.991 2.900 . 0 0 "[ . 1 . 2 .]" 1
15 1 30 LYS HA 1 30 LYS QG . . 3.295 2.485 2.116 3.135 . 0 0 "[ . 1 . 2 .]" 1
16 2 30 LYS HA 2 30 LYS QG . . 3.295 2.486 2.119 3.136 . 0 0 "[ . 1 . 2 .]" 1
17 1 36 LEU QB 1 36 LEU QD 4.356 . 4.880 1.769 1.684 1.943 0.233 5 0 "[ . 1 . 2 .]" 1
18 2 36 LEU QB 2 36 LEU QD 4.356 . 4.880 1.773 1.689 1.941 0.228 5 0 "[ . 1 . 2 .]" 1
19 1 80 MET H 1 80 MET QB 2.783 . 2.941 2.050 1.925 2.308 . 0 0 "[ . 1 . 2 .]" 1
20 2 80 MET H 2 80 MET QB 2.783 . 2.941 2.049 1.927 2.304 . 0 0 "[ . 1 . 2 .]" 1
21 1 81 ILE H 1 81 ILE MD 6.368 2.547 7.642 3.159 2.432 3.518 0.115 23 0 "[ . 1 . 2 .]" 1
22 2 81 ILE H 2 81 ILE MD 6.368 2.547 7.642 3.158 2.416 3.517 0.131 23 0 "[ . 1 . 2 .]" 1
23 1 10 ALA H 1 10 ALA MB . . 3.573 2.022 1.908 2.189 . 0 0 "[ . 1 . 2 .]" 1
24 2 10 ALA H 2 10 ALA MB . . 3.573 2.023 1.907 2.194 . 0 0 "[ . 1 . 2 .]" 1
25 1 16 HIS HD2 1 17 GLN QB 4.141 . 5.147 4.197 2.657 4.682 . 0 0 "[ . 1 . 2 .]" 1
26 2 16 HIS HD2 2 17 GLN QB 4.141 . 5.147 4.196 2.662 4.691 . 0 0 "[ . 1 . 2 .]" 1
27 1 77 PHE QD 1 81 ILE MD 9.500 3.800 11.400 3.031 2.106 3.650 1.694 17 20 "[***-* *******.*+ *2*****]" 1
28 2 77 PHE QD 2 81 ILE MD 9.500 3.800 11.400 3.031 2.107 3.653 1.693 17 20 "[***-* *******.*+ *2*****]" 1
29 1 37 ILE MD 1 44 PHE QD 8.830 3.532 10.596 5.211 4.375 6.941 . 0 0 "[ . 1 . 2 .]" 1
30 2 37 ILE MD 2 44 PHE QD 8.830 3.532 10.596 5.211 4.382 6.939 . 0 0 "[ . 1 . 2 .]" 1
31 1 18 TYR QE 1 36 LEU QB . 2.309 3.886 2.496 2.050 3.990 0.259 10 0 "[ . 1 . 2 .]" 1
32 2 18 TYR QE 2 36 LEU QB . 2.309 3.886 2.485 2.055 3.782 0.253 10 0 "[ . 1 . 2 .]" 1
33 1 15 PHE HB2 1 15 PHE QD 2.929 . 3.258 2.466 2.288 2.812 . 0 0 "[ . 1 . 2 .]" 1
34 2 15 PHE HB2 2 15 PHE QD 2.929 . 3.258 2.470 2.300 2.841 . 0 0 "[ . 1 . 2 .]" 1
35 1 12 ILE MD 1 15 PHE QD 8.259 3.304 9.911 6.576 5.709 7.463 . 0 0 "[ . 1 . 2 .]" 1
36 2 12 ILE MD 2 15 PHE QD 8.259 3.304 9.911 6.580 5.718 7.467 . 0 0 "[ . 1 . 2 .]" 1
37 1 70 ASP HA 1 70 ASP HB2 2.935 . 3.358 2.842 2.286 3.045 . 0 0 "[ . 1 . 2 .]" 1
38 2 70 ASP HA 2 70 ASP HB2 2.935 . 3.358 2.842 2.287 3.045 . 0 0 "[ . 1 . 2 .]" 1
39 1 27 LYS HA 1 27 LYS QB 2.631 . 3.637 2.447 2.396 2.489 . 0 0 "[ . 1 . 2 .]" 1
40 2 27 LYS HA 2 27 LYS QB 2.631 . 3.637 2.448 2.395 2.489 . 0 0 "[ . 1 . 2 .]" 1
41 1 27 LYS HA 1 27 LYS QD 3.365 . 4.105 3.492 2.847 3.861 . 0 0 "[ . 1 . 2 .]" 1
42 2 27 LYS HA 2 27 LYS QD 3.365 . 4.105 3.492 2.850 3.860 . 0 0 "[ . 1 . 2 .]" 1
43 1 26 HIS HA 1 26 HIS QB 2.662 . 3.668 2.414 2.272 2.549 . 0 0 "[ . 1 . 2 .]" 1
44 2 26 HIS HA 2 26 HIS QB 2.662 . 3.668 2.414 2.271 2.549 . 0 0 "[ . 1 . 2 .]" 1
45 1 66 ASP HA 1 66 ASP QB 2.583 . 3.589 2.357 2.201 2.550 . 0 0 "[ . 1 . 2 .]" 1
46 2 66 ASP HA 2 66 ASP QB 2.583 . 3.589 2.356 2.201 2.550 . 0 0 "[ . 1 . 2 .]" 1
47 1 29 LYS HA 1 29 LYS QB 2.681 . 2.788 2.448 2.279 2.547 . 0 0 "[ . 1 . 2 .]" 1
48 2 29 LYS HA 2 29 LYS QB 2.681 . 2.788 2.448 2.277 2.547 . 0 0 "[ . 1 . 2 .]" 1
49 1 29 LYS HA 1 29 LYS QG 3.048 . 4.054 2.256 1.987 2.600 . 0 0 "[ . 1 . 2 .]" 1
50 2 29 LYS HA 2 29 LYS QG 3.048 . 4.054 2.255 1.991 2.598 . 0 0 "[ . 1 . 2 .]" 1
51 1 28 LEU HA 1 28 LEU QD . . 3.894 2.387 1.713 2.964 0.138 20 0 "[ . 1 . 2 .]" 1
52 2 28 LEU HA 2 28 LEU QD . . 3.894 2.388 1.716 2.967 0.135 20 0 "[ . 1 . 2 .]" 1
53 1 60 THR HB 1 60 THR MG 4.680 . 4.732 2.137 2.110 2.149 . 0 0 "[ . 1 . 2 .]" 1
54 2 60 THR HB 2 60 THR MG 4.680 . 4.732 2.137 2.109 2.148 . 0 0 "[ . 1 . 2 .]" 1
55 1 84 ALA HA 1 84 ALA MB . . 4.793 2.145 2.117 2.161 . 0 0 "[ . 1 . 2 .]" 1
56 2 84 ALA HA 2 84 ALA MB . . 4.793 2.144 2.118 2.160 . 0 0 "[ . 1 . 2 .]" 1
57 1 49 LYS HA 1 49 LYS QD 2.994 . 3.128 2.417 1.916 2.895 . 0 0 "[ . 1 . 2 .]" 1
58 2 49 LYS HA 2 49 LYS QD 2.994 . 3.128 2.418 1.924 2.896 . 0 0 "[ . 1 . 2 .]" 1
59 1 49 LYS HA 1 49 LYS QG 2.902 . 3.908 2.602 1.994 3.360 . 0 0 "[ . 1 . 2 .]" 1
60 2 49 LYS HA 2 49 LYS QG 2.902 . 3.908 2.604 1.996 3.358 . 0 0 "[ . 1 . 2 .]" 1
61 1 32 GLU HA 1 32 GLU HB2 2.453 . 3.275 3.006 2.835 3.049 . 0 0 "[ . 1 . 2 .]" 1
62 2 32 GLU HA 2 32 GLU HB2 2.453 . 3.275 3.006 2.839 3.047 . 0 0 "[ . 1 . 2 .]" 1
63 1 77 PHE HA 1 80 MET QB 3.823 . 4.801 2.002 1.799 2.388 . 0 0 "[ . 1 . 2 .]" 1
64 2 77 PHE HA 2 80 MET QB 3.823 . 4.801 2.003 1.805 2.389 . 0 0 "[ . 1 . 2 .]" 1
65 1 38 ASN HA 1 38 ASN QB 1.331 . 2.337 2.264 2.165 2.441 0.104 6 0 "[ . 1 . 2 .]" 1
66 2 38 ASN HA 2 38 ASN QB 1.331 . 2.337 2.264 2.165 2.441 0.104 6 0 "[ . 1 . 2 .]" 1
67 1 56 LYS HA 1 56 LYS QD 2.847 . 3.853 2.848 1.811 3.590 . 0 0 "[ . 1 . 2 .]" 1
68 2 56 LYS HA 2 56 LYS QD 2.847 . 3.853 2.848 1.808 3.594 . 0 0 "[ . 1 . 2 .]" 1
69 1 56 LYS HA 1 56 LYS QG 2.427 . 3.433 2.264 1.960 3.168 . 0 0 "[ . 1 . 2 .]" 1
70 2 56 LYS HA 2 56 LYS QG 2.427 . 3.433 2.264 1.962 3.167 . 0 0 "[ . 1 . 2 .]" 1
71 1 52 GLU HA 1 52 GLU QG 1.579 . 2.585 2.440 2.366 2.479 . 0 0 "[ . 1 . 2 .]" 1
72 2 52 GLU HA 2 52 GLU QG 1.579 . 2.585 2.440 2.366 2.480 . 0 0 "[ . 1 . 2 .]" 1
73 1 58 MET HA 1 61 LEU QD 4.922 . 5.764 3.276 2.331 4.040 . 0 0 "[ . 1 . 2 .]" 1
74 2 58 MET HA 2 61 LEU QD 4.922 . 5.764 3.277 2.329 4.045 . 0 0 "[ . 1 . 2 .]" 1
75 1 11 LEU HA 1 11 LEU QD 3.267 . 3.366 2.158 1.806 2.937 . 0 0 "[ . 1 . 2 .]" 1
76 2 11 LEU HA 2 11 LEU QD 3.267 . 3.366 2.160 1.812 2.934 . 0 0 "[ . 1 . 2 .]" 1
77 1 58 MET HA 1 58 MET ME 3.929 . 4.935 3.260 2.056 4.058 . 0 0 "[ . 1 . 2 .]" 1
78 2 58 MET HA 2 58 MET ME 3.929 . 4.935 3.258 2.053 4.054 . 0 0 "[ . 1 . 2 .]" 1
79 1 4 LEU HA 1 4 LEU QB 2.388 . 3.394 2.366 2.159 2.533 . 0 0 "[ . 1 . 2 .]" 1
80 2 4 LEU HA 2 4 LEU QB 2.388 . 3.394 2.365 2.156 2.534 . 0 0 "[ . 1 . 2 .]" 1
81 1 4 LEU HA 1 4 LEU QD 3.219 . 4.100 2.529 1.790 3.349 . 0 0 "[ . 1 . 2 .]" 1
82 2 4 LEU HA 2 4 LEU QD 3.219 . 4.100 2.528 1.797 3.351 . 0 0 "[ . 1 . 2 .]" 1
83 1 45 LEU HA 1 45 LEU QD . . 2.508 2.048 1.777 2.570 0.062 8 0 "[ . 1 . 2 .]" 1
84 2 45 LEU HA 2 45 LEU QD . . 2.508 2.048 1.775 2.572 0.064 8 0 "[ . 1 . 2 .]" 1
85 1 4 LEU HA 1 7 ALA MB 3.690 . 4.696 2.436 1.865 3.221 . 0 0 "[ . 1 . 2 .]" 1
86 2 4 LEU HA 2 7 ALA MB 3.690 . 4.696 2.434 1.860 3.221 . 0 0 "[ . 1 . 2 .]" 1
87 1 33 LEU HA 1 36 LEU QB . . 2.764 2.329 1.883 2.607 . 0 0 "[ . 1 . 2 .]" 1
88 2 33 LEU HA 2 36 LEU QB . . 2.764 2.330 1.896 2.601 . 0 0 "[ . 1 . 2 .]" 1
89 1 35 GLU HA 1 38 ASN QB 2.966 . 4.010 2.599 1.892 3.514 . 0 0 "[ . 1 . 2 .]" 1
90 2 35 GLU HA 2 38 ASN QB 2.966 . 4.010 2.601 1.887 3.515 . 0 0 "[ . 1 . 2 .]" 1
91 1 73 GLU HA 1 73 GLU HB3 2.610 . 3.616 2.394 2.321 2.675 . 0 0 "[ . 1 . 2 .]" 1
92 2 73 GLU HA 2 73 GLU HB3 2.610 . 3.616 2.394 2.325 2.675 . 0 0 "[ . 1 . 2 .]" 1
93 1 33 LEU HA 1 33 LEU QD . . 3.532 1.881 1.728 2.342 . 0 0 "[ . 1 . 2 .]" 1
94 2 33 LEU HA 2 33 LEU QD . . 3.532 1.883 1.729 2.344 . 0 0 "[ . 1 . 2 .]" 1
95 1 76 ALA HA 1 76 ALA MB 2.381 . 3.387 2.140 2.112 2.153 . 0 0 "[ . 1 . 2 .]" 1
96 2 76 ALA HA 2 76 ALA MB 2.381 . 3.387 2.140 2.111 2.153 . 0 0 "[ . 1 . 2 .]" 1
97 1 33 LEU HA 1 33 LEU QB . . 4.783 2.486 2.336 2.555 . 0 0 "[ . 1 . 2 .]" 1
98 2 33 LEU HA 2 33 LEU QB . . 4.783 2.486 2.336 2.556 . 0 0 "[ . 1 . 2 .]" 1
99 1 48 ILE HA 1 48 ILE HB 2.996 . 3.595 2.560 2.432 2.641 . 0 0 "[ . 1 . 2 .]" 1
100 2 48 ILE HA 2 48 ILE HB 2.996 . 3.595 2.560 2.432 2.641 . 0 0 "[ . 1 . 2 .]" 1
101 1 21 ARG HA 1 21 ARG QB 1.461 . 2.333 2.203 2.185 2.210 . 0 0 "[ . 1 . 2 .]" 1
102 2 21 ARG HA 2 21 ARG QB 1.461 . 2.333 2.202 2.186 2.209 . 0 0 "[ . 1 . 2 .]" 1
103 1 60 THR HA 1 60 THR MG 3.428 . 4.400 2.396 2.021 2.580 . 0 0 "[ . 1 . 2 .]" 1
104 2 60 THR HA 2 60 THR MG 3.428 . 4.400 2.397 2.025 2.583 . 0 0 "[ . 1 . 2 .]" 1
105 1 80 MET HA 1 80 MET QG 3.510 . 3.804 2.321 1.963 2.934 . 0 0 "[ . 1 . 2 .]" 1
106 2 80 MET HA 2 80 MET QG 3.510 . 3.804 2.321 1.966 2.939 . 0 0 "[ . 1 . 2 .]" 1
107 1 61 LEU HA 1 61 LEU QD . . 3.535 2.075 1.769 2.916 . 0 0 "[ . 1 . 2 .]" 1
108 2 61 LEU HA 2 61 LEU QD . . 3.535 2.076 1.768 2.915 . 0 0 "[ . 1 . 2 .]" 1
109 1 80 MET HA 1 80 MET QB 2.010 . 3.016 2.486 2.339 2.554 . 0 0 "[ . 1 . 2 .]" 1
110 2 80 MET HA 2 80 MET QB 2.010 . 3.016 2.486 2.339 2.553 . 0 0 "[ . 1 . 2 .]" 1
111 1 6 LYS HA 1 9 VAL HB 1.774 . 2.780 2.671 2.152 2.854 0.074 10 0 "[ . 1 . 2 .]" 1
112 2 6 LYS HA 2 9 VAL HB 1.774 . 2.780 2.671 2.156 2.856 0.076 13 0 "[ . 1 . 2 .]" 1
113 1 17 GLN HA 1 17 GLN QB 2.422 . 3.254 2.369 2.273 2.563 . 0 0 "[ . 1 . 2 .]" 1
114 2 17 GLN HA 2 17 GLN QB 2.422 . 3.254 2.370 2.271 2.556 . 0 0 "[ . 1 . 2 .]" 1
115 1 53 VAL HA 1 53 VAL QG 3.090 . 3.880 2.067 1.915 2.258 . 0 0 "[ . 1 . 2 .]" 1
116 2 53 VAL HA 2 53 VAL QG 3.090 . 3.880 2.067 1.917 2.256 . 0 0 "[ . 1 . 2 .]" 1
117 1 14 VAL HA 1 14 VAL MG2 3.036 . 4.042 2.415 2.165 3.209 . 0 0 "[ . 1 . 2 .]" 1
118 2 14 VAL HA 2 14 VAL MG2 3.036 . 4.042 2.418 2.172 3.208 . 0 0 "[ . 1 . 2 .]" 1
119 1 51 GLN HA 1 51 GLN QG 3.602 . 4.150 2.411 1.963 3.312 . 0 0 "[ . 1 . 2 .]" 1
120 2 51 GLN HA 2 51 GLN QG 3.602 . 4.150 2.411 1.967 3.314 . 0 0 "[ . 1 . 2 .]" 1
121 1 51 GLN HA 1 51 GLN QB 2.513 . 3.456 2.426 2.177 2.541 . 0 0 "[ . 1 . 2 .]" 1
122 2 51 GLN HA 2 51 GLN QB 2.513 . 3.456 2.426 2.176 2.541 . 0 0 "[ . 1 . 2 .]" 1
123 1 53 VAL HA 1 53 VAL HB 2.090 . 3.096 3.011 2.578 3.042 . 0 0 "[ . 1 . 2 .]" 1
124 2 53 VAL HA 2 53 VAL HB 2.090 . 3.096 3.011 2.578 3.042 . 0 0 "[ . 1 . 2 .]" 1
125 1 53 VAL HA 1 56 LYS QB 2.234 . 3.240 2.099 1.832 2.487 . 0 0 "[ . 1 . 2 .]" 1
126 2 53 VAL HA 2 56 LYS QB 2.234 . 3.240 2.102 1.843 2.480 . 0 0 "[ . 1 . 2 .]" 1
127 1 57 VAL HA 1 57 VAL HB 2.813 . 3.249 3.026 3.012 3.037 . 0 0 "[ . 1 . 2 .]" 1
128 2 57 VAL HA 2 57 VAL HB 2.813 . 3.249 3.026 3.011 3.039 . 0 0 "[ . 1 . 2 .]" 1
129 1 57 VAL HA 1 57 VAL QG 2.611 . 3.617 2.082 1.999 2.154 . 0 0 "[ . 1 . 2 .]" 1
130 2 57 VAL HA 2 57 VAL QG 2.611 . 3.617 2.081 1.996 2.153 . 0 0 "[ . 1 . 2 .]" 1
131 1 82 THR HA 1 82 THR MG 2.949 . 3.748 2.377 1.916 2.781 . 0 0 "[ . 1 . 2 .]" 1
132 2 82 THR HA 2 82 THR MG 2.949 . 3.748 2.378 1.908 2.804 . 0 0 "[ . 1 . 2 .]" 1
133 1 81 ILE HA 1 84 ALA MB 4.165 . 5.171 2.808 2.338 3.614 . 0 0 "[ . 1 . 2 .]" 1
134 2 81 ILE HA 2 84 ALA MB 4.165 . 5.171 2.813 2.357 3.615 . 0 0 "[ . 1 . 2 .]" 1
135 1 81 ILE HA 1 81 ILE MD 3.856 . 4.862 2.521 1.770 3.900 . 0 0 "[ . 1 . 2 .]" 1
136 2 81 ILE HA 2 81 ILE MD 3.856 . 4.862 2.518 1.765 3.903 . 0 0 "[ . 1 . 2 .]" 1
137 1 9 VAL HA 1 9 VAL HB 2.214 . 3.220 3.019 2.962 3.043 . 0 0 "[ . 1 . 2 .]" 1
138 2 9 VAL HA 2 9 VAL HB 2.214 . 3.220 3.019 2.964 3.044 . 0 0 "[ . 1 . 2 .]" 1
139 1 36 LEU HA 1 36 LEU QD 4.396 . 5.402 2.846 1.915 2.937 . 0 0 "[ . 1 . 2 .]" 1
140 2 36 LEU HA 2 36 LEU QD 4.396 . 5.402 2.846 1.908 2.937 . 0 0 "[ . 1 . 2 .]" 1
141 1 12 ILE HA 1 12 ILE QG 3.293 . 4.171 3.376 3.173 3.463 . 0 0 "[ . 1 . 2 .]" 1
142 2 12 ILE HA 2 12 ILE QG 3.293 . 4.171 3.375 3.181 3.470 . 0 0 "[ . 1 . 2 .]" 1
143 1 12 ILE HA 1 12 ILE MD 4.688 . 5.694 3.484 2.918 4.101 . 0 0 "[ . 1 . 2 .]" 1
144 2 12 ILE HA 2 12 ILE MD 4.688 . 5.694 3.486 2.961 4.103 . 0 0 "[ . 1 . 2 .]" 1
145 1 54 VAL HA 1 54 VAL HB 2.950 . 3.190 3.028 2.985 3.047 . 0 0 "[ . 1 . 2 .]" 1
146 2 54 VAL HA 2 54 VAL HB 2.950 . 3.190 3.029 2.987 3.047 . 0 0 "[ . 1 . 2 .]" 1
147 1 54 VAL HA 1 54 VAL QG . . 2.869 2.071 1.957 2.154 . 0 0 "[ . 1 . 2 .]" 1
148 2 54 VAL HA 2 54 VAL QG . . 2.869 2.070 1.958 2.153 . 0 0 "[ . 1 . 2 .]" 1
149 1 37 ILE HA 1 37 ILE HB 2.749 . 3.629 2.976 2.607 3.026 . 0 0 "[ . 1 . 2 .]" 1
150 2 37 ILE HA 2 37 ILE HB 2.749 . 3.629 2.976 2.604 3.025 . 0 0 "[ . 1 . 2 .]" 1
151 1 37 ILE HA 1 37 ILE MG . 2.206 3.305 2.354 1.953 2.634 0.253 16 0 "[ . 1 . 2 .]" 1
152 2 37 ILE HA 2 37 ILE MG . 2.206 3.305 2.353 1.954 2.635 0.251 16 0 "[ . 1 . 2 .]" 1
153 1 37 ILE HA 1 37 ILE MD 3.775 . 4.167 2.420 1.971 3.541 . 0 0 "[ . 1 . 2 .]" 1
154 2 37 ILE HA 2 37 ILE MD 3.775 . 4.167 2.420 1.957 3.544 . 0 0 "[ . 1 . 2 .]" 1
155 1 75 MET HA 1 75 MET QB 1.967 . 2.973 2.430 2.187 2.548 . 0 0 "[ . 1 . 2 .]" 1
156 2 75 MET HA 2 75 MET QB 1.967 . 2.973 2.433 2.186 2.547 . 0 0 "[ . 1 . 2 .]" 1
157 1 21 ARG QB 1 21 ARG QD 2.964 . 3.970 2.200 1.958 2.455 . 0 0 "[ . 1 . 2 .]" 1
158 2 21 ARG QB 2 21 ARG QD 2.964 . 3.970 2.200 1.962 2.459 . 0 0 "[ . 1 . 2 .]" 1
159 1 75 MET HA 1 75 MET ME 4.250 . 5.256 3.622 1.905 4.421 . 0 0 "[ . 1 . 2 .]" 1
160 2 75 MET HA 2 75 MET ME 4.250 . 5.256 3.601 1.906 4.383 . 0 0 "[ . 1 . 2 .]" 1
161 1 6 LYS QB 1 6 LYS QE 4.066 . 5.072 2.810 1.821 3.651 . 0 0 "[ . 1 . 2 .]" 1
162 2 6 LYS QB 2 6 LYS QE 4.066 . 5.072 2.814 1.829 3.651 . 0 0 "[ . 1 . 2 .]" 1
163 1 58 MET ME 1 58 MET QG 3.000 . 3.589 2.089 1.896 2.343 . 0 0 "[ . 1 . 2 .]" 1
164 2 58 MET ME 2 58 MET QG 3.000 . 3.589 2.088 1.897 2.355 . 0 0 "[ . 1 . 2 .]" 1
165 1 58 MET QB 1 58 MET QG 2.333 . 2.650 2.057 2.018 2.108 . 0 0 "[ . 1 . 2 .]" 1
166 2 58 MET QB 2 58 MET QG 2.333 . 2.650 2.057 2.019 2.108 . 0 0 "[ . 1 . 2 .]" 1
167 1 80 MET QB 1 80 MET QG . 2.054 2.380 2.045 2.001 2.101 0.053 8 0 "[ . 1 . 2 .]" 1
168 2 80 MET QB 2 80 MET QG . 2.054 2.380 2.045 2.001 2.101 0.054 8 0 "[ . 1 . 2 .]" 1
169 1 11 LEU QB 1 11 LEU QD . . 2.853 1.894 1.659 2.044 . 0 0 "[ . 1 . 2 .]" 1
170 2 11 LEU QB 2 11 LEU QD . . 2.853 1.894 1.660 2.044 . 0 0 "[ . 1 . 2 .]" 1
171 1 57 VAL HB 1 57 VAL QG 1.800 . 2.806 1.894 1.876 1.916 . 0 0 "[ . 1 . 2 .]" 1
172 2 57 VAL HB 2 57 VAL QG 1.800 . 2.806 1.894 1.876 1.917 . 0 0 "[ . 1 . 2 .]" 1
173 1 14 VAL HB 1 14 VAL MG2 2.065 . 3.071 2.131 2.111 2.155 . 0 0 "[ . 1 . 2 .]" 1
174 2 14 VAL HB 2 14 VAL MG2 2.065 . 3.071 2.131 2.110 2.155 . 0 0 "[ . 1 . 2 .]" 1
175 1 33 LEU QB 1 33 LEU QD 4.870 . 5.876 1.943 1.778 2.024 0.170 21 0 "[ . 1 . 2 .]" 1
176 2 33 LEU QB 2 33 LEU QD 4.870 . 5.876 1.943 1.780 2.023 0.169 21 0 "[ . 1 . 2 .]" 1
177 1 54 VAL HB 1 54 VAL QG . . 2.100 1.894 1.878 1.914 . 0 0 "[ . 1 . 2 .]" 1
178 2 54 VAL HB 2 54 VAL QG . . 2.100 1.894 1.879 1.914 . 0 0 "[ . 1 . 2 .]" 1
179 1 53 VAL HB 1 53 VAL QG 1.998 . 3.004 1.900 1.889 1.918 . 0 0 "[ . 1 . 2 .]" 1
180 2 53 VAL HB 2 53 VAL QG 1.998 . 3.004 1.900 1.888 1.918 . 0 0 "[ . 1 . 2 .]" 1
181 1 32 GLU HB2 1 32 GLU QG 2.253 . 3.259 2.309 2.175 2.546 . 0 0 "[ . 1 . 2 .]" 1
182 2 32 GLU HB2 2 32 GLU QG 2.253 . 3.259 2.310 2.176 2.547 . 0 0 "[ . 1 . 2 .]" 1
183 1 41 LEU QB 1 41 LEU QD 3.600 . 3.661 1.832 1.663 1.946 0.228 13 0 "[ . 1 . 2 .]" 1
184 2 41 LEU QB 2 41 LEU QD 3.600 . 3.661 1.832 1.664 1.946 0.227 13 0 "[ . 1 . 2 .]" 1
185 1 56 LYS QB 1 56 LYS QG 1.774 . 2.780 2.029 1.966 2.055 . 0 0 "[ . 1 . 2 .]" 1
186 2 56 LYS QB 2 56 LYS QG 1.774 . 2.780 2.030 1.967 2.056 . 0 0 "[ . 1 . 2 .]" 1
187 1 48 ILE HB 1 48 ILE MG 1.551 . 2.557 2.141 2.109 2.153 . 0 0 "[ . 1 . 2 .]" 1
188 2 48 ILE HB 2 48 ILE MG 1.551 . 2.557 2.141 2.109 2.153 . 0 0 "[ . 1 . 2 .]" 1
189 1 45 LEU QB 1 45 LEU QD 1.670 . 2.676 1.877 1.719 1.943 . 0 0 "[ . 1 . 2 .]" 1
190 2 45 LEU QB 2 45 LEU QD 1.670 . 2.676 1.877 1.720 1.941 . 0 0 "[ . 1 . 2 .]" 1
191 1 37 ILE HB 1 37 ILE MD 2.673 . 3.679 2.724 1.892 3.183 . 0 0 "[ . 1 . 2 .]" 1
192 2 37 ILE HB 2 37 ILE MD 2.673 . 3.679 2.724 1.893 3.185 . 0 0 "[ . 1 . 2 .]" 1
193 1 6 LYS QB 1 6 LYS QG 1.965 . 2.971 2.067 2.053 2.118 . 0 0 "[ . 1 . 2 .]" 1
194 2 6 LYS QB 2 6 LYS QG 1.965 . 2.971 2.066 2.054 2.119 . 0 0 "[ . 1 . 2 .]" 1
195 1 21 ARG QB 1 21 ARG QG 1.750 . 2.756 2.100 2.072 2.111 . 0 0 "[ . 1 . 2 .]" 1
196 2 21 ARG QB 2 21 ARG QG 1.750 . 2.756 2.100 2.073 2.112 . 0 0 "[ . 1 . 2 .]" 1
197 1 4 LEU QB 1 4 LEU HG 2.349 . 3.355 2.416 2.142 2.547 . 0 0 "[ . 1 . 2 .]" 1
198 2 4 LEU QB 2 4 LEU HG 2.349 . 3.355 2.415 2.140 2.545 . 0 0 "[ . 1 . 2 .]" 1
199 1 81 ILE HB 1 81 ILE QG 2.191 . 3.197 2.227 2.175 2.393 . 0 0 "[ . 1 . 2 .]" 1
200 2 81 ILE HB 2 81 ILE QG 2.191 . 3.197 2.227 2.175 2.392 . 0 0 "[ . 1 . 2 .]" 1
201 1 81 ILE QG 1 81 ILE MG 2.774 . 3.780 2.294 2.062 2.451 . 0 0 "[ . 1 . 2 .]" 1
202 2 81 ILE QG 2 81 ILE MG 2.774 . 3.780 2.293 2.053 2.448 . 0 0 "[ . 1 . 2 .]" 1
203 1 27 LYS QB 1 27 LYS QD 2.345 . 3.451 2.071 1.854 2.490 . 0 0 "[ . 1 . 2 .]" 1
204 2 27 LYS QB 2 27 LYS QD 2.345 . 3.451 2.071 1.855 2.490 . 0 0 "[ . 1 . 2 .]" 1
205 1 8 VAL MG1 1 8 VAL MG2 5.303 2.121 6.364 2.001 1.911 2.083 0.210 13 0 "[ . 1 . 2 .]" 1
206 2 8 VAL MG1 2 8 VAL MG2 5.303 2.121 6.364 2.001 1.907 2.081 0.214 13 0 "[ . 1 . 2 .]" 1
207 1 48 ILE QG 1 48 ILE MG . . 2.543 2.219 2.026 2.374 . 0 0 "[ . 1 . 2 .]" 1
208 2 48 ILE QG 2 48 ILE MG . . 2.543 2.218 2.025 2.375 . 0 0 "[ . 1 . 2 .]" 1
209 1 12 ILE HA 1 15 PHE QD 4.912 . 5.918 4.306 2.905 5.522 . 0 0 "[ . 1 . 2 .]" 1
210 2 12 ILE HA 2 15 PHE QD 4.912 . 5.918 4.306 2.903 5.599 . 0 0 "[ . 1 . 2 .]" 1
211 1 83 THR HA 1 83 THR HB 2.549 . 3.555 2.676 2.393 3.019 . 0 0 "[ . 1 . 2 .]" 1
212 2 83 THR HA 2 83 THR HB 2.549 . 3.555 2.677 2.403 3.019 . 0 0 "[ . 1 . 2 .]" 1
213 1 82 THR HB 1 83 THR MG 5.234 2.595 5.872 3.771 2.787 5.281 . 0 0 "[ . 1 . 2 .]" 1
214 2 82 THR HB 2 83 THR MG 5.234 2.595 5.872 3.792 2.788 5.282 . 0 0 "[ . 1 . 2 .]" 1
215 1 34 LYS HA 1 61 LEU QD 3.618 . 4.174 2.983 1.927 3.446 . 0 0 "[ . 1 . 2 .]" 1
216 2 34 LYS HA 2 61 LEU QD 3.618 . 4.174 2.983 1.930 3.447 . 0 0 "[ . 1 . 2 .]" 1
217 1 15 PHE HA 1 36 LEU QD 5.201 2.080 6.241 4.273 4.031 4.761 . 0 0 "[ . 1 . 2 .]" 1
218 2 15 PHE HA 2 36 LEU QD 5.201 2.080 6.241 4.278 4.084 4.761 . 0 0 "[ . 1 . 2 .]" 1
219 1 74 PHE HA 1 74 PHE QD 3.867 . 3.916 2.705 2.189 3.482 . 0 0 "[ . 1 . 2 .]" 1
220 2 74 PHE HA 2 74 PHE QD 3.867 . 3.916 2.701 2.185 3.462 . 0 0 "[ . 1 . 2 .]" 1
221 1 15 PHE HA 1 15 PHE QD 3.002 . 4.008 2.590 1.963 2.896 . 0 0 "[ . 1 . 2 .]" 1
222 2 15 PHE HA 2 15 PHE QD 3.002 . 4.008 2.585 1.951 2.899 . 0 0 "[ . 1 . 2 .]" 1
223 1 2 SER HA 1 2 SER QB 2.489 . 3.495 2.330 2.167 2.549 . 0 0 "[ . 1 . 2 .]" 1
224 2 2 SER HA 2 2 SER QB 2.489 . 3.495 2.330 2.167 2.549 . 0 0 "[ . 1 . 2 .]" 1
225 1 57 VAL HA 1 60 THR HB 4.457 . 4.828 3.755 3.041 4.077 . 0 0 "[ . 1 . 2 .]" 1
226 2 57 VAL HA 2 60 THR HB 4.457 . 4.828 3.759 3.045 4.081 . 0 0 "[ . 1 . 2 .]" 1
227 1 63 SER HA 1 63 SER QB 1.418 . 2.424 2.193 2.169 2.345 . 0 0 "[ . 1 . 2 .]" 1
228 2 63 SER HA 2 63 SER QB 1.418 . 2.424 2.193 2.170 2.343 . 0 0 "[ . 1 . 2 .]" 1
229 1 79 ALA HA 1 82 THR HB 2.015 . 3.021 2.604 1.847 3.169 0.148 14 0 "[ . 1 . 2 .]" 1
230 2 79 ALA HA 2 82 THR HB 2.015 . 3.021 2.605 1.824 3.183 0.162 14 0 "[ . 1 . 2 .]" 1
231 1 21 ARG HA 1 21 ARG QD 4.690 . 5.696 4.389 4.065 4.593 . 0 0 "[ . 1 . 2 .]" 1
232 2 21 ARG HA 2 21 ARG QD 4.690 . 5.696 4.389 4.070 4.596 . 0 0 "[ . 1 . 2 .]" 1
233 1 15 PHE HA 1 15 PHE HB2 1.724 . 3.030 2.929 2.807 3.035 0.005 18 0 "[ . 1 . 2 .]" 1
234 2 15 PHE HA 2 15 PHE HB2 1.724 . 3.030 2.934 2.808 3.034 0.005 18 0 "[ . 1 . 2 .]" 1
235 1 56 LYS HA 1 56 LYS QE 3.650 . 4.656 3.951 1.856 4.235 . 0 0 "[ . 1 . 2 .]" 1
236 2 56 LYS HA 2 56 LYS QE 3.650 . 4.656 3.952 1.859 4.235 . 0 0 "[ . 1 . 2 .]" 1
237 1 10 ALA HA 1 13 ASP QB 2.680 . 3.686 2.650 2.456 3.108 . 0 0 "[ . 1 . 2 .]" 1
238 2 10 ALA HA 2 13 ASP QB 2.680 . 3.686 2.649 2.449 3.106 . 0 0 "[ . 1 . 2 .]" 1
239 1 13 ASP HA 1 13 ASP QB 2.283 . 3.289 2.548 2.426 2.564 . 0 0 "[ . 1 . 2 .]" 1
240 2 13 ASP HA 2 13 ASP QB 2.283 . 3.289 2.548 2.427 2.566 . 0 0 "[ . 1 . 2 .]" 1
241 1 58 MET HA 1 58 MET QG 2.259 . 3.265 2.543 2.093 2.905 . 0 0 "[ . 1 . 2 .]" 1
242 2 58 MET HA 2 58 MET QG 2.259 . 3.265 2.543 2.091 2.901 . 0 0 "[ . 1 . 2 .]" 1
243 1 82 THR HA 1 85 CYS QB 3.869 . 4.875 2.863 1.816 4.242 . 0 0 "[ . 1 . 2 .]" 1
244 2 82 THR HA 2 85 CYS QB 3.869 . 4.875 2.860 1.813 4.239 . 0 0 "[ . 1 . 2 .]" 1
245 1 74 PHE HA 1 77 PHE QB 5.480 2.192 6.576 3.414 2.824 3.951 . 0 0 "[ . 1 . 2 .]" 1
246 2 74 PHE HA 2 77 PHE QB 5.480 2.192 6.576 3.416 2.836 3.948 . 0 0 "[ . 1 . 2 .]" 1
247 1 36 LEU HA 1 39 ASN QB 4.232 . 5.238 2.925 2.581 3.647 . 0 0 "[ . 1 . 2 .]" 1
248 2 36 LEU HA 2 39 ASN QB 4.232 . 5.238 2.924 2.563 3.654 . 0 0 "[ . 1 . 2 .]" 1
249 1 30 LYS HA 1 30 LYS QE 6.839 2.736 8.207 4.378 3.826 5.317 . 0 0 "[ . 1 . 2 .]" 1
250 2 30 LYS HA 2 30 LYS QE 6.839 2.736 8.207 4.379 3.823 5.313 . 0 0 "[ . 1 . 2 .]" 1
251 1 55 ASP HA 1 55 ASP QB 1.204 . 2.510 2.265 2.248 2.279 . 0 0 "[ . 1 . 2 .]" 1
252 2 55 ASP HA 2 55 ASP QB 1.204 . 2.510 2.265 2.248 2.277 . 0 0 "[ . 1 . 2 .]" 1
253 1 63 SER HA 1 66 ASP QB 5.140 2.056 6.168 3.923 2.137 5.702 . 0 0 "[ . 1 . 2 .]" 1
254 2 63 SER HA 2 66 ASP QB 5.140 2.056 6.168 3.923 2.139 5.688 . 0 0 "[ . 1 . 2 .]" 1
255 1 8 VAL HA 1 11 LEU QB . . 3.471 2.875 1.971 3.492 0.022 15 0 "[ . 1 . 2 .]" 1
256 2 8 VAL HA 2 11 LEU QB . . 3.471 2.874 1.962 3.493 0.023 15 0 "[ . 1 . 2 .]" 1
257 1 5 GLU HA 1 5 GLU QG 5.491 2.196 6.589 2.689 2.177 3.316 0.020 11 0 "[ . 1 . 2 .]" 1
258 2 5 GLU HA 2 5 GLU QG 5.491 2.196 6.589 2.690 2.173 3.316 0.023 11 0 "[ . 1 . 2 .]" 1
259 1 63 SER QB 1 66 ASP QB 4.282 . 5.288 3.934 3.079 4.273 . 0 0 "[ . 1 . 2 .]" 1
260 2 63 SER QB 2 66 ASP QB 4.282 . 5.288 3.931 3.089 4.272 . 0 0 "[ . 1 . 2 .]" 1
261 1 32 GLU HA 1 32 GLU HB3 2.031 . 3.037 2.543 2.377 2.902 . 0 0 "[ . 1 . 2 .]" 1
262 2 32 GLU HA 2 32 GLU HB3 2.031 . 3.037 2.543 2.377 2.901 . 0 0 "[ . 1 . 2 .]" 1
263 1 2 SER QB 1 5 GLU HB2 4.986 . 5.992 4.667 3.057 5.431 . 0 0 "[ . 1 . 2 .]" 1
264 2 2 SER QB 2 5 GLU HB2 4.986 . 5.992 4.671 3.067 5.435 . 0 0 "[ . 1 . 2 .]" 1
265 1 54 VAL HA 1 57 VAL HB 3.213 . 3.771 2.461 1.824 2.839 . 0 0 "[ . 1 . 2 .]" 1
266 2 54 VAL HA 2 57 VAL HB 3.213 . 3.771 2.461 1.833 2.838 . 0 0 "[ . 1 . 2 .]" 1
267 1 58 MET HA 1 58 MET QB 2.565 . 3.571 2.403 2.343 2.464 . 0 0 "[ . 1 . 2 .]" 1
268 2 58 MET HA 2 58 MET QB 2.565 . 3.571 2.404 2.343 2.465 . 0 0 "[ . 1 . 2 .]" 1
269 1 50 GLU HA 1 50 GLU QB 2.286 . 3.292 2.194 2.176 2.202 . 0 0 "[ . 1 . 2 .]" 1
270 2 50 GLU HA 2 50 GLU QB 2.286 . 3.292 2.194 2.175 2.203 . 0 0 "[ . 1 . 2 .]" 1
271 1 22 GLU HA 1 22 GLU QB 2.530 . 3.536 2.427 2.166 2.548 . 0 0 "[ . 1 . 2 .]" 1
272 2 22 GLU HA 2 22 GLU QB 2.530 . 3.536 2.427 2.166 2.548 . 0 0 "[ . 1 . 2 .]" 1
273 1 59 GLU HA 1 59 GLU QB 0.406 . 2.400 2.194 2.180 2.263 . 0 0 "[ . 1 . 2 .]" 1
274 2 59 GLU HA 2 59 GLU QB 0.406 . 2.400 2.195 2.178 2.261 . 0 0 "[ . 1 . 2 .]" 1
275 1 8 VAL HA 1 11 LEU HG 4.035 . 5.041 2.798 1.764 4.573 . 0 0 "[ . 1 . 2 .]" 1
276 2 8 VAL HA 2 11 LEU HG 4.035 . 5.041 2.798 1.771 4.589 . 0 0 "[ . 1 . 2 .]" 1
277 1 32 GLU HA 1 32 GLU QG 2.045 . 3.051 2.358 2.036 2.561 . 0 0 "[ . 1 . 2 .]" 1
278 2 32 GLU HA 2 32 GLU QG 2.045 . 3.051 2.359 2.034 2.566 . 0 0 "[ . 1 . 2 .]" 1
279 1 78 VAL HA 1 81 ILE HB 3.723 . 4.439 3.109 2.556 3.850 . 0 0 "[ . 1 . 2 .]" 1
280 2 78 VAL HA 2 81 ILE HB 3.723 . 4.439 3.109 2.561 3.829 . 0 0 "[ . 1 . 2 .]" 1
281 1 68 GLU HA 1 68 GLU HB2 1.581 . 2.587 2.473 2.329 2.633 0.046 12 0 "[ . 1 . 2 .]" 1
282 2 68 GLU HA 2 68 GLU HB2 1.581 . 2.587 2.474 2.326 2.631 0.044 12 0 "[ . 1 . 2 .]" 1
283 1 31 SER HA 1 34 LYS QB . . 3.548 2.949 2.294 3.405 . 0 0 "[ . 1 . 2 .]" 1
284 2 31 SER HA 2 34 LYS QB . . 3.548 2.947 2.270 3.400 . 0 0 "[ . 1 . 2 .]" 1
285 1 30 LYS HA 1 30 LYS QD 4.240 . 5.246 3.871 1.868 4.484 . 0 0 "[ . 1 . 2 .]" 1
286 2 30 LYS HA 2 30 LYS QD 4.240 . 5.246 3.871 1.863 4.486 . 0 0 "[ . 1 . 2 .]" 1
287 1 9 VAL HA 1 12 ILE QG 2.835 . 3.841 2.488 1.734 3.366 . 0 0 "[ . 1 . 2 .]" 1
288 2 9 VAL HA 2 12 ILE QG 2.835 . 3.841 2.479 1.737 3.363 . 0 0 "[ . 1 . 2 .]" 1
289 1 45 LEU HA 1 45 LEU QB 1.554 . 2.560 2.468 2.182 2.497 . 0 0 "[ . 1 . 2 .]" 1
290 2 45 LEU HA 2 45 LEU QB 1.554 . 2.560 2.468 2.183 2.498 . 0 0 "[ . 1 . 2 .]" 1
291 1 42 SER HA 1 45 LEU QB 1.568 . 2.574 2.360 1.966 2.571 . 0 0 "[ . 1 . 2 .]" 1
292 2 42 SER HA 2 45 LEU QB 1.568 . 2.574 2.360 1.971 2.570 . 0 0 "[ . 1 . 2 .]" 1
293 1 6 LYS HA 1 6 LYS QG 2.210 . 3.216 2.600 2.332 2.815 . 0 0 "[ . 1 . 2 .]" 1
294 2 6 LYS HA 2 6 LYS QG 2.210 . 3.216 2.599 2.328 2.809 . 0 0 "[ . 1 . 2 .]" 1
295 1 34 LYS HA 1 34 LYS HD3 1.936 . 2.942 2.258 1.866 2.942 . 25 0 "[ . 1 . 2 .]" 1
296 2 34 LYS HA 2 34 LYS HD3 1.936 . 2.942 2.258 1.867 2.945 0.003 25 0 "[ . 1 . 2 .]" 1
297 1 81 ILE HA 1 81 ILE QG 2.418 . 3.424 2.889 2.486 3.182 . 0 0 "[ . 1 . 2 .]" 1
298 2 81 ILE HA 2 81 ILE QG 2.418 . 3.424 2.888 2.484 3.182 . 0 0 "[ . 1 . 2 .]" 1
299 1 78 VAL HA 1 81 ILE QG 3.670 . 4.676 2.605 1.826 3.776 . 0 0 "[ . 1 . 2 .]" 1
300 2 78 VAL HA 2 81 ILE QG 3.670 . 4.676 2.606 1.827 3.792 . 0 0 "[ . 1 . 2 .]" 1
301 1 41 LEU HA 1 41 LEU HG 2.916 . 3.922 2.633 2.070 3.561 . 0 0 "[ . 1 . 2 .]" 1
302 2 41 LEU HA 2 41 LEU HG 2.916 . 3.922 2.632 2.073 3.561 . 0 0 "[ . 1 . 2 .]" 1
303 1 28 LEU HA 1 28 LEU HG 2.418 . 3.424 2.620 1.885 3.553 0.129 20 0 "[ . 1 . 2 .]" 1
304 2 28 LEU HA 2 28 LEU HG 2.418 . 3.424 2.619 1.880 3.553 0.129 20 0 "[ . 1 . 2 .]" 1
305 1 73 GLU HA 1 76 ALA MB 3.757 . 4.387 1.924 1.729 2.161 . 0 0 "[ . 1 . 2 .]" 1
306 2 73 GLU HA 2 76 ALA MB 3.757 . 4.387 1.923 1.733 2.181 . 0 0 "[ . 1 . 2 .]" 1
307 1 25 LYS HA 1 25 LYS QD 5.359 2.144 6.431 3.246 1.901 4.317 0.243 9 0 "[ . 1 . 2 .]" 1
308 2 25 LYS HA 2 25 LYS QD 5.359 2.144 6.431 3.248 1.900 4.325 0.244 9 0 "[ . 1 . 2 .]" 1
309 1 54 VAL HA 1 57 VAL QG 5.321 2.128 6.385 3.033 1.807 3.427 0.322 16 0 "[ . 1 . 2 .]" 1
310 2 54 VAL HA 2 57 VAL QG 5.321 2.128 6.385 3.032 1.804 3.424 0.324 16 0 "[ . 1 . 2 .]" 1
311 1 79 ALA HA 1 82 THR MG 6.311 2.524 7.573 3.786 2.390 4.472 0.135 10 0 "[ . 1 . 2 .]" 1
312 2 79 ALA HA 2 82 THR MG 6.311 2.524 7.573 3.783 2.355 4.469 0.169 10 0 "[ . 1 . 2 .]" 1
313 1 12 ILE HA 1 12 ILE MG 3.032 . 4.038 2.573 2.393 2.842 . 0 0 "[ . 1 . 2 .]" 1
314 2 12 ILE HA 2 12 ILE MG 3.032 . 4.038 2.571 2.393 2.808 . 0 0 "[ . 1 . 2 .]" 1
315 1 2 SER H 1 3 GLU H 6.028 2.411 7.233 2.651 2.392 3.023 0.019 8 0 "[ . 1 . 2 .]" 1
316 2 2 SER H 2 3 GLU H 6.028 2.411 7.233 2.651 2.391 3.024 0.020 8 0 "[ . 1 . 2 .]" 1
317 1 2 SER H 1 5 GLU H 5.070 2.028 5.786 5.718 5.348 5.890 0.104 24 0 "[ . 1 . 2 .]" 1
318 2 2 SER H 2 5 GLU H 5.070 2.028 5.786 5.715 5.340 5.887 0.101 24 0 "[ . 1 . 2 .]" 1
319 1 2 SER H 1 6 LYS H 5.309 2.124 6.266 5.967 5.607 6.276 0.010 21 0 "[ . 1 . 2 .]" 1
320 2 2 SER H 2 6 LYS H 5.309 2.124 6.266 5.966 5.607 6.279 0.013 21 0 "[ . 1 . 2 .]" 1
321 1 43 HIS H 1 44 PHE H 3.477 . 4.037 2.869 2.625 3.331 . 0 0 "[ . 1 . 2 .]" 1
322 2 43 HIS H 2 44 PHE H 3.477 . 4.037 2.869 2.620 3.338 . 0 0 "[ . 1 . 2 .]" 1
323 1 43 HIS H 1 45 LEU H 5.115 2.046 6.138 3.926 3.461 4.121 . 0 0 "[ . 1 . 2 .]" 1
324 2 43 HIS H 2 45 LEU H 5.115 2.046 6.138 3.927 3.467 4.127 . 0 0 "[ . 1 . 2 .]" 1
325 1 42 SER H 1 43 HIS H 4.271 . 5.126 2.888 2.493 3.112 . 0 0 "[ . 1 . 2 .]" 1
326 2 42 SER H 2 43 HIS H 4.271 . 5.126 2.888 2.502 3.118 . 0 0 "[ . 1 . 2 .]" 1
327 1 17 GLN H 1 19 SER H 4.518 . 5.422 4.372 3.611 5.248 . 0 0 "[ . 1 . 2 .]" 1
328 2 17 GLN H 2 19 SER H 4.518 . 5.422 4.376 3.618 5.240 . 0 0 "[ . 1 . 2 .]" 1
329 1 18 TYR H 1 19 SER H 3.186 . 3.836 3.247 2.654 3.655 . 0 0 "[ . 1 . 2 .]" 1
330 2 18 TYR H 2 19 SER H 3.186 . 3.836 3.245 2.635 3.647 . 0 0 "[ . 1 . 2 .]" 1
331 1 19 SER H 1 20 GLY H 3.798 . 4.558 2.643 2.334 3.031 . 0 0 "[ . 1 . 2 .]" 1
332 2 19 SER H 2 20 GLY H 3.798 . 4.558 2.644 2.333 3.032 . 0 0 "[ . 1 . 2 .]" 1
333 1 28 LEU H 1 69 CYS H 3.475 . 4.170 3.507 2.512 4.253 0.083 22 0 "[ . 1 . 2 .]" 1
334 2 28 LEU H 2 69 CYS H 3.475 . 4.170 3.504 2.506 4.248 0.078 22 0 "[ . 1 . 2 .]" 1
335 1 68 GLU H 1 69 CYS H 4.193 . 5.031 3.880 2.991 4.548 . 0 0 "[ . 1 . 2 .]" 1
336 2 68 GLU H 2 69 CYS H 4.193 . 5.031 3.880 2.996 4.547 . 0 0 "[ . 1 . 2 .]" 1
337 1 69 CYS H 1 70 ASP H 4.126 . 4.951 4.139 3.498 4.647 . 0 0 "[ . 1 . 2 .]" 1
338 2 69 CYS H 2 70 ASP H 4.126 . 4.951 4.139 3.491 4.645 . 0 0 "[ . 1 . 2 .]" 1
339 1 30 LYS H 1 31 SER H 3.989 . 4.501 2.972 2.812 3.160 . 0 0 "[ . 1 . 2 .]" 1
340 2 30 LYS H 2 31 SER H 3.989 . 4.501 2.971 2.821 3.150 . 0 0 "[ . 1 . 2 .]" 1
341 1 34 LYS H 1 35 GLU H 3.150 . 3.800 2.980 2.826 3.146 . 0 0 "[ . 1 . 2 .]" 1
342 2 34 LYS H 2 35 GLU H 3.150 . 3.800 2.981 2.822 3.144 . 0 0 "[ . 1 . 2 .]" 1
343 1 38 ASN H 1 38 ASN QD 4.061 . 4.782 3.613 2.586 4.302 . 0 0 "[ . 1 . 2 .]" 1
344 2 38 ASN H 2 38 ASN QD 4.061 . 4.782 3.613 2.576 4.304 . 0 0 "[ . 1 . 2 .]" 1
345 1 15 PHE QD 1 71 PHE H 4.201 . 5.041 4.489 2.943 5.032 . 0 0 "[ . 1 . 2 .]" 1
346 2 15 PHE QD 2 71 PHE H 4.201 . 5.041 4.482 2.843 5.029 . 0 0 "[ . 1 . 2 .]" 1
347 1 15 PHE QD 1 74 PHE H 4.411 . 6.094 5.488 4.810 5.799 . 0 0 "[ . 1 . 2 .]" 1
348 2 15 PHE QD 2 74 PHE H 4.411 . 6.094 5.493 4.807 5.832 . 0 0 "[ . 1 . 2 .]" 1
349 1 15 PHE H 1 15 PHE QD . . 3.599 3.156 2.471 3.630 0.031 11 0 "[ . 1 . 2 .]" 1
350 2 15 PHE H 2 15 PHE QD . . 3.599 3.153 2.480 3.631 0.032 11 0 "[ . 1 . 2 .]" 1
351 1 89 PHE H 1 89 PHE QD 4.328 . 5.193 2.817 1.977 3.838 . 0 0 "[ . 1 . 2 .]" 1
352 2 89 PHE H 2 89 PHE QD 4.328 . 5.193 2.850 2.029 3.842 . 0 0 "[ . 1 . 2 .]" 1
353 1 69 CYS HA 1 70 ASP H 2.514 . 3.164 2.351 2.101 2.653 . 0 0 "[ . 1 . 2 .]" 1
354 2 69 CYS HA 2 70 ASP H 2.514 . 3.164 2.351 2.097 2.648 . 0 0 "[ . 1 . 2 .]" 1
355 1 41 LEU HA 1 44 PHE H 4.559 . 5.471 4.246 3.857 4.687 . 0 0 "[ . 1 . 2 .]" 1
356 2 41 LEU HA 2 44 PHE H 4.559 . 5.471 4.246 3.874 4.689 . 0 0 "[ . 1 . 2 .]" 1
357 1 41 LEU HA 1 43 HIS H 4.248 . 5.098 3.336 3.111 3.786 . 0 0 "[ . 1 . 2 .]" 1
358 2 41 LEU HA 2 43 HIS H 4.248 . 5.098 3.336 3.113 3.779 . 0 0 "[ . 1 . 2 .]" 1
359 1 41 LEU HA 1 42 SER H 2.777 . 3.427 2.606 2.471 2.864 . 0 0 "[ . 1 . 2 .]" 1
360 2 41 LEU HA 2 42 SER H 2.777 . 3.427 2.607 2.471 2.854 . 0 0 "[ . 1 . 2 .]" 1
361 1 30 LYS H 1 30 LYS HA 2.878 . 3.528 2.753 2.699 2.800 . 0 0 "[ . 1 . 2 .]" 1
362 2 30 LYS H 2 30 LYS HA 2.878 . 3.528 2.753 2.698 2.800 . 0 0 "[ . 1 . 2 .]" 1
363 1 83 THR H 1 83 THR MG 4.215 . 5.058 2.764 2.030 3.714 . 0 0 "[ . 1 . 2 .]" 1
364 2 83 THR H 2 83 THR MG 4.215 . 5.058 2.767 2.040 3.710 . 0 0 "[ . 1 . 2 .]" 1
365 1 12 ILE H 1 12 ILE QG 2.863 . 3.513 2.646 2.093 3.185 . 0 0 "[ . 1 . 2 .]" 1
366 2 12 ILE H 2 12 ILE QG 2.863 . 3.513 2.640 2.097 3.217 . 0 0 "[ . 1 . 2 .]" 1
367 1 11 LEU H 1 12 ILE QG 4.517 . 5.420 4.344 3.731 4.801 . 0 0 "[ . 1 . 2 .]" 1
368 2 11 LEU H 2 12 ILE QG 4.517 . 5.420 4.337 3.724 4.801 . 0 0 "[ . 1 . 2 .]" 1
369 1 31 SER H 1 32 GLU H 3.316 . 3.980 2.752 2.453 2.993 . 0 0 "[ . 1 . 2 .]" 1
370 2 31 SER H 2 32 GLU H 3.316 . 3.980 2.750 2.446 2.987 . 0 0 "[ . 1 . 2 .]" 1
371 1 71 PHE H 1 72 GLN H 3.483 . 4.180 3.620 3.090 3.906 . 0 0 "[ . 1 . 2 .]" 1
372 2 71 PHE H 2 72 GLN H 3.483 . 4.180 3.625 3.093 3.893 . 0 0 "[ . 1 . 2 .]" 1
373 1 26 HIS H 1 27 LYS H 3.262 . 3.789 3.057 2.804 3.297 . 0 0 "[ . 1 . 2 .]" 1
374 2 26 HIS H 2 27 LYS H 3.262 . 3.789 3.055 2.794 3.301 . 0 0 "[ . 1 . 2 .]" 1
375 1 51 GLN H 1 52 GLU H 3.370 . 3.813 3.088 2.661 3.564 . 0 0 "[ . 1 . 2 .]" 1
376 2 51 GLN H 2 52 GLU H 3.370 . 3.813 3.086 2.663 3.562 . 0 0 "[ . 1 . 2 .]" 1
377 1 52 GLU H 1 54 VAL H 4.791 . 5.096 4.319 4.020 4.582 . 0 0 "[ . 1 . 2 .]" 1
378 2 52 GLU H 2 54 VAL H 4.791 . 5.096 4.319 4.002 4.566 . 0 0 "[ . 1 . 2 .]" 1
379 1 52 GLU H 1 53 VAL H 3.341 . 3.636 2.934 2.691 3.148 . 0 0 "[ . 1 . 2 .]" 1
380 2 52 GLU H 2 53 VAL H 3.341 . 3.636 2.933 2.687 3.139 . 0 0 "[ . 1 . 2 .]" 1
381 1 40 GLU H 1 41 LEU H 3.025 . 3.657 2.097 1.880 2.636 . 0 0 "[ . 1 . 2 .]" 1
382 2 40 GLU H 2 41 LEU H 3.025 . 3.657 2.093 1.879 2.632 . 0 0 "[ . 1 . 2 .]" 1
383 1 39 ASN H 1 40 GLU H 3.081 . 3.731 2.446 2.285 2.622 . 0 0 "[ . 1 . 2 .]" 1
384 2 39 ASN H 2 40 GLU H 3.081 . 3.731 2.446 2.291 2.622 . 0 0 "[ . 1 . 2 .]" 1
385 1 40 GLU H 1 42 SER H . . 4.498 4.497 4.194 4.605 0.107 22 0 "[ . 1 . 2 .]" 1
386 2 40 GLU H 2 42 SER H . . 4.498 4.497 4.218 4.603 0.104 22 0 "[ . 1 . 2 .]" 1
387 1 4 LEU H 1 5 GLU H 3.407 . 4.089 2.835 2.428 3.336 . 0 0 "[ . 1 . 2 .]" 1
388 2 4 LEU H 2 5 GLU H 3.407 . 4.089 2.836 2.425 3.355 . 0 0 "[ . 1 . 2 .]" 1
389 1 28 LEU H 1 29 LYS H 4.027 . 4.833 4.449 4.174 4.627 . 0 0 "[ . 1 . 2 .]" 1
390 2 28 LEU H 2 29 LYS H 4.027 . 4.833 4.449 4.175 4.631 . 0 0 "[ . 1 . 2 .]" 1
391 1 27 LYS H 1 28 LEU H 4.125 . 4.950 4.327 3.926 4.429 . 0 0 "[ . 1 . 2 .]" 1
392 2 27 LYS H 2 28 LEU H 4.125 . 4.950 4.326 3.922 4.429 . 0 0 "[ . 1 . 2 .]" 1
393 1 78 VAL H 1 79 ALA H 2.450 . 3.100 2.781 2.563 2.914 . 0 0 "[ . 1 . 2 .]" 1
394 2 78 VAL H 2 79 ALA H 2.450 . 3.100 2.780 2.571 2.898 . 0 0 "[ . 1 . 2 .]" 1
395 1 79 ALA H 1 80 MET H 2.394 . 3.044 2.570 2.378 2.798 . 0 0 "[ . 1 . 2 .]" 1
396 2 79 ALA H 2 80 MET H 2.394 . 3.044 2.568 2.382 2.799 . 0 0 "[ . 1 . 2 .]" 1
397 1 9 VAL H 1 10 ALA H 2.853 . 3.472 2.679 2.511 2.850 . 0 0 "[ . 1 . 2 .]" 1
398 2 9 VAL H 2 10 ALA H 2.853 . 3.472 2.678 2.504 2.854 . 0 0 "[ . 1 . 2 .]" 1
399 1 36 LEU H 1 37 ILE H 3.111 . 3.426 2.870 2.610 3.144 . 0 0 "[ . 1 . 2 .]" 1
400 2 36 LEU H 2 37 ILE H 3.111 . 3.426 2.875 2.617 3.187 . 0 0 "[ . 1 . 2 .]" 1
401 1 11 LEU H 1 12 ILE H 2.391 . 3.041 2.725 2.443 2.904 . 0 0 "[ . 1 . 2 .]" 1
402 2 11 LEU H 2 12 ILE H 2.391 . 3.041 2.727 2.447 2.905 . 0 0 "[ . 1 . 2 .]" 1
403 1 35 GLU H 1 37 ILE H 3.798 . 4.558 4.262 4.059 4.625 0.067 21 0 "[ . 1 . 2 .]" 1
404 2 35 GLU H 2 37 ILE H 3.798 . 4.558 4.262 4.070 4.626 0.068 21 0 "[ . 1 . 2 .]" 1
405 1 37 ILE H 1 38 ASN H . . 3.109 2.422 2.262 2.715 . 0 0 "[ . 1 . 2 .]" 1
406 2 37 ILE H 2 38 ASN H . . 3.109 2.423 2.254 2.709 . 0 0 "[ . 1 . 2 .]" 1
407 1 74 PHE H 1 76 ALA H 4.028 . 4.834 3.826 3.599 4.083 . 0 0 "[ . 1 . 2 .]" 1
408 2 74 PHE H 2 76 ALA H 4.028 . 4.834 3.827 3.626 4.087 . 0 0 "[ . 1 . 2 .]" 1
409 1 55 ASP H 1 56 LYS H 3.177 . 3.827 2.501 2.380 2.612 . 0 0 "[ . 1 . 2 .]" 1
410 2 55 ASP H 2 56 LYS H 3.177 . 3.827 2.502 2.390 2.603 . 0 0 "[ . 1 . 2 .]" 1
411 1 54 VAL H 1 55 ASP H 3.047 . 3.697 2.598 2.312 2.709 . 0 0 "[ . 1 . 2 .]" 1
412 2 54 VAL H 2 55 ASP H 3.047 . 3.697 2.597 2.314 2.710 . 0 0 "[ . 1 . 2 .]" 1
413 1 53 VAL H 1 55 ASP H . . 3.713 3.784 3.739 3.811 0.099 17 0 "[ . 1 . 2 .]" 1
414 2 53 VAL H 2 55 ASP H . . 3.713 3.783 3.748 3.811 0.099 3 0 "[ . 1 . 2 .]" 1
415 1 7 ALA H 1 8 VAL H 2.627 . 3.277 2.485 2.340 2.649 . 0 0 "[ . 1 . 2 .]" 1
416 2 7 ALA H 2 8 VAL H 2.627 . 3.277 2.485 2.340 2.644 . 0 0 "[ . 1 . 2 .]" 1
417 1 74 PHE H 1 75 MET H 2.808 . 3.458 2.862 2.504 3.264 . 0 0 "[ . 1 . 2 .]" 1
418 2 74 PHE H 2 75 MET H 2.808 . 3.458 2.861 2.504 3.266 . 0 0 "[ . 1 . 2 .]" 1
419 1 50 GLU H 1 51 GLN H 3.001 . 3.651 3.615 3.046 3.734 0.083 14 0 "[ . 1 . 2 .]" 1
420 2 50 GLU H 2 51 GLN H 3.001 . 3.651 3.616 3.055 3.736 0.086 14 0 "[ . 1 . 2 .]" 1
421 1 67 GLY H 1 68 GLU H . . 4.007 2.951 2.430 4.076 0.069 24 0 "[ . 1 . 2 .]" 1
422 2 67 GLY H 2 68 GLU H . . 4.007 2.954 2.429 4.081 0.074 24 0 "[ . 1 . 2 .]" 1
423 1 57 VAL H 1 58 MET H 2.672 . 3.196 3.010 2.704 3.194 . 0 0 "[ . 1 . 2 .]" 1
424 2 57 VAL H 2 58 MET H 2.672 . 3.196 3.009 2.698 3.194 . 0 0 "[ . 1 . 2 .]" 1
425 1 39 ASN H 1 41 LEU H 3.419 . 4.103 3.971 3.442 4.131 0.027 17 0 "[ . 1 . 2 .]" 1
426 2 39 ASN H 2 41 LEU H 3.419 . 4.103 3.967 3.458 4.129 0.026 25 0 "[ . 1 . 2 .]" 1
427 1 72 GLN H 1 73 GLU H 2.473 . 3.123 2.762 2.407 3.021 . 0 0 "[ . 1 . 2 .]" 1
428 2 72 GLN H 2 73 GLU H 2.473 . 3.123 2.764 2.408 3.032 . 0 0 "[ . 1 . 2 .]" 1
429 1 23 GLY H 1 24 ASP H 3.401 . 4.081 3.069 1.874 4.172 0.091 3 0 "[ . 1 . 2 .]" 1
430 2 23 GLY H 2 24 ASP H 3.401 . 4.081 3.069 1.884 4.173 0.092 3 0 "[ . 1 . 2 .]" 1
431 1 32 GLU H 1 33 LEU H 2.861 . 3.503 2.656 2.564 2.769 . 0 0 "[ . 1 . 2 .]" 1
432 2 32 GLU H 2 33 LEU H 2.861 . 3.503 2.652 2.562 2.768 . 0 0 "[ . 1 . 2 .]" 1
433 1 12 ILE H 1 13 ASP H 3.194 . 3.844 2.675 2.359 2.959 . 0 0 "[ . 1 . 2 .]" 1
434 2 12 ILE H 2 13 ASP H 3.194 . 3.844 2.676 2.368 2.955 . 0 0 "[ . 1 . 2 .]" 1
435 1 33 LEU H 1 34 LYS H 3.201 . 3.851 2.872 2.620 3.084 . 0 0 "[ . 1 . 2 .]" 1
436 2 33 LEU H 2 34 LYS H 3.201 . 3.851 2.871 2.614 3.088 . 0 0 "[ . 1 . 2 .]" 1
437 1 33 LEU H 1 35 GLU H 4.356 . 5.227 4.430 4.058 4.699 . 0 0 "[ . 1 . 2 .]" 1
438 2 33 LEU H 2 35 GLU H 4.356 . 5.227 4.429 4.045 4.701 . 0 0 "[ . 1 . 2 .]" 1
439 1 38 ASN H 1 39 ASN H 3.226 . 3.781 2.551 2.296 2.915 . 0 0 "[ . 1 . 2 .]" 1
440 2 38 ASN H 2 39 ASN H 3.226 . 3.781 2.550 2.293 2.912 . 0 0 "[ . 1 . 2 .]" 1
441 1 31 SER H 1 33 LEU H 4.250 . 5.101 3.883 3.611 4.420 . 0 0 "[ . 1 . 2 .]" 1
442 2 31 SER H 2 33 LEU H 4.250 . 5.101 3.882 3.610 4.375 . 0 0 "[ . 1 . 2 .]" 1
443 1 39 ASN H 1 39 ASN QD 4.013 . 4.816 3.762 1.998 4.333 . 0 0 "[ . 1 . 2 .]" 1
444 2 39 ASN H 2 39 ASN QD 4.013 . 4.816 3.761 1.988 4.330 . 0 0 "[ . 1 . 2 .]" 1
445 1 17 GLN H 1 18 TYR H 3.274 . 3.688 2.786 2.463 3.010 . 0 0 "[ . 1 . 2 .]" 1
446 2 17 GLN H 2 18 TYR H 3.274 . 3.688 2.791 2.454 3.033 . 0 0 "[ . 1 . 2 .]" 1
447 1 81 ILE H 1 82 THR H 3.163 . 3.236 2.753 2.447 3.028 . 0 0 "[ . 1 . 2 .]" 1
448 2 81 ILE H 2 82 THR H 3.163 . 3.236 2.749 2.447 3.022 . 0 0 "[ . 1 . 2 .]" 1
449 1 82 THR H 1 83 THR H 3.571 . 4.285 2.907 2.667 3.076 . 0 0 "[ . 1 . 2 .]" 1
450 2 82 THR H 2 83 THR H 3.571 . 4.285 2.899 2.666 3.061 . 0 0 "[ . 1 . 2 .]" 1
451 1 76 ALA H 1 77 PHE H 2.854 . 3.504 2.911 2.660 3.148 . 0 0 "[ . 1 . 2 .]" 1
452 2 76 ALA H 2 77 PHE H 2.854 . 3.504 2.910 2.656 3.156 . 0 0 "[ . 1 . 2 .]" 1
453 1 42 SER H 1 45 LEU H 4.139 . 4.967 5.005 4.787 5.104 0.137 12 0 "[ . 1 . 2 .]" 1
454 2 42 SER H 2 45 LEU H 4.139 . 4.967 5.005 4.784 5.103 0.136 12 0 "[ . 1 . 2 .]" 1
455 1 45 LEU H 1 46 GLU H 3.050 . 3.700 2.663 2.601 2.766 . 0 0 "[ . 1 . 2 .]" 1
456 2 45 LEU H 2 46 GLU H 3.050 . 3.700 2.666 2.598 2.778 . 0 0 "[ . 1 . 2 .]" 1
457 1 10 ALA H 1 11 LEU H 2.919 . 3.569 2.603 2.302 2.916 . 0 0 "[ . 1 . 2 .]" 1
458 2 10 ALA H 2 11 LEU H 2.919 . 3.569 2.600 2.295 2.913 . 0 0 "[ . 1 . 2 .]" 1
459 1 56 LYS H 1 57 VAL H 3.381 . 3.517 2.756 2.456 2.887 . 0 0 "[ . 1 . 2 .]" 1
460 2 56 LYS H 2 57 VAL H 3.381 . 3.517 2.755 2.454 2.888 . 0 0 "[ . 1 . 2 .]" 1
461 1 32 GLU H 1 34 LYS H 4.181 . 5.017 4.431 3.914 4.998 . 0 0 "[ . 1 . 2 .]" 1
462 2 32 GLU H 2 34 LYS H 4.181 . 5.017 4.426 3.922 4.998 . 0 0 "[ . 1 . 2 .]" 1
463 1 20 GLY H 1 21 ARG H 3.096 . 3.746 2.596 1.906 3.509 . 0 0 "[ . 1 . 2 .]" 1
464 2 20 GLY H 2 21 ARG H 3.096 . 3.746 2.598 1.915 3.514 . 0 0 "[ . 1 . 2 .]" 1
465 1 64 ASP H 1 65 GLY H 3.877 . 4.343 3.904 2.820 4.523 0.179 15 0 "[ . 1 . 2 .]" 1
466 2 64 ASP H 2 65 GLY H 3.877 . 4.343 4.000 2.822 4.637 0.294 4 0 "[ . 1 . 2 .]" 1
467 1 59 GLU H 1 60 THR H 3.307 . 3.968 2.832 2.616 3.174 . 0 0 "[ . 1 . 2 .]" 1
468 2 59 GLU H 2 60 THR H 3.307 . 3.968 2.833 2.618 3.177 . 0 0 "[ . 1 . 2 .]" 1
469 1 6 LYS H 1 7 ALA H 2.883 . 3.533 2.604 2.348 2.871 . 0 0 "[ . 1 . 2 .]" 1
470 2 6 LYS H 2 7 ALA H 2.883 . 3.533 2.600 2.349 2.855 . 0 0 "[ . 1 . 2 .]" 1
471 1 75 MET H 1 76 ALA H 2.756 . 3.297 2.561 2.246 2.717 . 0 0 "[ . 1 . 2 .]" 1
472 2 75 MET H 2 76 ALA H 2.756 . 3.297 2.560 2.244 2.716 . 0 0 "[ . 1 . 2 .]" 1
473 1 54 VAL H 1 56 LYS H 3.314 . 3.977 4.080 4.034 4.120 0.143 12 0 "[ . 1 . 2 .]" 1
474 2 54 VAL H 2 56 LYS H 3.314 . 3.977 4.081 4.036 4.124 0.147 12 0 "[ . 1 . 2 .]" 1
475 1 62 ASP H 1 63 SER H 2.634 . 3.284 2.572 2.268 3.036 . 0 0 "[ . 1 . 2 .]" 1
476 2 62 ASP H 2 63 SER H 2.634 . 3.284 2.561 2.273 3.056 . 0 0 "[ . 1 . 2 .]" 1
477 1 56 LYS H 1 58 MET H 4.393 . 5.271 4.027 3.750 4.525 . 0 0 "[ . 1 . 2 .]" 1
478 2 56 LYS H 2 58 MET H 4.393 . 5.271 4.027 3.748 4.526 . 0 0 "[ . 1 . 2 .]" 1
479 1 41 LEU H 1 42 SER H 3.080 . 3.725 3.530 3.220 3.726 0.001 10 0 "[ . 1 . 2 .]" 1
480 2 41 LEU H 2 42 SER H 3.080 . 3.725 3.529 3.226 3.711 . 0 0 "[ . 1 . 2 .]" 1
481 1 63 SER H 1 64 ASP H 3.247 . 3.897 2.567 2.289 2.768 . 0 0 "[ . 1 . 2 .]" 1
482 2 63 SER H 2 64 ASP H 3.247 . 3.897 2.588 2.290 2.854 . 0 0 "[ . 1 . 2 .]" 1
483 1 21 ARG H 1 22 GLU H 3.355 . 4.026 2.340 1.918 3.871 . 0 0 "[ . 1 . 2 .]" 1
484 2 21 ARG H 2 22 GLU H 3.355 . 4.026 2.339 1.913 3.870 . 0 0 "[ . 1 . 2 .]" 1
485 1 22 GLU H 1 23 GLY H 3.283 . 3.940 2.425 1.771 4.016 0.076 11 0 "[ . 1 . 2 .]" 1
486 2 22 GLU H 2 23 GLY H 3.283 . 3.940 2.426 1.788 4.018 0.078 11 0 "[ . 1 . 2 .]" 1
487 1 8 VAL H 1 10 ALA H 4.198 . 5.037 3.840 3.618 4.065 . 0 0 "[ . 1 . 2 .]" 1
488 2 8 VAL H 2 10 ALA H 4.198 . 5.037 3.841 3.614 4.073 . 0 0 "[ . 1 . 2 .]" 1
489 1 46 GLU H 1 47 GLU H 2.289 . 2.939 2.247 2.133 2.575 . 0 0 "[ . 1 . 2 .]" 1
490 2 46 GLU H 2 47 GLU H 2.289 . 2.939 2.248 2.142 2.577 . 0 0 "[ . 1 . 2 .]" 1
491 1 45 LEU H 1 47 GLU H 3.625 . 4.350 3.755 3.414 4.003 . 0 0 "[ . 1 . 2 .]" 1
492 2 45 LEU H 2 47 GLU H 3.625 . 4.350 3.759 3.418 4.011 . 0 0 "[ . 1 . 2 .]" 1
493 1 76 ALA H 1 78 VAL H 3.263 . 4.115 4.100 3.908 4.161 0.046 21 0 "[ . 1 . 2 .]" 1
494 2 76 ALA H 2 78 VAL H 3.263 . 4.115 4.101 3.913 4.165 0.050 10 0 "[ . 1 . 2 .]" 1
495 1 84 ALA H 1 85 CYS H . . 3.300 2.492 2.190 2.905 . 0 0 "[ . 1 . 2 .]" 1
496 2 84 ALA H 2 85 CYS H . . 3.300 2.498 2.194 2.900 . 0 0 "[ . 1 . 2 .]" 1
497 1 77 PHE H 1 77 PHE QD 3.835 . 4.602 4.053 3.834 4.131 . 0 0 "[ . 1 . 2 .]" 1
498 2 77 PHE H 2 77 PHE QD 3.835 . 4.602 4.053 3.837 4.134 . 0 0 "[ . 1 . 2 .]" 1
499 1 62 ASP H 1 64 ASP H 3.676 . 4.412 4.322 3.684 4.694 0.283 21 0 "[ . 1 . 2 .]" 1
500 2 62 ASP H 2 64 ASP H 3.676 . 4.412 4.336 3.689 4.695 0.283 21 0 "[ . 1 . 2 .]" 1
501 1 83 THR H 1 84 ALA H 3.965 . 4.758 2.555 2.335 2.779 . 0 0 "[ . 1 . 2 .]" 1
502 2 83 THR H 2 84 ALA H 3.965 . 4.758 2.556 2.335 2.780 . 0 0 "[ . 1 . 2 .]" 1
503 1 51 GLN H 1 53 VAL H 4.117 . 4.941 4.088 3.592 4.472 . 0 0 "[ . 1 . 2 .]" 1
504 2 51 GLN H 2 53 VAL H 4.117 . 4.941 4.086 3.594 4.459 . 0 0 "[ . 1 . 2 .]" 1
505 1 44 PHE H 1 44 PHE QD 4.336 . 5.203 3.046 1.912 3.701 . 0 0 "[ . 1 . 2 .]" 1
506 2 44 PHE H 2 44 PHE QD 4.336 . 5.203 3.044 1.909 3.690 . 0 0 "[ . 1 . 2 .]" 1
507 1 53 VAL H 1 54 VAL H 3.277 . 3.406 2.500 2.388 2.710 . 0 0 "[ . 1 . 2 .]" 1
508 2 53 VAL H 2 54 VAL H 3.277 . 3.406 2.500 2.382 2.704 . 0 0 "[ . 1 . 2 .]" 1
509 1 71 PHE H 1 71 PHE QD 3.993 . 4.791 2.254 1.633 3.156 . 0 0 "[ . 1 . 2 .]" 1
510 2 71 PHE H 2 71 PHE QD 3.993 . 4.791 2.252 1.637 3.125 . 0 0 "[ . 1 . 2 .]" 1
511 1 30 LYS H 1 32 GLU H 4.841 . 5.809 4.693 4.332 4.932 . 0 0 "[ . 1 . 2 .]" 1
512 2 30 LYS H 2 32 GLU H 4.841 . 5.809 4.691 4.324 4.941 . 0 0 "[ . 1 . 2 .]" 1
513 1 35 GLU H 1 36 LEU H 3.113 . 3.411 2.820 2.633 3.008 . 0 0 "[ . 1 . 2 .]" 1
514 2 35 GLU H 2 36 LEU H 3.113 . 3.411 2.824 2.635 3.044 . 0 0 "[ . 1 . 2 .]" 1
515 1 74 PHE H 1 74 PHE QD 3.592 . 4.311 3.964 3.601 4.170 . 0 0 "[ . 1 . 2 .]" 1
516 2 74 PHE H 2 74 PHE QD 3.592 . 4.311 3.963 3.595 4.173 . 0 0 "[ . 1 . 2 .]" 1
517 1 70 ASP HA 1 71 PHE H 3.342 . 4.010 2.442 2.091 2.638 . 0 0 "[ . 1 . 2 .]" 1
518 2 70 ASP HA 2 71 PHE H 3.342 . 4.010 2.443 2.100 2.631 . 0 0 "[ . 1 . 2 .]" 1
519 1 27 LYS HA 1 28 LEU H 2.659 . 3.309 2.432 2.218 2.640 . 0 0 "[ . 1 . 2 .]" 1
520 2 27 LYS HA 2 28 LEU H 2.659 . 3.309 2.432 2.221 2.639 . 0 0 "[ . 1 . 2 .]" 1
521 1 68 GLU HA 1 69 CYS H 2.235 . 2.885 2.379 2.204 2.700 . 0 0 "[ . 1 . 2 .]" 1
522 2 68 GLU HA 2 69 CYS H 2.235 . 2.885 2.378 2.201 2.686 . 0 0 "[ . 1 . 2 .]" 1
523 1 64 ASP HA 1 65 GLY H 3.069 . 3.719 2.666 2.218 3.591 . 0 0 "[ . 1 . 2 .]" 1
524 2 64 ASP HA 2 65 GLY H 3.069 . 3.719 2.742 2.219 3.596 . 0 0 "[ . 1 . 2 .]" 1
525 1 26 HIS HA 1 27 LYS H 3.680 . 4.416 2.655 2.616 2.694 . 0 0 "[ . 1 . 2 .]" 1
526 2 26 HIS HA 2 27 LYS H 3.680 . 4.416 2.656 2.611 2.698 . 0 0 "[ . 1 . 2 .]" 1
527 1 66 ASP H 1 66 ASP HA 2.760 . 3.410 2.540 2.317 3.000 . 0 0 "[ . 1 . 2 .]" 1
528 2 66 ASP H 2 66 ASP HA 2.760 . 3.410 2.541 2.338 2.999 . 0 0 "[ . 1 . 2 .]" 1
529 1 29 LYS H 1 29 LYS HA 2.639 . 3.289 2.984 2.951 3.004 . 0 0 "[ . 1 . 2 .]" 1
530 2 29 LYS H 2 29 LYS HA 2.639 . 3.289 2.985 2.952 3.005 . 0 0 "[ . 1 . 2 .]" 1
531 1 50 GLU HA 1 51 GLN H 2.725 . 3.375 2.354 2.266 2.624 . 0 0 "[ . 1 . 2 .]" 1
532 2 50 GLU HA 2 51 GLN H 2.725 . 3.375 2.354 2.267 2.621 . 0 0 "[ . 1 . 2 .]" 1
533 1 39 ASN HA 1 40 GLU H 3.829 . 4.594 3.439 3.361 3.576 . 0 0 "[ . 1 . 2 .]" 1
534 2 39 ASN HA 2 40 GLU H 3.829 . 4.594 3.439 3.360 3.576 . 0 0 "[ . 1 . 2 .]" 1
535 1 60 THR H 1 60 THR HB 2.798 . 3.448 2.373 2.164 2.934 . 0 0 "[ . 1 . 2 .]" 1
536 2 60 THR H 2 60 THR HB 2.798 . 3.448 2.373 2.162 2.939 . 0 0 "[ . 1 . 2 .]" 1
537 1 22 GLU HA 1 23 GLY H 2.823 . 3.473 3.401 2.173 3.572 0.099 14 0 "[ . 1 . 2 .]" 1
538 2 22 GLU HA 2 23 GLY H 2.823 . 3.473 3.401 2.175 3.570 0.097 14 0 "[ . 1 . 2 .]" 1
539 1 24 ASP HA 1 25 LYS H 3.011 . 3.661 2.610 2.290 2.861 . 0 0 "[ . 1 . 2 .]" 1
540 2 24 ASP HA 2 25 LYS H 3.011 . 3.661 2.610 2.288 2.863 . 0 0 "[ . 1 . 2 .]" 1
541 1 60 THR HB 1 61 LEU H 3.521 . 4.225 2.426 2.143 2.684 . 0 0 "[ . 1 . 2 .]" 1
542 2 60 THR HB 2 61 LEU H 3.521 . 4.225 2.429 2.137 2.692 . 0 0 "[ . 1 . 2 .]" 1
543 1 84 ALA HA 1 85 CYS H 4.377 . 5.252 3.440 3.144 3.592 . 0 0 "[ . 1 . 2 .]" 1
544 2 84 ALA HA 2 85 CYS H 4.377 . 5.252 3.440 3.148 3.591 . 0 0 "[ . 1 . 2 .]" 1
545 1 49 LYS HA 1 50 GLU H 3.227 . 3.877 3.453 3.361 3.498 . 0 0 "[ . 1 . 2 .]" 1
546 2 49 LYS HA 2 50 GLU H 3.227 . 3.877 3.453 3.364 3.500 . 0 0 "[ . 1 . 2 .]" 1
547 1 74 PHE H 1 74 PHE HA 2.723 . 3.372 2.827 2.711 2.891 . 0 0 "[ . 1 . 2 .]" 1
548 2 74 PHE H 2 74 PHE HA 2.723 . 3.372 2.827 2.708 2.895 . 0 0 "[ . 1 . 2 .]" 1
549 1 74 PHE HA 1 75 MET H 3.478 . 4.173 3.578 3.520 3.618 . 0 0 "[ . 1 . 2 .]" 1
550 2 74 PHE HA 2 75 MET H 3.478 . 4.173 3.578 3.517 3.617 . 0 0 "[ . 1 . 2 .]" 1
551 1 32 GLU HA 1 35 GLU H 3.395 . 4.075 3.567 3.144 3.989 . 0 0 "[ . 1 . 2 .]" 1
552 2 32 GLU HA 2 35 GLU H 3.395 . 4.075 3.565 3.137 3.987 . 0 0 "[ . 1 . 2 .]" 1
553 1 63 SER H 1 63 SER HA 2.957 . 3.607 2.927 2.775 2.971 . 0 0 "[ . 1 . 2 .]" 1
554 2 63 SER H 2 63 SER HA 2.957 . 3.607 2.926 2.779 2.968 . 0 0 "[ . 1 . 2 .]" 1
555 1 7 ALA H 1 7 ALA HA 2.912 . 3.562 2.891 2.851 2.940 . 0 0 "[ . 1 . 2 .]" 1
556 2 7 ALA H 2 7 ALA HA 2.912 . 3.562 2.892 2.852 2.937 . 0 0 "[ . 1 . 2 .]" 1
557 1 77 PHE HA 1 78 VAL H 2.954 . 3.604 3.596 3.573 3.616 0.012 16 0 "[ . 1 . 2 .]" 1
558 2 77 PHE HA 2 78 VAL H 2.954 . 3.604 3.595 3.574 3.614 0.010 16 0 "[ . 1 . 2 .]" 1
559 1 77 PHE H 1 77 PHE HA 2.842 . 3.492 2.848 2.739 2.916 . 0 0 "[ . 1 . 2 .]" 1
560 2 77 PHE H 2 77 PHE HA 2.842 . 3.492 2.848 2.737 2.913 . 0 0 "[ . 1 . 2 .]" 1
561 1 7 ALA HA 1 8 VAL H 3.413 . 4.095 3.530 3.475 3.585 . 0 0 "[ . 1 . 2 .]" 1
562 2 7 ALA HA 2 8 VAL H 3.413 . 4.095 3.531 3.473 3.585 . 0 0 "[ . 1 . 2 .]" 1
563 1 77 PHE HA 1 80 MET H 3.073 . 3.723 2.879 2.672 3.197 . 0 0 "[ . 1 . 2 .]" 1
564 2 77 PHE HA 2 80 MET H 3.073 . 3.723 2.879 2.686 3.172 . 0 0 "[ . 1 . 2 .]" 1
565 1 82 THR HB 1 83 THR H 3.211 . 3.861 2.747 2.416 3.056 . 0 0 "[ . 1 . 2 .]" 1
566 2 82 THR HB 2 83 THR H 3.211 . 3.861 2.753 2.408 3.057 . 0 0 "[ . 1 . 2 .]" 1
567 1 2 SER QB 1 3 GLU H 3.434 . 4.121 3.305 2.220 3.743 . 0 0 "[ . 1 . 2 .]" 1
568 2 2 SER QB 2 3 GLU H 3.434 . 4.121 3.305 2.215 3.746 . 0 0 "[ . 1 . 2 .]" 1
569 1 55 ASP H 1 55 ASP HA 2.662 . 3.312 2.906 2.881 2.934 . 0 0 "[ . 1 . 2 .]" 1
570 2 55 ASP H 2 55 ASP HA 2.662 . 3.312 2.906 2.886 2.932 . 0 0 "[ . 1 . 2 .]" 1
571 1 46 GLU H 1 46 GLU HA 2.618 . 3.268 2.945 2.854 2.963 . 0 0 "[ . 1 . 2 .]" 1
572 2 46 GLU H 2 46 GLU HA 2.618 . 3.268 2.945 2.852 2.962 . 0 0 "[ . 1 . 2 .]" 1
573 1 38 ASN HA 1 39 ASN H 3.849 . 4.619 3.480 3.315 3.560 . 0 0 "[ . 1 . 2 .]" 1
574 2 38 ASN HA 2 39 ASN H 3.849 . 4.619 3.481 3.321 3.559 . 0 0 "[ . 1 . 2 .]" 1
575 1 31 SER HA 1 32 GLU H 6.544 2.618 7.853 3.595 3.576 3.616 . 0 0 "[ . 1 . 2 .]" 1
576 2 31 SER HA 2 32 GLU H 6.544 2.618 7.853 3.595 3.577 3.617 . 0 0 "[ . 1 . 2 .]" 1
577 1 31 SER HA 1 34 LYS H 3.960 . 4.752 3.685 3.276 4.149 . 0 0 "[ . 1 . 2 .]" 1
578 2 31 SER HA 2 34 LYS H 3.960 . 4.752 3.682 3.276 4.145 . 0 0 "[ . 1 . 2 .]" 1
579 1 56 LYS HA 1 57 VAL H 2.920 . 3.570 3.574 3.480 3.590 0.020 2 0 "[ . 1 . 2 .]" 1
580 2 56 LYS HA 2 57 VAL H 2.920 . 3.570 3.573 3.475 3.591 0.020 2 0 "[ . 1 . 2 .]" 1
581 1 11 LEU HA 1 14 VAL H 2.931 . 3.581 2.973 2.534 3.388 . 0 0 "[ . 1 . 2 .]" 1
582 2 11 LEU HA 2 14 VAL H 2.931 . 3.581 2.972 2.528 3.390 . 0 0 "[ . 1 . 2 .]" 1
583 1 56 LYS H 1 56 LYS HA 2.473 . 3.123 2.918 2.901 2.946 . 0 0 "[ . 1 . 2 .]" 1
584 2 56 LYS H 2 56 LYS HA 2.473 . 3.123 2.918 2.901 2.948 . 0 0 "[ . 1 . 2 .]" 1
585 1 67 GLY QA 1 68 GLU H 2.757 . 3.407 2.679 2.153 2.947 . 0 0 "[ . 1 . 2 .]" 1
586 2 67 GLY QA 2 68 GLU H 2.757 . 3.407 2.679 2.153 2.944 . 0 0 "[ . 1 . 2 .]" 1
587 1 11 LEU HA 1 15 PHE H 3.570 . 4.284 3.708 2.535 4.378 0.094 12 0 "[ . 1 . 2 .]" 1
588 2 11 LEU HA 2 15 PHE H 3.570 . 4.284 3.714 2.543 4.371 0.088 12 0 "[ . 1 . 2 .]" 1
589 1 52 GLU HA 1 55 ASP H 3.377 . 4.052 3.606 3.393 3.770 . 0 0 "[ . 1 . 2 .]" 1
590 2 52 GLU HA 2 55 ASP H 3.377 . 4.052 3.608 3.396 3.776 . 0 0 "[ . 1 . 2 .]" 1
591 1 11 LEU H 1 11 LEU HA 2.740 . 3.390 2.861 2.783 2.930 . 0 0 "[ . 1 . 2 .]" 1
592 2 11 LEU H 2 11 LEU HA 2.740 . 3.390 2.860 2.782 2.930 . 0 0 "[ . 1 . 2 .]" 1
593 1 52 GLU H 1 52 GLU HA 2.836 . 3.486 2.772 2.710 2.851 . 0 0 "[ . 1 . 2 .]" 1
594 2 52 GLU H 2 52 GLU HA 2.836 . 3.486 2.772 2.712 2.853 . 0 0 "[ . 1 . 2 .]" 1
595 1 58 MET H 1 58 MET HA 2.970 . 3.620 2.912 2.849 2.952 . 0 0 "[ . 1 . 2 .]" 1
596 2 58 MET H 2 58 MET HA 2.970 . 3.620 2.912 2.850 2.950 . 0 0 "[ . 1 . 2 .]" 1
597 1 59 GLU H 1 59 GLU HA 2.661 . 3.311 2.826 2.758 2.880 . 0 0 "[ . 1 . 2 .]" 1
598 2 59 GLU H 2 59 GLU HA 2.661 . 3.311 2.826 2.757 2.881 . 0 0 "[ . 1 . 2 .]" 1
599 1 4 LEU HA 1 7 ALA H 3.446 . 4.135 3.448 2.939 4.027 . 0 0 "[ . 1 . 2 .]" 1
600 2 4 LEU HA 2 7 ALA H 3.446 . 4.135 3.447 2.938 4.034 . 0 0 "[ . 1 . 2 .]" 1
601 1 3 GLU H 1 3 GLU HA 2.836 . 3.486 2.748 2.675 2.780 . 0 0 "[ . 1 . 2 .]" 1
602 2 3 GLU H 2 3 GLU HA 2.836 . 3.486 2.748 2.675 2.780 . 0 0 "[ . 1 . 2 .]" 1
603 1 60 THR H 1 60 THR HA 2.785 . 2.898 2.915 2.801 2.956 0.059 12 0 "[ . 1 . 2 .]" 1
604 2 60 THR H 2 60 THR HA 2.785 . 2.898 2.916 2.803 2.956 0.058 12 0 "[ . 1 . 2 .]" 1
605 1 35 GLU H 1 35 GLU HA 2.923 . 3.573 2.818 2.789 2.868 . 0 0 "[ . 1 . 2 .]" 1
606 2 35 GLU H 2 35 GLU HA 2.923 . 3.573 2.818 2.788 2.868 . 0 0 "[ . 1 . 2 .]" 1
607 1 35 GLU HA 1 38 ASN H 3.560 . 4.272 3.351 3.131 3.667 . 0 0 "[ . 1 . 2 .]" 1
608 2 35 GLU HA 2 38 ASN H 3.560 . 4.272 3.350 3.149 3.663 . 0 0 "[ . 1 . 2 .]" 1
609 1 63 SER H 1 63 SER QB 2.626 . 3.276 2.602 1.925 2.936 . 0 0 "[ . 1 . 2 .]" 1
610 2 63 SER H 2 63 SER QB 2.626 . 3.276 2.602 1.925 2.933 . 0 0 "[ . 1 . 2 .]" 1
611 1 89 PHE H 1 89 PHE HA 2.764 . 3.414 2.722 2.325 2.999 . 0 0 "[ . 1 . 2 .]" 1
612 2 89 PHE H 2 89 PHE HA 2.764 . 3.414 2.724 2.326 3.001 . 0 0 "[ . 1 . 2 .]" 1
613 1 48 ILE HA 1 49 LYS H 2.831 . 3.481 3.517 3.469 3.555 0.074 22 0 "[ . 1 . 2 .]" 1
614 2 48 ILE HA 2 49 LYS H 2.831 . 3.481 3.517 3.473 3.555 0.074 22 0 "[ . 1 . 2 .]" 1
615 1 73 GLU H 1 73 GLU HA 2.755 . 3.405 2.901 2.739 2.946 . 0 0 "[ . 1 . 2 .]" 1
616 2 73 GLU H 2 73 GLU HA 2.755 . 3.405 2.900 2.742 2.945 . 0 0 "[ . 1 . 2 .]" 1
617 1 73 GLU HA 1 74 PHE H 3.258 . 3.909 3.590 3.533 3.639 . 0 0 "[ . 1 . 2 .]" 1
618 2 73 GLU HA 2 74 PHE H 3.258 . 3.909 3.591 3.532 3.639 . 0 0 "[ . 1 . 2 .]" 1
619 1 33 LEU HA 1 34 LYS H 3.505 . 4.206 3.588 3.555 3.614 . 0 0 "[ . 1 . 2 .]" 1
620 2 33 LEU HA 2 34 LYS H 3.505 . 4.206 3.589 3.555 3.615 . 0 0 "[ . 1 . 2 .]" 1
621 1 48 ILE HA 1 50 GLU H 2.955 . 3.805 3.485 3.340 3.612 . 0 0 "[ . 1 . 2 .]" 1
622 2 48 ILE HA 2 50 GLU H 2.955 . 3.805 3.483 3.338 3.615 . 0 0 "[ . 1 . 2 .]" 1
623 1 89 PHE HA 1 90 GLU H 2.790 . 3.440 2.842 2.187 3.551 0.111 22 0 "[ . 1 . 2 .]" 1
624 2 89 PHE HA 2 90 GLU H 2.790 . 3.440 2.840 2.184 3.552 0.112 22 0 "[ . 1 . 2 .]" 1
625 1 79 ALA HA 1 82 THR H 3.294 . 3.952 3.644 3.120 3.926 . 0 0 "[ . 1 . 2 .]" 1
626 2 79 ALA HA 2 82 THR H 3.294 . 3.952 3.641 3.129 3.920 . 0 0 "[ . 1 . 2 .]" 1
627 1 83 THR H 1 83 THR HB 3.856 . 4.627 3.387 2.662 3.645 . 0 0 "[ . 1 . 2 .]" 1
628 2 83 THR H 2 83 THR HB 3.856 . 4.627 3.383 2.646 3.641 . 0 0 "[ . 1 . 2 .]" 1
629 1 65 GLY H 1 65 GLY QA 2.592 . 3.242 2.278 2.224 2.522 . 0 0 "[ . 1 . 2 .]" 1
630 2 65 GLY H 2 65 GLY QA 2.592 . 3.242 2.279 2.226 2.522 . 0 0 "[ . 1 . 2 .]" 1
631 1 6 LYS HA 1 9 VAL H 3.839 . 4.607 3.328 3.018 3.502 . 0 0 "[ . 1 . 2 .]" 1
632 2 6 LYS HA 2 9 VAL H 3.839 . 4.607 3.332 3.018 3.500 . 0 0 "[ . 1 . 2 .]" 1
633 1 80 MET H 1 80 MET HA 2.793 . 3.443 2.847 2.771 2.904 . 0 0 "[ . 1 . 2 .]" 1
634 2 80 MET H 2 80 MET HA 2.793 . 3.443 2.847 2.779 2.903 . 0 0 "[ . 1 . 2 .]" 1
635 1 80 MET HA 1 81 ILE H 3.340 . 4.008 3.535 3.486 3.565 . 0 0 "[ . 1 . 2 .]" 1
636 2 80 MET HA 2 81 ILE H 3.340 . 4.008 3.534 3.486 3.564 . 0 0 "[ . 1 . 2 .]" 1
637 1 65 GLY QA 1 66 ASP H 2.615 . 3.265 2.726 2.275 2.942 . 0 0 "[ . 1 . 2 .]" 1
638 2 65 GLY QA 2 66 ASP H 2.615 . 3.265 2.755 2.270 2.943 . 0 0 "[ . 1 . 2 .]" 1
639 1 23 GLY QA 1 24 ASP H 3.009 . 3.659 2.474 2.160 2.900 . 0 0 "[ . 1 . 2 .]" 1
640 2 23 GLY QA 2 24 ASP H 3.009 . 3.659 2.473 2.161 2.903 . 0 0 "[ . 1 . 2 .]" 1
641 1 17 GLN H 1 17 GLN HA 2.706 . 3.356 2.922 2.865 2.968 . 0 0 "[ . 1 . 2 .]" 1
642 2 17 GLN H 2 17 GLN HA 2.706 . 3.356 2.921 2.855 2.966 . 0 0 "[ . 1 . 2 .]" 1
643 1 14 VAL H 1 14 VAL HA 2.870 . 3.520 2.859 2.779 2.896 . 0 0 "[ . 1 . 2 .]" 1
644 2 14 VAL H 2 14 VAL HA 2.870 . 3.520 2.859 2.780 2.901 . 0 0 "[ . 1 . 2 .]" 1
645 1 14 VAL HA 1 15 PHE H 3.298 . 3.957 3.626 3.595 3.653 . 0 0 "[ . 1 . 2 .]" 1
646 2 14 VAL HA 2 15 PHE H 3.298 . 3.957 3.629 3.595 3.699 . 0 0 "[ . 1 . 2 .]" 1
647 1 8 VAL HA 1 11 LEU H 3.382 . 4.058 3.212 2.842 3.520 . 0 0 "[ . 1 . 2 .]" 1
648 2 8 VAL HA 2 11 LEU H 3.382 . 4.058 3.214 2.856 3.522 . 0 0 "[ . 1 . 2 .]" 1
649 1 51 GLN HA 1 51 GLN QE 4.318 . 5.182 3.704 2.363 4.533 . 0 0 "[ . 1 . 2 .]" 1
650 2 51 GLN HA 2 51 GLN QE 4.318 . 5.182 3.706 2.366 4.537 . 0 0 "[ . 1 . 2 .]" 1
651 1 26 HIS H 1 26 HIS QB 3.175 . 3.825 2.492 2.240 2.785 . 0 0 "[ . 1 . 2 .]" 1
652 2 26 HIS H 2 26 HIS QB 3.175 . 3.825 2.493 2.241 2.787 . 0 0 "[ . 1 . 2 .]" 1
653 1 53 VAL HA 1 56 LYS H 3.461 . 4.153 2.775 2.497 3.031 . 0 0 "[ . 1 . 2 .]" 1
654 2 53 VAL HA 2 56 LYS H 3.461 . 4.153 2.773 2.511 3.015 . 0 0 "[ . 1 . 2 .]" 1
655 1 53 VAL H 1 53 VAL HA 2.726 . 3.376 2.912 2.878 2.930 . 0 0 "[ . 1 . 2 .]" 1
656 2 53 VAL H 2 53 VAL HA 2.726 . 3.376 2.912 2.878 2.931 . 0 0 "[ . 1 . 2 .]" 1
657 1 57 VAL HA 1 60 THR H 3.717 . 4.460 4.054 3.784 4.453 . 0 0 "[ . 1 . 2 .]" 1
658 2 57 VAL HA 2 60 THR H 3.717 . 4.460 4.056 3.782 4.456 . 0 0 "[ . 1 . 2 .]" 1
659 1 57 VAL HA 1 58 MET H 4.199 . 5.039 3.576 3.520 3.604 . 0 0 "[ . 1 . 2 .]" 1
660 2 57 VAL HA 2 58 MET H 4.199 . 5.039 3.575 3.524 3.604 . 0 0 "[ . 1 . 2 .]" 1
661 1 82 THR HA 1 85 CYS H 3.989 . 4.787 3.602 3.324 4.090 . 0 0 "[ . 1 . 2 .]" 1
662 2 82 THR HA 2 85 CYS H 3.989 . 4.787 3.602 3.333 4.100 . 0 0 "[ . 1 . 2 .]" 1
663 1 81 ILE HA 1 84 ALA H 3.758 . 4.510 3.492 3.034 4.209 . 0 0 "[ . 1 . 2 .]" 1
664 2 81 ILE HA 2 84 ALA H 3.758 . 4.510 3.492 3.042 4.212 . 0 0 "[ . 1 . 2 .]" 1
665 1 70 ASP H 1 70 ASP HB2 3.497 . 4.196 2.484 2.100 3.845 . 0 0 "[ . 1 . 2 .]" 1
666 2 70 ASP H 2 70 ASP HB2 3.497 . 4.196 2.484 2.100 3.843 . 0 0 "[ . 1 . 2 .]" 1
667 1 70 ASP HB3 1 71 PHE H 2.885 . 3.935 2.687 2.082 3.965 0.030 24 0 "[ . 1 . 2 .]" 1
668 2 70 ASP HB3 2 71 PHE H 2.885 . 3.935 2.686 2.087 3.985 0.051 24 0 "[ . 1 . 2 .]" 1
669 1 9 VAL HA 1 10 ALA H 3.921 . 4.705 3.514 3.446 3.554 . 0 0 "[ . 1 . 2 .]" 1
670 2 9 VAL HA 2 10 ALA H 3.921 . 4.705 3.514 3.443 3.555 . 0 0 "[ . 1 . 2 .]" 1
671 1 9 VAL H 1 9 VAL HA 2.588 . 3.238 2.831 2.768 2.892 . 0 0 "[ . 1 . 2 .]" 1
672 2 9 VAL H 2 9 VAL HA 2.588 . 3.238 2.832 2.767 2.895 . 0 0 "[ . 1 . 2 .]" 1
673 1 15 PHE H 1 15 PHE HA 2.903 . 3.553 2.797 2.763 2.857 . 0 0 "[ . 1 . 2 .]" 1
674 2 15 PHE H 2 15 PHE HA 2.903 . 3.553 2.798 2.765 2.856 . 0 0 "[ . 1 . 2 .]" 1
675 1 34 LYS HA 1 35 GLU H 3.617 . 4.340 3.593 3.558 3.604 . 0 0 "[ . 1 . 2 .]" 1
676 2 34 LYS HA 2 35 GLU H 3.617 . 4.340 3.593 3.558 3.611 . 0 0 "[ . 1 . 2 .]" 1
677 1 72 GLN HA 1 73 GLU H 3.433 . 4.119 3.465 3.357 3.597 . 0 0 "[ . 1 . 2 .]" 1
678 2 72 GLN HA 2 73 GLU H 3.433 . 4.119 3.467 3.358 3.595 . 0 0 "[ . 1 . 2 .]" 1
679 1 72 GLN H 1 72 GLN HA 2.543 . 3.193 2.852 2.747 2.969 . 0 0 "[ . 1 . 2 .]" 1
680 2 72 GLN H 2 72 GLN HA 2.543 . 3.193 2.851 2.753 2.969 . 0 0 "[ . 1 . 2 .]" 1
681 1 36 LEU HA 1 39 ASN H 4.074 . 4.888 3.867 3.524 4.259 . 0 0 "[ . 1 . 2 .]" 1
682 2 36 LEU HA 2 39 ASN H 4.074 . 4.888 3.867 3.527 4.268 . 0 0 "[ . 1 . 2 .]" 1
683 1 44 PHE QB 1 45 LEU H 3.314 . 3.977 3.092 2.934 3.543 . 0 0 "[ . 1 . 2 .]" 1
684 2 44 PHE QB 2 45 LEU H 3.314 . 3.977 3.090 2.929 3.540 . 0 0 "[ . 1 . 2 .]" 1
685 1 5 GLU HA 1 7 ALA H 4.820 . 5.784 4.311 3.567 4.996 . 0 0 "[ . 1 . 2 .]" 1
686 2 5 GLU HA 2 7 ALA H 4.820 . 5.784 4.305 3.565 4.990 . 0 0 "[ . 1 . 2 .]" 1
687 1 5 GLU HA 1 8 VAL H 3.807 . 4.569 3.255 3.033 3.539 . 0 0 "[ . 1 . 2 .]" 1
688 2 5 GLU HA 2 8 VAL H 3.807 . 4.569 3.250 3.018 3.533 . 0 0 "[ . 1 . 2 .]" 1
689 1 54 VAL HA 1 58 MET H 3.590 . 4.308 3.589 3.326 4.083 . 0 0 "[ . 1 . 2 .]" 1
690 2 54 VAL HA 2 58 MET H 3.590 . 4.308 3.589 3.338 4.077 . 0 0 "[ . 1 . 2 .]" 1
691 1 54 VAL HA 1 56 LYS H 4.515 . 5.418 4.452 4.316 4.550 . 0 0 "[ . 1 . 2 .]" 1
692 2 54 VAL HA 2 56 LYS H 4.515 . 5.418 4.452 4.320 4.547 . 0 0 "[ . 1 . 2 .]" 1
693 1 54 VAL HA 1 55 ASP H 3.889 . 4.667 3.496 3.462 3.517 . 0 0 "[ . 1 . 2 .]" 1
694 2 54 VAL HA 2 55 ASP H 3.889 . 4.667 3.496 3.461 3.519 . 0 0 "[ . 1 . 2 .]" 1
695 1 83 THR HA 1 84 ALA H 4.023 . 4.828 3.478 3.098 3.595 . 0 0 "[ . 1 . 2 .]" 1
696 2 83 THR HA 2 84 ALA H 4.023 . 4.828 3.478 3.096 3.591 . 0 0 "[ . 1 . 2 .]" 1
697 1 89 PHE QB 1 90 GLU H . . 4.102 2.819 1.732 3.891 . 0 0 "[ . 1 . 2 .]" 1
698 2 89 PHE QB 2 90 GLU H . . 4.102 2.822 1.751 3.891 . 0 0 "[ . 1 . 2 .]" 1
699 1 89 PHE H 1 89 PHE QB 2.949 . 3.588 2.447 1.967 3.268 . 0 0 "[ . 1 . 2 .]" 1
700 2 89 PHE H 2 89 PHE QB 2.949 . 3.588 2.444 1.990 3.268 . 0 0 "[ . 1 . 2 .]" 1
701 1 26 HIS QB 1 27 LYS H 4.430 . 5.316 3.921 3.893 4.036 . 0 0 "[ . 1 . 2 .]" 1
702 2 26 HIS QB 2 27 LYS H 4.430 . 5.316 3.921 3.887 4.040 . 0 0 "[ . 1 . 2 .]" 1
703 1 78 VAL HA 1 81 ILE H 3.703 . 4.444 3.552 3.190 4.436 . 0 0 "[ . 1 . 2 .]" 1
704 2 78 VAL HA 2 81 ILE H 3.703 . 4.444 3.553 3.195 4.418 . 0 0 "[ . 1 . 2 .]" 1
705 1 78 VAL HA 1 79 ALA H 3.363 . 4.035 3.529 3.466 3.588 . 0 0 "[ . 1 . 2 .]" 1
706 2 78 VAL HA 2 79 ALA H 3.363 . 4.035 3.528 3.463 3.579 . 0 0 "[ . 1 . 2 .]" 1
707 1 37 ILE HA 1 38 ASN H 3.176 . 3.826 3.546 3.448 3.597 . 0 0 "[ . 1 . 2 .]" 1
708 2 37 ILE HA 2 38 ASN H 3.176 . 3.826 3.546 3.448 3.599 . 0 0 "[ . 1 . 2 .]" 1
709 1 75 MET H 1 75 MET HA 2.691 . 3.341 2.875 2.824 2.951 . 0 0 "[ . 1 . 2 .]" 1
710 2 75 MET H 2 75 MET HA 2.691 . 3.341 2.876 2.829 2.952 . 0 0 "[ . 1 . 2 .]" 1
711 1 15 PHE H 1 15 PHE HB2 2.516 . 3.166 2.160 2.052 2.292 . 0 0 "[ . 1 . 2 .]" 1
712 2 15 PHE H 2 15 PHE HB2 2.516 . 3.166 2.169 2.044 2.375 . 0 0 "[ . 1 . 2 .]" 1
713 1 21 ARG H 1 21 ARG QD 4.218 . 5.062 3.753 2.786 4.098 . 0 0 "[ . 1 . 2 .]" 1
714 2 21 ARG H 2 21 ARG QD 4.218 . 5.062 3.753 2.794 4.100 . 0 0 "[ . 1 . 2 .]" 1
715 1 39 ASN H 1 39 ASN QB 2.907 . 3.508 2.069 1.928 2.245 . 0 0 "[ . 1 . 2 .]" 1
716 2 39 ASN H 2 39 ASN QB 2.907 . 3.508 2.069 1.927 2.247 . 0 0 "[ . 1 . 2 .]" 1
717 1 77 PHE H 1 77 PHE QB 2.652 . 3.302 2.114 2.017 2.196 . 0 0 "[ . 1 . 2 .]" 1
718 2 77 PHE H 2 77 PHE QB 2.652 . 3.302 2.114 2.022 2.195 . 0 0 "[ . 1 . 2 .]" 1
719 1 39 ASN QB 1 40 GLU H 3.173 . 3.490 2.954 2.265 3.211 . 0 0 "[ . 1 . 2 .]" 1
720 2 39 ASN QB 2 40 GLU H 3.173 . 3.490 2.953 2.260 3.212 . 0 0 "[ . 1 . 2 .]" 1
721 1 69 CYS H 1 69 CYS QB 3.595 . 3.907 2.313 1.996 2.613 . 0 0 "[ . 1 . 2 .]" 1
722 2 69 CYS H 2 69 CYS QB 3.595 . 3.907 2.313 1.996 2.606 . 0 0 "[ . 1 . 2 .]" 1
723 1 29 LYS H 1 29 LYS QE 5.177 2.071 6.212 4.596 2.371 5.595 . 0 0 "[ . 1 . 2 .]" 1
724 2 29 LYS H 2 29 LYS QE 5.177 2.071 6.212 4.595 2.348 5.596 . 0 0 "[ . 1 . 2 .]" 1
725 1 85 CYS H 1 85 CYS QB 3.543 . 4.252 2.152 1.982 2.371 . 0 0 "[ . 1 . 2 .]" 1
726 2 85 CYS H 2 85 CYS QB 3.543 . 4.252 2.153 1.979 2.372 . 0 0 "[ . 1 . 2 .]" 1
727 1 58 MET H 1 58 MET QG 2.964 . 3.614 2.264 1.857 2.700 . 0 0 "[ . 1 . 2 .]" 1
728 2 58 MET H 2 58 MET QG 2.964 . 3.614 2.265 1.858 2.698 . 0 0 "[ . 1 . 2 .]" 1
729 1 66 ASP H 1 66 ASP QB 3.314 . 3.520 2.615 2.017 3.067 . 0 0 "[ . 1 . 2 .]" 1
730 2 66 ASP H 2 66 ASP QB 3.314 . 3.520 2.605 2.016 3.027 . 0 0 "[ . 1 . 2 .]" 1
731 1 66 ASP QB 1 67 GLY H 4.496 . 5.016 3.711 2.212 4.077 . 0 0 "[ . 1 . 2 .]" 1
732 2 66 ASP QB 2 67 GLY H 4.496 . 5.016 3.712 2.213 4.077 . 0 0 "[ . 1 . 2 .]" 1
733 1 70 ASP H 1 70 ASP HB3 3.021 . 3.671 3.256 2.154 3.827 0.157 11 0 "[ . 1 . 2 .]" 1
734 2 70 ASP H 2 70 ASP HB3 3.021 . 3.671 3.256 2.153 3.825 0.154 11 0 "[ . 1 . 2 .]" 1
735 1 70 ASP HB2 1 71 PHE H 2.981 . 3.731 3.548 2.464 4.049 0.318 22 0 "[ . 1 . 2 .]" 1
736 2 70 ASP HB2 2 71 PHE H 2.981 . 3.731 3.549 2.462 4.035 0.304 22 0 "[ . 1 . 2 .]" 1
737 1 38 ASN H 1 38 ASN QB 2.694 . 3.444 2.266 1.916 2.574 . 0 0 "[ . 1 . 2 .]" 1
738 2 38 ASN H 2 38 ASN QB 2.694 . 3.444 2.267 1.916 2.574 . 0 0 "[ . 1 . 2 .]" 1
739 1 24 ASP H 1 24 ASP QB 3.067 . 3.717 2.530 1.930 3.332 . 0 0 "[ . 1 . 2 .]" 1
740 2 24 ASP H 2 24 ASP QB 3.067 . 3.717 2.530 1.929 3.336 . 0 0 "[ . 1 . 2 .]" 1
741 1 55 ASP QB 1 56 LYS H 2.773 . 3.423 2.583 2.491 2.737 . 0 0 "[ . 1 . 2 .]" 1
742 2 55 ASP QB 2 56 LYS H 2.773 . 3.423 2.584 2.490 2.736 . 0 0 "[ . 1 . 2 .]" 1
743 1 55 ASP H 1 55 ASP QB 2.600 . 3.550 2.029 1.996 2.053 . 0 0 "[ . 1 . 2 .]" 1
744 2 55 ASP H 2 55 ASP QB 2.600 . 3.550 2.030 1.997 2.056 . 0 0 "[ . 1 . 2 .]" 1
745 1 62 ASP H 1 62 ASP QB 2.541 . 3.191 2.067 1.913 2.236 . 0 0 "[ . 1 . 2 .]" 1
746 2 62 ASP H 2 62 ASP QB 2.541 . 3.191 2.070 1.911 2.234 . 0 0 "[ . 1 . 2 .]" 1
747 1 18 TYR H 1 18 TYR QB 2.712 . 3.362 2.211 2.063 2.417 . 0 0 "[ . 1 . 2 .]" 1
748 2 18 TYR H 2 18 TYR QB 2.712 . 3.362 2.209 2.066 2.411 . 0 0 "[ . 1 . 2 .]" 1
749 1 62 ASP QB 1 63 SER H 3.034 . 3.684 2.765 2.260 3.416 . 0 0 "[ . 1 . 2 .]" 1
750 2 62 ASP QB 2 63 SER H 3.034 . 3.684 2.757 2.198 3.421 . 0 0 "[ . 1 . 2 .]" 1
751 1 11 LEU H 1 11 LEU QB 2.437 . 2.980 2.508 2.168 2.862 . 0 0 "[ . 1 . 2 .]" 1
752 2 11 LEU H 2 11 LEU QB 2.437 . 2.980 2.507 2.165 2.860 . 0 0 "[ . 1 . 2 .]" 1
753 1 30 LYS H 1 30 LYS QE . 2.279 4.735 3.711 1.852 4.743 0.427 7 0 "[ . 1 . 2 .]" 1
754 2 30 LYS H 2 30 LYS QE . 2.279 4.735 3.712 1.857 4.745 0.422 7 0 "[ . 1 . 2 .]" 1
755 1 32 GLU H 1 32 GLU HB3 2.997 . 3.647 3.482 3.193 3.556 . 0 0 "[ . 1 . 2 .]" 1
756 2 32 GLU H 2 32 GLU HB3 2.997 . 3.647 3.483 3.196 3.554 . 0 0 "[ . 1 . 2 .]" 1
757 1 64 ASP H 1 64 ASP QB 2.935 . 3.585 2.607 1.922 3.181 . 0 0 "[ . 1 . 2 .]" 1
758 2 64 ASP H 2 64 ASP QB 2.935 . 3.585 2.640 1.924 3.180 . 0 0 "[ . 1 . 2 .]" 1
759 1 64 ASP QB 1 65 GLY H 3.811 . 4.573 3.377 1.811 4.066 . 0 0 "[ . 1 . 2 .]" 1
760 2 64 ASP QB 2 65 GLY H 3.811 . 4.573 3.160 1.813 4.064 . 0 0 "[ . 1 . 2 .]" 1
761 1 17 GLN H 1 17 GLN QB 2.148 . 2.798 2.268 1.980 2.558 . 0 0 "[ . 1 . 2 .]" 1
762 2 17 GLN H 2 17 GLN QB 2.148 . 2.798 2.268 1.955 2.575 . 0 0 "[ . 1 . 2 .]" 1
763 1 17 GLN QB 1 18 TYR H 3.322 . 3.986 1.941 1.796 2.757 . 0 0 "[ . 1 . 2 .]" 1
764 2 17 GLN QB 2 18 TYR H 3.322 . 3.986 1.942 1.788 2.779 . 0 0 "[ . 1 . 2 .]" 1
765 1 40 GLU QB 1 41 LEU H 4.004 . 4.805 2.787 2.116 3.329 . 0 0 "[ . 1 . 2 .]" 1
766 2 40 GLU QB 2 41 LEU H 4.004 . 4.805 2.792 2.112 3.329 . 0 0 "[ . 1 . 2 .]" 1
767 1 80 MET QG 1 81 ILE H 5.985 2.394 7.182 4.206 3.356 4.583 . 0 0 "[ . 1 . 2 .]" 1
768 2 80 MET QG 2 81 ILE H 5.985 2.394 7.182 4.206 3.359 4.583 . 0 0 "[ . 1 . 2 .]" 1
769 1 51 GLN H 1 51 GLN QG 2.954 . 3.604 2.458 1.812 3.225 . 0 0 "[ . 1 . 2 .]" 1
770 2 51 GLN H 2 51 GLN QG 2.954 . 3.604 2.458 1.815 3.224 . 0 0 "[ . 1 . 2 .]" 1
771 1 32 GLU H 1 32 GLU HB2 2.748 . 3.398 2.377 1.953 2.726 . 0 0 "[ . 1 . 2 .]" 1
772 2 32 GLU H 2 32 GLU HB2 2.748 . 3.398 2.377 1.955 2.725 . 0 0 "[ . 1 . 2 .]" 1
773 1 68 GLU HB3 1 69 CYS H 4.086 . 4.903 4.357 3.447 4.694 . 0 0 "[ . 1 . 2 .]" 1
774 2 68 GLU HB3 2 69 CYS H 4.086 . 4.903 4.357 3.456 4.699 . 0 0 "[ . 1 . 2 .]" 1
775 1 8 VAL H 1 8 VAL HB 2.655 . 3.605 1.923 1.868 2.115 . 0 0 "[ . 1 . 2 .]" 1
776 2 8 VAL H 2 8 VAL HB 2.655 . 3.605 1.924 1.866 2.114 . 0 0 "[ . 1 . 2 .]" 1
777 1 73 GLU H 1 73 GLU QB 2.439 . 3.089 2.541 2.070 2.691 . 0 0 "[ . 1 . 2 .]" 1
778 2 73 GLU H 2 73 GLU QB 2.439 . 3.089 2.544 2.067 2.686 . 0 0 "[ . 1 . 2 .]" 1
779 1 57 VAL H 1 57 VAL HB 2.419 . 3.069 2.374 2.206 2.602 . 0 0 "[ . 1 . 2 .]" 1
780 2 57 VAL H 2 57 VAL HB 2.419 . 3.069 2.374 2.203 2.601 . 0 0 "[ . 1 . 2 .]" 1
781 1 73 GLU HB2 1 74 PHE H 1.957 . 2.607 2.474 2.026 2.783 0.176 7 0 "[ . 1 . 2 .]" 1
782 2 73 GLU HB2 2 74 PHE H 1.957 . 2.607 2.475 2.041 2.780 0.174 7 0 "[ . 1 . 2 .]" 1
783 1 58 MET H 1 58 MET QB 2.496 . 3.196 2.282 2.124 2.486 . 0 0 "[ . 1 . 2 .]" 1
784 2 58 MET H 2 58 MET QB 2.496 . 3.196 2.281 2.124 2.483 . 0 0 "[ . 1 . 2 .]" 1
785 1 30 LYS QB 1 31 SER H 3.065 . 3.508 2.644 2.065 2.972 . 0 0 "[ . 1 . 2 .]" 1
786 2 30 LYS QB 2 31 SER H 3.065 . 3.508 2.646 2.082 2.964 . 0 0 "[ . 1 . 2 .]" 1
787 1 5 GLU H 1 5 GLU HB2 3.087 . 3.737 2.655 1.980 3.600 . 0 0 "[ . 1 . 2 .]" 1
788 2 5 GLU H 2 5 GLU HB2 3.087 . 3.737 2.659 1.983 3.601 . 0 0 "[ . 1 . 2 .]" 1
789 1 35 GLU H 1 35 GLU QB 2.245 . 2.895 2.013 1.928 2.511 . 0 0 "[ . 1 . 2 .]" 1
790 2 35 GLU H 2 35 GLU QB 2.245 . 2.895 2.014 1.926 2.513 . 0 0 "[ . 1 . 2 .]" 1
791 1 9 VAL HB 1 10 ALA H 3.115 . 3.765 2.758 2.455 3.016 . 0 0 "[ . 1 . 2 .]" 1
792 2 9 VAL HB 2 10 ALA H 3.115 . 3.765 2.759 2.454 3.063 . 0 0 "[ . 1 . 2 .]" 1
793 1 9 VAL H 1 9 VAL HB 2.257 . 2.907 2.252 2.021 2.509 . 0 0 "[ . 1 . 2 .]" 1
794 2 9 VAL H 2 9 VAL HB 2.257 . 2.907 2.252 2.027 2.511 . 0 0 "[ . 1 . 2 .]" 1
795 1 14 VAL H 1 14 VAL HB 2.501 . 3.151 2.506 2.240 3.454 0.303 21 0 "[ . 1 . 2 .]" 1
796 2 14 VAL H 2 14 VAL HB 2.501 . 3.151 2.508 2.238 3.457 0.306 21 0 "[ . 1 . 2 .]" 1
797 1 14 VAL HB 1 15 PHE H 2.678 . 3.328 2.227 1.952 3.466 0.138 21 0 "[ . 1 . 2 .]" 1
798 2 14 VAL HB 2 15 PHE H 2.678 . 3.328 2.234 1.957 3.467 0.139 21 0 "[ . 1 . 2 .]" 1
799 1 46 GLU QB 1 47 GLU H 2.683 . 3.333 2.820 2.700 3.070 . 0 0 "[ . 1 . 2 .]" 1
800 2 46 GLU QB 2 47 GLU H 2.683 . 3.333 2.819 2.694 3.071 . 0 0 "[ . 1 . 2 .]" 1
801 1 46 GLU H 1 46 GLU QB 2.513 . 3.163 1.960 1.879 2.076 . 0 0 "[ . 1 . 2 .]" 1
802 2 46 GLU H 2 46 GLU QB 2.513 . 3.163 1.961 1.875 2.080 . 0 0 "[ . 1 . 2 .]" 1
803 1 92 GLU H 1 92 GLU QB . . 3.819 2.575 2.030 3.267 . 0 0 "[ . 1 . 2 .]" 1
804 2 92 GLU H 2 92 GLU QB . . 3.819 2.576 2.032 3.270 . 0 0 "[ . 1 . 2 .]" 1
805 1 50 GLU H 1 50 GLU QB 2.817 . 3.467 3.161 3.034 3.248 . 0 0 "[ . 1 . 2 .]" 1
806 2 50 GLU H 2 50 GLU QB 2.817 . 3.467 3.162 3.036 3.245 . 0 0 "[ . 1 . 2 .]" 1
807 1 90 GLU H 1 90 GLU QB 3.092 . 3.652 2.486 1.969 3.230 . 0 0 "[ . 1 . 2 .]" 1
808 2 90 GLU H 2 90 GLU QB 3.092 . 3.652 2.485 1.968 3.228 . 0 0 "[ . 1 . 2 .]" 1
809 1 22 GLU H 1 22 GLU QB 2.804 . 3.454 2.648 2.290 3.271 . 0 0 "[ . 1 . 2 .]" 1
810 2 22 GLU H 2 22 GLU QB 2.804 . 3.454 2.649 2.290 3.273 . 0 0 "[ . 1 . 2 .]" 1
811 1 51 GLN H 1 51 GLN QB 2.599 . 3.249 2.203 1.924 2.724 . 0 0 "[ . 1 . 2 .]" 1
812 2 51 GLN H 2 51 GLN QB 2.599 . 3.249 2.204 1.930 2.726 . 0 0 "[ . 1 . 2 .]" 1
813 1 54 VAL HB 1 55 ASP H 2.816 . 3.466 2.729 2.596 2.943 . 0 0 "[ . 1 . 2 .]" 1
814 2 54 VAL HB 2 55 ASP H 2.816 . 3.466 2.730 2.584 2.958 . 0 0 "[ . 1 . 2 .]" 1
815 1 59 GLU H 1 59 GLU QB 2.103 . 2.753 2.039 1.925 2.146 . 0 0 "[ . 1 . 2 .]" 1
816 2 59 GLU H 2 59 GLU QB 2.103 . 2.753 2.039 1.927 2.150 . 0 0 "[ . 1 . 2 .]" 1
817 1 22 GLU QB 1 23 GLY H 3.141 . 3.791 2.458 1.845 3.589 . 0 0 "[ . 1 . 2 .]" 1
818 2 22 GLU QB 2 23 GLY H 3.141 . 3.791 2.458 1.844 3.597 . 0 0 "[ . 1 . 2 .]" 1
819 1 33 LEU H 1 33 LEU QB 2.192 . 2.842 2.031 1.918 2.178 . 0 0 "[ . 1 . 2 .]" 1
820 2 33 LEU H 2 33 LEU QB 2.192 . 2.842 2.031 1.921 2.178 . 0 0 "[ . 1 . 2 .]" 1
821 1 51 GLN QB 1 51 GLN QE 3.180 . 3.830 2.329 1.866 2.896 . 0 0 "[ . 1 . 2 .]" 1
822 2 51 GLN QB 2 51 GLN QE 3.180 . 3.830 2.329 1.864 2.896 . 0 0 "[ . 1 . 2 .]" 1
823 1 17 GLN QB 1 17 GLN QE 3.082 . 3.732 2.364 1.839 2.880 . 0 0 "[ . 1 . 2 .]" 1
824 2 17 GLN QB 2 17 GLN QE 3.082 . 3.732 2.365 1.839 2.870 . 0 0 "[ . 1 . 2 .]" 1
825 1 3 GLU H 1 3 GLU QB 2.944 . 3.594 2.253 1.967 2.536 . 0 0 "[ . 1 . 2 .]" 1
826 2 3 GLU H 2 3 GLU QB 2.944 . 3.594 2.251 1.968 2.527 . 0 0 "[ . 1 . 2 .]" 1
827 1 11 LEU H 1 11 LEU HG 2.740 . 3.390 2.093 1.738 3.443 0.053 9 0 "[ . 1 . 2 .]" 1
828 2 11 LEU H 2 11 LEU HG 2.740 . 3.390 2.092 1.714 3.442 0.053 9 0 "[ . 1 . 2 .]" 1
829 1 53 VAL H 1 53 VAL HB 2.398 . 3.048 2.478 2.178 2.920 . 0 0 "[ . 1 . 2 .]" 1
830 2 53 VAL H 2 53 VAL HB 2.398 . 3.048 2.478 2.180 2.924 . 0 0 "[ . 1 . 2 .]" 1
831 1 32 GLU H 1 32 GLU QG 3.245 . 3.895 2.285 1.803 3.420 . 0 0 "[ . 1 . 2 .]" 1
832 2 32 GLU H 2 32 GLU QG 3.245 . 3.895 2.285 1.798 3.406 . 0 0 "[ . 1 . 2 .]" 1
833 1 81 ILE H 1 81 ILE HB 2.370 . 3.020 2.595 2.341 3.031 0.011 9 0 "[ . 1 . 2 .]" 1
834 2 81 ILE H 2 81 ILE HB 2.370 . 3.020 2.593 2.341 3.027 0.007 9 0 "[ . 1 . 2 .]" 1
835 1 52 GLU H 1 52 GLU QB 2.295 . 2.945 2.191 2.162 2.229 . 0 0 "[ . 1 . 2 .]" 1
836 2 52 GLU H 2 52 GLU QB 2.295 . 2.945 2.192 2.164 2.230 . 0 0 "[ . 1 . 2 .]" 1
837 1 81 ILE HB 1 82 THR H 3.260 . 3.912 1.911 1.768 2.189 . 0 0 "[ . 1 . 2 .]" 1
838 2 81 ILE HB 2 82 THR H 3.260 . 3.912 1.913 1.762 2.165 . 0 0 "[ . 1 . 2 .]" 1
839 1 41 LEU QB 1 42 SER H 4.588 . 4.703 3.919 3.858 3.937 . 0 0 "[ . 1 . 2 .]" 1
840 2 41 LEU QB 2 42 SER H 4.588 . 4.703 3.920 3.859 3.939 . 0 0 "[ . 1 . 2 .]" 1
841 1 56 LYS QB 1 57 VAL H 2.541 . 3.191 2.192 1.987 2.857 . 0 0 "[ . 1 . 2 .]" 1
842 2 56 LYS QB 2 57 VAL H 2.541 . 3.191 2.192 1.984 2.864 . 0 0 "[ . 1 . 2 .]" 1
843 1 56 LYS H 1 56 LYS QB 2.387 . 3.037 2.118 2.012 2.495 . 0 0 "[ . 1 . 2 .]" 1
844 2 56 LYS H 2 56 LYS QB 2.387 . 3.037 2.120 2.014 2.495 . 0 0 "[ . 1 . 2 .]" 1
845 1 47 GLU H 1 47 GLU QB 2.450 . 3.100 2.834 2.620 2.903 . 0 0 "[ . 1 . 2 .]" 1
846 2 47 GLU H 2 47 GLU QB 2.450 . 3.100 2.834 2.621 2.903 . 0 0 "[ . 1 . 2 .]" 1
847 1 34 LYS H 1 34 LYS QB 2.502 . 3.152 2.032 1.943 2.203 . 0 0 "[ . 1 . 2 .]" 1
848 2 34 LYS H 2 34 LYS QB 2.502 . 3.152 2.033 1.942 2.212 . 0 0 "[ . 1 . 2 .]" 1
849 1 68 GLU H 1 68 GLU HB2 2.696 . 3.346 3.361 3.009 3.633 0.288 9 0 "[ . 1 . 2 .]" 1
850 2 68 GLU H 2 68 GLU HB2 2.696 . 3.346 3.360 2.989 3.632 0.286 9 0 "[ . 1 . 2 .]" 1
851 1 34 LYS QB 1 35 GLU H 3.283 . 3.803 2.270 2.037 2.576 . 0 0 "[ . 1 . 2 .]" 1
852 2 34 LYS QB 2 35 GLU H 3.283 . 3.803 2.272 2.038 2.569 . 0 0 "[ . 1 . 2 .]" 1
853 1 6 LYS H 1 6 LYS QB 2.396 . 3.046 2.500 2.373 2.597 . 0 0 "[ . 1 . 2 .]" 1
854 2 6 LYS H 2 6 LYS QB 2.396 . 3.046 2.498 2.369 2.592 . 0 0 "[ . 1 . 2 .]" 1
855 1 4 LEU H 1 4 LEU QB 2.612 . 3.262 2.209 1.885 2.591 . 0 0 "[ . 1 . 2 .]" 1
856 2 4 LEU H 2 4 LEU QB 2.612 . 3.262 2.210 1.885 2.594 . 0 0 "[ . 1 . 2 .]" 1
857 1 21 ARG H 1 21 ARG QB 2.542 . 3.192 2.734 2.122 3.044 . 0 0 "[ . 1 . 2 .]" 1
858 2 21 ARG H 2 21 ARG QB 2.542 . 3.192 2.735 2.121 3.046 . 0 0 "[ . 1 . 2 .]" 1
859 1 48 ILE H 1 48 ILE HB 2.565 . 3.215 2.318 2.109 3.013 . 0 0 "[ . 1 . 2 .]" 1
860 2 48 ILE H 2 48 ILE HB 2.565 . 3.215 2.317 2.109 3.016 . 0 0 "[ . 1 . 2 .]" 1
861 1 41 LEU H 1 41 LEU QB 3.407 . 4.088 2.348 1.939 2.666 . 0 0 "[ . 1 . 2 .]" 1
862 2 41 LEU H 2 41 LEU QB 3.407 . 4.088 2.349 1.939 2.666 . 0 0 "[ . 1 . 2 .]" 1
863 1 49 LYS H 1 49 LYS QB 3.418 . 4.102 2.335 1.925 2.931 . 0 0 "[ . 1 . 2 .]" 1
864 2 49 LYS H 2 49 LYS QB 3.418 . 4.102 2.335 1.924 2.934 . 0 0 "[ . 1 . 2 .]" 1
865 1 30 LYS H 1 30 LYS QD 3.296 . 3.955 3.073 1.805 3.733 . 0 0 "[ . 1 . 2 .]" 1
866 2 30 LYS H 2 30 LYS QD 3.296 . 3.955 3.074 1.808 3.737 . 0 0 "[ . 1 . 2 .]" 1
867 1 45 LEU QB 1 46 GLU H 3.412 . 4.095 2.545 2.263 3.111 . 0 0 "[ . 1 . 2 .]" 1
868 2 45 LEU QB 2 46 GLU H 3.412 . 4.095 2.545 2.266 3.107 . 0 0 "[ . 1 . 2 .]" 1
869 1 37 ILE HB 1 38 ASN H 2.869 . 3.519 2.715 2.292 3.543 0.024 21 0 "[ . 1 . 2 .]" 1
870 2 37 ILE HB 2 38 ASN H 2.869 . 3.519 2.716 2.302 3.547 0.028 21 0 "[ . 1 . 2 .]" 1
871 1 45 LEU H 1 45 LEU QB 2.544 . 3.194 2.036 1.824 2.090 . 0 0 "[ . 1 . 2 .]" 1
872 2 45 LEU H 2 45 LEU QB 2.544 . 3.194 2.036 1.824 2.094 . 0 0 "[ . 1 . 2 .]" 1
873 1 7 ALA H 1 7 ALA MB 2.579 . 3.229 2.079 1.952 2.199 . 0 0 "[ . 1 . 2 .]" 1
874 2 7 ALA H 2 7 ALA MB 2.579 . 3.229 2.079 1.951 2.197 . 0 0 "[ . 1 . 2 .]" 1
875 1 61 LEU H 1 61 LEU QB 2.469 . 3.119 2.036 1.911 2.389 . 0 0 "[ . 1 . 2 .]" 1
876 2 61 LEU H 2 61 LEU QB 2.469 . 3.119 2.036 1.911 2.390 . 0 0 "[ . 1 . 2 .]" 1
877 1 7 ALA MB 1 8 VAL H 3.440 . 4.128 2.564 2.304 2.759 . 0 0 "[ . 1 . 2 .]" 1
878 2 7 ALA MB 2 8 VAL H 3.440 . 4.128 2.565 2.304 2.776 . 0 0 "[ . 1 . 2 .]" 1
879 1 40 GLU H 1 40 GLU QB 2.917 . 3.567 2.589 2.166 2.886 . 0 0 "[ . 1 . 2 .]" 1
880 2 40 GLU H 2 40 GLU QB 2.917 . 3.567 2.588 2.181 2.884 . 0 0 "[ . 1 . 2 .]" 1
881 1 78 VAL HB 1 79 ALA H 2.747 . 3.497 3.603 3.469 3.719 0.222 24 0 "[ . 1 . 2 .]" 1
882 2 78 VAL HB 2 79 ALA H 2.747 . 3.497 3.601 3.463 3.732 0.235 24 0 "[ . 1 . 2 .]" 1
883 1 78 VAL H 1 78 VAL HB 2.587 . 3.237 2.177 2.018 2.323 . 0 0 "[ . 1 . 2 .]" 1
884 2 78 VAL H 2 78 VAL HB 2.587 . 3.237 2.175 2.017 2.320 . 0 0 "[ . 1 . 2 .]" 1
885 1 29 LYS H 1 29 LYS QB 2.661 . 3.311 2.443 2.067 2.879 . 0 0 "[ . 1 . 2 .]" 1
886 2 29 LYS H 2 29 LYS QB 2.661 . 3.311 2.444 2.067 2.877 . 0 0 "[ . 1 . 2 .]" 1
887 1 6 LYS H 1 6 LYS QG 3.461 . 4.153 1.882 1.788 2.204 . 0 0 "[ . 1 . 2 .]" 1
888 2 6 LYS H 2 6 LYS QG 3.461 . 4.153 1.885 1.780 2.210 . 0 0 "[ . 1 . 2 .]" 1
889 1 36 LEU H 1 36 LEU QB 2.708 . 3.217 1.981 1.877 2.068 . 0 0 "[ . 1 . 2 .]" 1
890 2 36 LEU H 2 36 LEU QB 2.708 . 3.217 1.980 1.881 2.068 . 0 0 "[ . 1 . 2 .]" 1
891 1 84 ALA H 1 84 ALA MB 3.244 . 3.894 2.131 2.004 2.234 . 0 0 "[ . 1 . 2 .]" 1
892 2 84 ALA H 2 84 ALA MB 3.244 . 3.894 2.128 2.005 2.234 . 0 0 "[ . 1 . 2 .]" 1
893 1 4 LEU H 1 4 LEU HG 3.526 . 4.231 3.171 1.831 4.471 0.239 1 0 "[ . 1 . 2 .]" 1
894 2 4 LEU H 2 4 LEU HG 3.526 . 4.231 3.171 1.834 4.466 0.235 1 0 "[ . 1 . 2 .]" 1
895 1 84 ALA MB 1 85 CYS H 4.183 . 5.019 2.871 2.172 3.496 . 0 0 "[ . 1 . 2 .]" 1
896 2 84 ALA MB 2 85 CYS H 4.183 . 5.019 2.871 2.179 3.503 . 0 0 "[ . 1 . 2 .]" 1
897 1 21 ARG H 1 21 ARG QG 3.872 . 4.646 2.023 1.778 2.955 . 0 0 "[ . 1 . 2 .]" 1
898 2 21 ARG H 2 21 ARG QG 3.872 . 4.646 2.024 1.779 2.967 . 0 0 "[ . 1 . 2 .]" 1
899 1 81 ILE H 1 81 ILE QG 2.776 . 3.426 1.803 1.629 1.945 . 0 0 "[ . 1 . 2 .]" 1
900 2 81 ILE H 2 81 ILE QG 2.776 . 3.426 1.804 1.627 1.952 . 0 0 "[ . 1 . 2 .]" 1
901 1 81 ILE QG 1 82 THR H 2.892 . 3.742 3.431 2.891 3.626 . 0 0 "[ . 1 . 2 .]" 1
902 2 81 ILE QG 2 82 THR H 2.892 . 3.742 3.431 2.893 3.625 . 0 0 "[ . 1 . 2 .]" 1
903 1 56 LYS H 1 56 LYS QG 2.821 . 3.571 3.156 1.970 3.385 . 0 0 "[ . 1 . 2 .]" 1
904 2 56 LYS H 2 56 LYS QG 2.821 . 3.571 3.155 1.957 3.387 . 0 0 "[ . 1 . 2 .]" 1
905 1 49 LYS H 1 49 LYS QD 3.115 . 3.765 2.401 1.793 3.498 . 0 0 "[ . 1 . 2 .]" 1
906 2 49 LYS H 2 49 LYS QD 3.115 . 3.765 2.402 1.793 3.501 . 0 0 "[ . 1 . 2 .]" 1
907 1 30 LYS H 1 30 LYS QG 2.890 . 3.540 1.999 1.718 2.869 . 0 0 "[ . 1 . 2 .]" 1
908 2 30 LYS H 2 30 LYS QG 2.890 . 3.540 2.000 1.722 2.870 . 0 0 "[ . 1 . 2 .]" 1
909 1 28 LEU H 1 28 LEU QB 3.580 . 4.296 2.381 1.998 3.125 . 0 0 "[ . 1 . 2 .]" 1
910 2 28 LEU H 2 28 LEU QB 3.580 . 4.296 2.380 1.995 3.126 . 0 0 "[ . 1 . 2 .]" 1
911 1 41 LEU H 1 41 LEU HG 3.603 . 4.324 2.796 1.845 4.165 . 0 0 "[ . 1 . 2 .]" 1
912 2 41 LEU H 2 41 LEU HG 3.603 . 4.324 2.799 1.839 4.163 . 0 0 "[ . 1 . 2 .]" 1
913 1 41 LEU HG 1 42 SER H 4.392 . 5.271 4.803 4.626 5.177 . 0 0 "[ . 1 . 2 .]" 1
914 2 41 LEU HG 2 42 SER H 4.392 . 5.271 4.803 4.623 5.175 . 0 0 "[ . 1 . 2 .]" 1
915 1 79 ALA MB 1 80 MET H 3.601 . 4.321 2.445 2.080 2.699 . 0 0 "[ . 1 . 2 .]" 1
916 2 79 ALA MB 2 80 MET H 3.601 . 4.321 2.444 2.065 2.693 . 0 0 "[ . 1 . 2 .]" 1
917 1 79 ALA H 1 79 ALA MB 3.218 . 3.868 2.076 1.936 2.175 . 0 0 "[ . 1 . 2 .]" 1
918 2 79 ALA H 2 79 ALA MB 3.218 . 3.868 2.074 1.934 2.180 . 0 0 "[ . 1 . 2 .]" 1
919 1 60 THR H 1 60 THR MG 3.477 . 4.372 3.676 3.516 3.739 . 0 0 "[ . 1 . 2 .]" 1
920 2 60 THR H 2 60 THR MG 3.477 . 4.372 3.676 3.522 3.740 . 0 0 "[ . 1 . 2 .]" 1
921 1 33 LEU QB 1 34 LYS H 2.798 . 3.448 2.308 2.049 2.644 . 0 0 "[ . 1 . 2 .]" 1
922 2 33 LEU QB 2 34 LYS H 2.798 . 3.448 2.309 2.044 2.637 . 0 0 "[ . 1 . 2 .]" 1
923 1 27 LYS H 1 27 LYS QG 4.165 . 4.998 3.946 3.605 4.305 . 0 0 "[ . 1 . 2 .]" 1
924 2 27 LYS H 2 27 LYS QG 4.165 . 4.998 3.947 3.606 4.304 . 0 0 "[ . 1 . 2 .]" 1
925 1 61 LEU QB 1 62 ASP H 3.030 . 3.189 2.651 2.102 3.144 . 0 0 "[ . 1 . 2 .]" 1
926 2 61 LEU QB 2 62 ASP H 3.030 . 3.189 2.657 2.097 3.133 . 0 0 "[ . 1 . 2 .]" 1
927 1 76 ALA H 1 76 ALA MB 2.938 . 3.588 2.036 1.892 2.139 . 0 0 "[ . 1 . 2 .]" 1
928 2 76 ALA H 2 76 ALA MB 2.938 . 3.588 2.035 1.898 2.139 . 0 0 "[ . 1 . 2 .]" 1
929 1 76 ALA MB 1 77 PHE H 3.380 . 4.056 2.095 1.866 2.282 . 0 0 "[ . 1 . 2 .]" 1
930 2 76 ALA MB 2 77 PHE H 3.380 . 4.056 2.099 1.844 2.278 . 0 0 "[ . 1 . 2 .]" 1
931 1 8 VAL H 1 8 VAL QG . . 3.799 2.689 2.306 2.860 . 0 0 "[ . 1 . 2 .]" 1
932 2 8 VAL H 2 8 VAL QG . . 3.799 2.691 2.307 2.859 . 0 0 "[ . 1 . 2 .]" 1
933 1 25 LYS H 1 25 LYS QD 4.091 . 4.909 3.762 2.412 4.400 . 0 0 "[ . 1 . 2 .]" 1
934 2 25 LYS H 2 25 LYS QD 4.091 . 4.909 3.763 2.417 4.401 . 0 0 "[ . 1 . 2 .]" 1
935 1 57 VAL H 1 57 VAL QG 3.266 . 3.919 2.169 1.890 2.433 . 0 0 "[ . 1 . 2 .]" 1
936 2 57 VAL H 2 57 VAL QG 3.266 . 3.919 2.167 1.886 2.435 . 0 0 "[ . 1 . 2 .]" 1
937 1 57 VAL QG 1 58 MET H 4.332 . 4.592 2.987 2.771 3.316 . 0 0 "[ . 1 . 2 .]" 1
938 2 57 VAL QG 2 58 MET H 4.332 . 4.592 2.986 2.783 3.315 . 0 0 "[ . 1 . 2 .]" 1
939 1 48 ILE H 1 48 ILE QG 3.536 . 4.243 3.917 3.769 4.031 . 0 0 "[ . 1 . 2 .]" 1
940 2 48 ILE H 2 48 ILE QG 3.536 . 4.243 3.917 3.768 4.030 . 0 0 "[ . 1 . 2 .]" 1
941 1 4 LEU H 1 4 LEU QD 4.885 . 5.434 2.706 1.843 3.631 0.111 12 0 "[ . 1 . 2 .]" 1
942 2 4 LEU H 2 4 LEU QD 4.885 . 5.434 2.702 1.843 3.633 0.111 12 0 "[ . 1 . 2 .]" 1
943 1 53 VAL H 1 53 VAL QG 3.298 . 3.957 2.040 1.837 2.553 . 0 0 "[ . 1 . 2 .]" 1
944 2 53 VAL H 2 53 VAL QG 3.298 . 3.957 2.042 1.840 2.549 . 0 0 "[ . 1 . 2 .]" 1
945 1 9 VAL MG1 1 10 ALA H 3.854 . 4.625 3.300 2.882 3.772 . 0 0 "[ . 1 . 2 .]" 1
946 2 9 VAL MG1 2 10 ALA H 3.854 . 4.625 3.300 2.872 3.771 . 0 0 "[ . 1 . 2 .]" 1
947 1 82 THR H 1 82 THR MG 3.740 . 4.488 3.652 3.001 3.744 . 0 0 "[ . 1 . 2 .]" 1
948 2 82 THR H 2 82 THR MG 3.740 . 4.488 3.650 2.987 3.728 . 0 0 "[ . 1 . 2 .]" 1
949 1 82 THR MG 1 83 THR H 4.033 . 4.840 3.547 2.603 4.069 . 0 0 "[ . 1 . 2 .]" 1
950 2 82 THR MG 2 83 THR H 4.033 . 4.840 3.548 2.563 4.086 . 0 0 "[ . 1 . 2 .]" 1
951 1 33 LEU H 1 33 LEU QD 4.226 . 5.071 3.317 2.404 3.655 . 0 0 "[ . 1 . 2 .]" 1
952 2 33 LEU H 2 33 LEU QD 4.226 . 5.071 3.316 2.405 3.655 . 0 0 "[ . 1 . 2 .]" 1
953 1 37 ILE H 1 37 ILE MG 3.332 . 4.199 3.582 2.729 3.708 . 0 0 "[ . 1 . 2 .]" 1
954 2 37 ILE H 2 37 ILE MG 3.332 . 4.199 3.582 2.730 3.712 . 0 0 "[ . 1 . 2 .]" 1
955 1 41 LEU H 1 41 LEU QD 3.489 . 4.187 2.818 1.936 3.274 . 0 0 "[ . 1 . 2 .]" 1
956 2 41 LEU H 2 41 LEU QD 3.489 . 4.187 2.819 1.935 3.278 . 0 0 "[ . 1 . 2 .]" 1
957 1 37 ILE MG 1 38 ASN H 3.768 . 4.621 3.525 2.665 4.034 . 0 0 "[ . 1 . 2 .]" 1
958 2 37 ILE MG 2 38 ASN H 3.768 . 4.621 3.524 2.669 4.033 . 0 0 "[ . 1 . 2 .]" 1
959 1 48 ILE MG 1 49 LYS H 3.363 . 4.035 1.899 1.752 2.148 . 0 0 "[ . 1 . 2 .]" 1
960 2 48 ILE MG 2 49 LYS H 3.363 . 4.035 1.900 1.752 2.151 . 0 0 "[ . 1 . 2 .]" 1
961 1 48 ILE H 1 48 ILE MG 4.816 . 5.780 2.278 1.774 2.671 0.153 21 0 "[ . 1 . 2 .]" 1
962 2 48 ILE H 2 48 ILE MG 4.816 . 5.780 2.278 1.782 2.675 0.145 21 0 "[ . 1 . 2 .]" 1
963 1 78 VAL QG 1 79 ALA H 4.217 . 5.060 1.876 1.762 2.247 0.051 24 0 "[ . 1 . 2 .]" 1
964 2 78 VAL QG 2 79 ALA H 4.217 . 5.060 1.876 1.763 2.255 0.051 21 0 "[ . 1 . 2 .]" 1
965 1 78 VAL H 1 78 VAL QG . . 4.022 2.538 2.303 2.871 . 0 0 "[ . 1 . 2 .]" 1
966 2 78 VAL H 2 78 VAL QG . . 4.022 2.538 2.294 2.870 . 0 0 "[ . 1 . 2 .]" 1
967 1 36 LEU H 1 36 LEU QD 4.132 . 5.258 3.440 3.175 3.559 . 0 0 "[ . 1 . 2 .]" 1
968 2 36 LEU H 2 36 LEU QD 4.132 . 5.258 3.438 3.167 3.557 . 0 0 "[ . 1 . 2 .]" 1
969 1 37 ILE H 1 37 ILE MD 3.500 . 4.201 2.215 1.787 2.890 . 0 0 "[ . 1 . 2 .]" 1
970 2 37 ILE H 2 37 ILE MD 3.500 . 4.201 2.215 1.792 2.888 . 0 0 "[ . 1 . 2 .]" 1
971 1 37 ILE MD 1 38 ASN H 5.551 2.220 6.661 3.969 3.356 4.198 . 0 0 "[ . 1 . 2 .]" 1
972 2 37 ILE MD 2 38 ASN H 5.551 2.220 6.661 3.969 3.358 4.199 . 0 0 "[ . 1 . 2 .]" 1
973 1 61 LEU H 1 61 LEU QD 4.076 . 4.892 3.459 2.358 3.682 . 0 0 "[ . 1 . 2 .]" 1
974 2 61 LEU H 2 61 LEU QD 4.076 . 4.892 3.460 2.353 3.685 . 0 0 "[ . 1 . 2 .]" 1
975 1 61 LEU QD 1 62 ASP H 4.469 . 5.363 3.833 3.613 4.151 . 0 0 "[ . 1 . 2 .]" 1
976 2 61 LEU QD 2 62 ASP H 4.469 . 5.363 3.834 3.603 4.153 . 0 0 "[ . 1 . 2 .]" 1
977 1 12 ILE MG 1 13 ASP H 4.146 . 4.976 3.506 3.013 3.782 . 0 0 "[ . 1 . 2 .]" 1
978 2 12 ILE MG 2 13 ASP H 4.146 . 4.976 3.500 3.022 3.786 . 0 0 "[ . 1 . 2 .]" 1
979 1 15 PHE QE 1 74 PHE QD 2.923 . 4.273 2.177 1.634 2.842 . 0 0 "[ . 1 . 2 .]" 1
980 2 15 PHE QE 2 74 PHE QD 2.923 . 4.273 2.176 1.637 2.849 . 0 0 "[ . 1 . 2 .]" 1
981 1 18 TYR QE 1 74 PHE QD 5.591 2.237 6.710 5.656 4.674 5.965 . 0 0 "[ . 1 . 2 .]" 1
982 2 18 TYR QE 2 74 PHE QD 5.591 2.237 6.710 5.662 4.679 5.966 . 0 0 "[ . 1 . 2 .]" 1
983 1 15 PHE QD 1 71 PHE HA 3.430 . 4.116 3.413 2.895 3.724 . 0 0 "[ . 1 . 2 .]" 1
984 2 15 PHE QD 2 71 PHE HA 3.430 . 4.116 3.417 2.894 3.757 . 0 0 "[ . 1 . 2 .]" 1
985 1 44 PHE QD 1 47 GLU HA 2.943 . 4.193 3.172 2.297 4.307 0.114 13 0 "[ . 1 . 2 .]" 1
986 2 44 PHE QD 2 47 GLU HA 2.943 . 4.193 3.174 2.300 4.305 0.112 13 0 "[ . 1 . 2 .]" 1
987 1 18 TYR QD 1 36 LEU QD 3.688 . 4.426 2.217 1.802 3.054 . 0 0 "[ . 1 . 2 .]" 1
988 2 18 TYR QD 2 36 LEU QD 3.688 . 4.426 2.216 1.780 3.048 . 0 0 "[ . 1 . 2 .]" 1
989 1 43 HIS HA 1 43 HIS HD2 3.576 . 4.291 3.315 2.456 4.263 . 0 0 "[ . 1 . 2 .]" 1
990 2 43 HIS HA 2 43 HIS HD2 3.576 . 4.291 3.315 2.451 4.264 . 0 0 "[ . 1 . 2 .]" 1
991 1 74 PHE QB 1 74 PHE QD 2.517 . 2.722 2.235 2.177 2.322 . 0 0 "[ . 1 . 2 .]" 1
992 2 74 PHE QB 2 74 PHE QD 2.517 . 2.722 2.235 2.165 2.322 . 0 0 "[ . 1 . 2 .]" 1
993 1 77 PHE HA 1 77 PHE QD 2.431 . 3.081 2.542 2.076 3.225 0.144 23 0 "[ . 1 . 2 .]" 1
994 2 77 PHE HA 2 77 PHE QD 2.431 . 3.081 2.541 2.074 3.224 0.143 23 0 "[ . 1 . 2 .]" 1
995 1 89 PHE HA 1 89 PHE QE 3.341 . 4.509 4.193 3.851 4.656 0.147 19 0 "[ . 1 . 2 .]" 1
996 2 89 PHE HA 2 89 PHE QE 3.341 . 4.509 4.188 3.852 4.650 0.141 19 0 "[ . 1 . 2 .]" 1
997 1 89 PHE QB 1 89 PHE QE 4.283 . 5.139 3.996 3.958 4.038 . 0 0 "[ . 1 . 2 .]" 1
998 2 89 PHE QB 2 89 PHE QE 4.283 . 5.139 3.995 3.953 4.038 . 0 0 "[ . 1 . 2 .]" 1
999 2 83 THR MG 2 88 PHE QE 2.609 . 3.914 3.804 1.804 4.435 0.521 25 1 "[ . 1 . 2 +]" 1
1000 1 83 THR MG 1 88 PHE QE 2.609 . 3.914 3.804 1.785 4.437 0.523 25 1 "[ . 1 . 2 +]" 1
1001 1 83 THR MG 2 71 PHE H 3.545 . 4.500 4.376 2.841 4.715 0.214 12 0 "[ . 1 . 2 .]" 1
1002 1 71 PHE H 2 83 THR MG 3.545 . 4.500 4.333 2.937 4.678 0.178 12 0 "[ . 1 . 2 .]" 1
1003 1 83 THR MG 2 72 GLN H 2.610 . 3.314 3.214 2.190 3.597 0.283 18 0 "[ . 1 . 2 .]" 1
1004 1 72 GLN H 2 83 THR MG 2.610 . 3.314 3.173 2.170 3.606 0.292 24 0 "[ . 1 . 2 .]" 1
1005 1 89 PHE QE 2 71 PHE QD 2.647 . 3.360 2.885 1.922 3.707 0.347 19 0 "[ . 1 . 2 .]" 1
1006 1 71 PHE QD 2 89 PHE QE 2.647 . 3.360 2.899 1.941 3.740 0.380 19 0 "[ . 1 . 2 .]" 1
1007 1 79 ALA MB 2 72 GLN QB 2.055 . 3.061 2.899 1.876 3.217 0.156 12 0 "[ . 1 . 2 .]" 1
1008 1 72 GLN QB 2 79 ALA MB 2.055 . 3.061 2.860 2.006 3.212 0.151 12 0 "[ . 1 . 2 .]" 1
1009 1 79 ALA MB 2 72 GLN HA 2.244 . 2.689 2.118 1.709 2.700 0.011 22 0 "[ . 1 . 2 .]" 1
1010 1 72 GLN HA 2 79 ALA MB 2.244 . 2.689 2.088 1.722 2.696 0.007 22 0 "[ . 1 . 2 .]" 1
1011 1 6 LYS QG 2 40 GLU HA 3.438 . 4.544 4.728 4.597 4.832 0.289 12 0 "[ . 1 . 2 .]" 1
1012 1 40 GLU HA 2 6 LYS QG 3.438 . 4.544 4.721 4.597 4.825 0.281 25 0 "[ . 1 . 2 .]" 1
1013 1 78 VAL QG 2 8 VAL HA 5.213 2.085 6.256 4.397 3.852 5.202 . 0 0 "[ . 1 . 2 .]" 1
1014 1 8 VAL HA 2 78 VAL QG 5.213 2.085 6.256 4.406 3.838 5.204 . 0 0 "[ . 1 . 2 .]" 1
1015 1 41 LEU QD 2 8 VAL HB 3.303 . 4.309 3.829 3.287 4.377 0.068 18 0 "[ . 1 . 2 .]" 1
1016 1 8 VAL HB 2 41 LEU QD 3.303 . 4.309 3.836 3.277 4.305 . 0 0 "[ . 1 . 2 .]" 1
1017 1 3 GLU QB 2 14 VAL MG1 3.017 . 4.223 4.126 3.307 4.294 0.071 8 0 "[ . 1 . 2 .]" 1
1018 1 14 VAL MG1 2 3 GLU QB 3.017 . 4.223 4.102 3.282 4.306 0.084 8 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 1146
_Distance_constraint_stats_list.Viol_count 5692
_Distance_constraint_stats_list.Viol_total 161763.125
_Distance_constraint_stats_list.Viol_max 15.125
_Distance_constraint_stats_list.Viol_rms 1.1327
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2258
_Distance_constraint_stats_list.Viol_average_violations_only 1.1368
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.479 0.118 6 0 "[ . 1 . 2 .]"
1 3 GLU 264.883 4.187 2 25 [*+************-**********]
1 4 LEU 997.276 9.588 8 25 [*******+-****************]
1 5 GLU 832.271 15.125 19 25 [********-*********+******]
1 6 LYS 97.195 5.386 22 25 [***-*****************+***]
1 7 ALA 81.325 4.541 10 25 [*********+********-******]
1 8 VAL 674.888 10.056 13 25 [************+*********-**]
1 9 VAL 18.989 1.173 13 13 "[ ** * -1 *+** * ** **]"
1 10 ALA 154.155 4.187 2 25 [*+******************-****]
1 11 LEU 126.223 4.541 10 25 [*********+-**************]
1 12 ILE 303.145 5.187 7 25 [******+*-****************]
1 13 ASP 4.630 0.231 24 0 "[ . 1 . 2 .]"
1 14 VAL 315.859 7.293 16 25 [********-******+*********]
1 15 PHE 178.024 5.386 22 25 [**-******************+***]
1 16 HIS 111.258 5.386 22 24 [*********1*****-*****+***]
1 17 GLN 74.627 5.066 13 25 [*******-****+************]
1 18 TYR 125.190 5.386 22 24 [**-******1***********+***]
1 19 SER 208.050 5.187 7 25 [******+******-***********]
1 20 GLY 175.064 10.056 13 25 [*********-**+************]
1 21 ARG 3.230 0.300 18 0 "[ . 1 . 2 .]"
1 22 GLU 27.184 2.239 10 17 "[ * **** -+ **** * ** * **]"
1 23 GLY 186.284 10.056 13 25 [*********-**+************]
1 24 ASP 0.581 0.066 14 0 "[ . 1 . 2 .]"
1 25 LYS 17.750 1.074 19 14 "[ * .** *1- * * * +*** **]"
1 26 HIS 221.475 10.056 13 25 [************+***********-]
1 27 LYS 65.821 4.541 10 25 [*********+********-******]
1 28 LEU 18.191 2.199 24 7 "[ .*- 1 ** .* *2 +.]"
1 29 LYS 60.347 4.541 10 25 [*********+************-**]
1 30 LYS 56.755 4.541 10 25 [***-*****+***************]
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 GLU 22.487 0.836 13 12 "[ ** * *1 *+*. * ** -*.]"
1 33 LEU 323.499 5.187 7 25 [******+*******-**********]
1 34 LYS 22.984 2.199 24 10 "[* .** 1*** .* -2 +*]"
1 35 GLU 219.467 5.187 7 25 [******+*-****************]
1 36 LEU 302.356 5.342 9 25 [**-*****+****************]
1 37 ILE 145.332 4.541 10 25 [***-*****+***************]
1 38 ASN 4.484 0.193 12 0 "[ . 1 . 2 .]"
1 39 ASN 202.752 9.588 8 25 [**-****+*****************]
1 40 GLU 515.692 15.125 19 25 [******************+******]
1 41 LEU 725.515 11.348 19 25 [********-*********+******]
1 42 SER 11.667 5.066 13 1 "[ . 1 + . 2 .]"
1 43 HIS 61.033 2.245 14 25 [********-****+***********]
1 44 PHE 75.702 4.329 2 23 [*+******-1**************.]
1 45 LEU 268.150 5.187 7 25 [***-**+******************]
1 46 GLU 79.979 2.239 10 25 [*********+********-******]
1 47 GLU 27.243 2.239 10 17 "[ * **** -+ **** * ** * **]"
1 48 ILE 78.308 4.541 10 25 [*********+-**************]
1 49 LYS 68.959 4.541 10 25 [******-**+***************]
1 50 GLU 33.372 2.239 10 17 "[ * **** -+ **** * ** * **]"
1 51 GLN 210.372 10.056 13 25 [************+*********-**]
1 52 GLU 5.343 0.504 23 1 "[ . 1 . 2 + .]"
1 53 VAL 117.732 4.125 8 25 [*******+******-**********]
1 54 VAL 107.315 2.245 14 25 [**********-**+***********]
1 55 ASP 1.801 0.091 14 0 "[ . 1 . 2 .]"
1 56 LYS 3.809 0.140 4 0 "[ . 1 . 2 .]"
1 57 VAL 90.938 4.125 8 25 [*******+**************-**]
1 58 MET 9.014 0.836 13 11 "[ ** * -1 *+*. * ** *.]"
1 59 GLU 32.136 1.844 13 22 "[ ********* *+*-** *******]"
1 60 THR 14.951 2.199 24 7 "[ .*- 1 ** .* *2 +.]"
1 61 LEU 12.489 0.635 24 7 "[* . 1* * .* -2 +*]"
1 62 ASP 0.431 0.077 3 0 "[ . 1 . 2 .]"
1 63 SER 209.570 5.187 7 25 [******+******-***********]
1 64 ASP 118.178 5.386 22 24 [*********1***********+-**]
1 65 GLY 14.993 5.066 13 1 "[ . 1 + . 2 .]"
1 66 ASP 6.639 0.504 23 1 "[ . 1 . 2 + .]"
1 67 GLY 12.446 5.066 13 1 "[ . 1 + . 2 .]"
1 68 GLU 36.065 1.844 13 22 "[ ********* *+**** ****-**]"
1 69 CYS 4.884 0.192 22 0 "[ . 1 . 2 .]"
1 70 ASP 8.470 0.278 3 0 "[ . 1 . 2 .]"
1 71 PHE 132.585 5.386 22 24 [*********1***-*******+***]
1 72 GLN 80.819 5.066 13 22 "[ *******-* *+**** *******]"
1 73 GLU 127.899 5.187 7 25 [******+-*****************]
1 74 PHE 163.237 7.430 8 25 [**-****+*****************]
1 75 MET 113.729 4.709 16 24 "[* *************+**-******]"
1 76 ALA 219.394 5.187 7 25 [******+***-**************]
1 77 PHE 87.129 5.386 22 17 "[***** ** 1* **-* *2*+* *]"
1 78 VAL 322.112 5.342 9 25 [********+*********-******]
1 79 ALA 218.754 4.709 16 25 [***************+**-******]
1 80 MET 61.230 2.239 10 22 "[ ********+ ***-** *******]"
1 81 ILE 32.504 1.074 19 14 "[ * .** *1- * * * +*** **]"
1 82 THR 176.661 6.807 25 25 [**********-*************+]
1 83 THR 52.034 4.329 2 19 "[ + **- **** ******* ****]"
1 84 ALA 115.267 5.386 22 24 [*********1****-******+***]
1 85 CYS 2.904 0.324 10 0 "[ . 1 . 2 .]"
1 86 HIS 3.326 0.452 17 0 "[ . 1 . 2 .]"
1 88 PHE 84.148 4.541 10 25 [***-*****+***************]
1 89 PHE 477.593 10.056 13 25 [************+**-*********]
1 90 GLU 73.832 4.541 10 25 [***-*****+***************]
1 91 HIS 111.258 5.386 22 24 [*********1*****-*****+***]
1 92 GLU 248.355 5.187 7 25 [*****-+******************]
2 2 SER 0.452 0.124 6 0 "[ . 1 . 2 .]"
2 3 GLU 264.909 4.191 2 25 [*+************-**********]
2 4 LEU 997.340 9.590 8 25 [*******+-****************]
2 5 GLU 832.038 15.125 19 25 [********-*********+******]
2 6 LYS 96.962 5.378 22 25 [***-*****************+***]
2 7 ALA 79.913 4.540 10 25 [*********+********-******]
2 8 VAL 672.787 10.056 13 25 [************+*********-**]
2 9 VAL 18.879 1.172 13 13 "[ ** * -1 *+** * ** **]"
2 10 ALA 154.222 4.191 2 25 [*+******************-****]
2 11 LEU 125.713 4.540 10 25 [*********+***-***********]
2 12 ILE 303.104 5.193 7 25 [******+*-****************]
2 13 ASP 4.756 0.222 24 0 "[ . 1 . 2 .]"
2 14 VAL 314.796 7.297 16 25 [********-******+*********]
2 15 PHE 177.706 5.378 22 25 [**-******************+***]
2 16 HIS 111.214 5.378 22 24 [*********1*****-*****+***]
2 17 GLN 74.550 5.057 13 25 [*******-****+************]
2 18 TYR 124.392 5.378 22 24 [*********1*****-*****+***]
2 19 SER 208.076 5.193 7 25 [******+******-***********]
2 20 GLY 175.010 10.056 13 25 [*********-**+************]
2 21 ARG 3.459 0.318 18 0 "[ . 1 . 2 .]"
2 22 GLU 26.507 2.232 10 17 "[ * **** -+ **** * ** * **]"
2 23 GLY 185.950 10.056 13 25 [*********-**+************]
2 24 ASP 0.531 0.068 22 0 "[ . 1 . 2 .]"
2 25 LYS 17.747 1.071 19 15 "[ * .** *1* *-* * +*** **]"
2 26 HIS 221.294 10.056 13 25 [************+***********-]
2 27 LYS 65.764 4.540 10 24 "[*********+********-*** **]"
2 28 LEU 18.465 2.190 24 7 "[ .*- 1 ** .* *2 +.]"
2 29 LYS 57.828 4.540 10 24 "[***-*****+************ **]"
2 30 LYS 56.129 4.540 10 24 "[***-*****+************ **]"
2 31 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 32 GLU 20.060 0.840 13 11 "[ ** * -1 *+*. * ** *.]"
2 33 LEU 322.451 5.193 7 25 [******+*******-**********]
2 34 LYS 23.294 2.190 24 10 "[* .** 1*** .* -2 +*]"
2 35 GLU 218.735 5.193 7 25 [******+*-****************]
2 36 LEU 301.788 5.348 9 25 [********+****************]
2 37 ILE 144.842 4.540 10 25 [***-*****+***************]
2 38 ASN 4.355 0.192 12 0 "[ . 1 . 2 .]"
2 39 ASN 202.677 9.590 8 25 [**-****+*****************]
2 40 GLU 513.465 15.125 19 25 [******************+******]
2 41 LEU 725.319 11.344 19 25 [********-*********+******]
2 42 SER 11.429 5.057 13 1 "[ . 1 + . 2 .]"
2 43 HIS 60.940 2.235 14 25 [********-****+***********]
2 44 PHE 75.644 4.330 2 23 [*+******-1**************.]
2 45 LEU 267.824 5.193 7 25 [***-**+******************]
2 46 GLU 79.412 2.232 10 25 [*********+********-******]
2 47 GLU 26.560 2.232 10 17 "[ * **** -+ **** * ** * **]"
2 48 ILE 77.870 4.540 10 24 "[*********+***-******** **]"
2 49 LYS 68.606 4.540 10 24 "[******-**+************ **]"
2 50 GLU 32.665 2.232 10 17 "[ * **** -+ **** * ** * **]"
2 51 GLN 208.224 10.056 13 25 [************+*-**********]
2 52 GLU 3.302 0.212 6 0 "[ . 1 . 2 .]"
2 53 VAL 117.613 4.124 8 25 [*******+******-**********]
2 54 VAL 107.266 2.235 14 25 [*************+***********]
2 55 ASP 1.761 0.100 1 0 "[ . 1 . 2 .]"
2 56 LYS 3.962 0.137 4 0 "[ . 1 . 2 .]"
2 57 VAL 88.877 4.124 8 25 [**-****+*****************]
2 58 MET 8.992 0.840 13 11 "[ ** * -1 *+*. * ** *.]"
2 59 GLU 32.134 1.848 13 22 "[ ********* *+*-** *******]"
2 60 THR 14.173 2.190 24 7 "[ .*- 1 ** .* *2 +.]"
2 61 LEU 12.640 0.634 24 7 "[* . 1* * .* -2 +*]"
2 62 ASP 0.407 0.093 4 0 "[ . 1 . 2 .]"
2 63 SER 209.653 5.193 7 25 [******+******-***********]
2 64 ASP 115.873 5.378 22 24 [*********1****-******+***]
2 65 GLY 13.733 5.057 13 1 "[ . 1 + . 2 .]"
2 66 ASP 4.633 0.212 6 0 "[ . 1 . 2 .]"
2 67 GLY 12.098 5.057 13 1 "[ . 1 + . 2 .]"
2 68 GLU 33.951 1.848 13 22 "[ ********* *+*-** *******]"
2 69 CYS 4.995 0.192 22 0 "[ . 1 . 2 .]"
2 70 ASP 8.684 0.321 18 0 "[ . 1 . 2 .]"
2 71 PHE 131.548 5.378 22 24 [*********1***********+**-]
2 72 GLN 79.239 5.057 13 22 "[ *******-* *+**** *******]"
2 73 GLU 127.977 5.193 7 25 [******+-*****************]
2 74 PHE 163.323 7.428 8 25 [**-****+*****************]
2 75 MET 113.175 4.724 16 24 "[* *************+**-******]"
2 76 ALA 219.728 5.193 7 25 [******+***-**************]
2 77 PHE 87.109 5.378 22 17 "[***** ** 1* **-* *2*+* *]"
2 78 VAL 322.195 5.348 9 25 [********+*********-******]
2 79 ALA 218.844 4.724 16 25 [***************+**-******]
2 80 MET 59.629 2.232 10 22 "[ ********+ ***-** *******]"
2 81 ILE 32.366 1.071 19 15 "[ * .** *1* *-* * +*** **]"
2 82 THR 176.257 6.828 25 25 [*************-**********+]
2 83 THR 50.546 4.330 2 19 "[ + **- **** ******* ****]"
2 84 ALA 115.147 5.378 22 24 [*********1****-******+***]
2 85 CYS 2.935 0.357 10 0 "[ . 1 . 2 .]"
2 86 HIS 2.306 0.346 24 0 "[ . 1 . 2 .]"
2 88 PHE 82.858 4.540 10 25 [***-*****+***************]
2 89 PHE 477.112 10.056 13 25 [************+**-*********]
2 90 GLU 72.831 4.540 10 24 "[***-*****+************ **]"
2 91 HIS 111.157 5.378 22 24 [*********1*****-*****+***]
2 92 GLU 248.048 5.193 7 25 [*****-+******************]
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 4 LEU QB 2 14 VAL QG 2.725 . 3.731 2.880 1.502 3.707 . 0 0 "[ . 1 . 2 .]" 2
2 1 14 VAL QG 2 4 LEU QB 2.725 . 3.731 2.901 1.497 3.723 . 0 0 "[ . 1 . 2 .]" 2
3 1 78 VAL QG 2 8 VAL QG 3.571 . 4.577 2.331 1.717 3.069 . 0 0 "[ . 1 . 2 .]" 2
4 1 8 VAL QG 2 78 VAL QG 3.571 . 4.577 2.334 1.699 3.074 . 0 0 "[ . 1 . 2 .]" 2
5 1 11 LEU QD 2 78 VAL QG 2.854 . 3.860 3.506 2.668 4.034 0.174 10 0 "[ . 1 . 2 .]" 2
6 1 78 VAL QG 2 11 LEU QD 2.854 . 3.860 3.501 2.675 4.023 0.163 10 0 "[ . 1 . 2 .]" 2
7 1 75 MET ME 2 78 VAL QG 3.668 . 4.674 2.431 1.592 4.169 . 0 0 "[ . 1 . 2 .]" 2
8 1 78 VAL QG 2 75 MET ME 3.668 . 4.674 2.435 1.595 4.167 . 0 0 "[ . 1 . 2 .]" 2
9 1 82 THR MG 2 12 ILE MG 1.609 . 2.815 2.659 1.704 3.400 0.585 25 1 "[ . 1 . 2 +]" 2
10 1 12 ILE MG 2 82 THR MG 1.609 . 2.815 2.653 1.707 3.289 0.474 10 0 "[ . 1 . 2 .]" 2
11 1 6 LYS H 2 41 LEU HG 6.097 2.439 7.317 6.439 5.535 7.339 0.022 12 0 "[ . 1 . 2 .]" 2
12 1 41 LEU HG 2 6 LYS H 6.097 2.439 7.317 6.405 5.532 7.334 0.017 12 0 "[ . 1 . 2 .]" 2
13 1 4 LEU H 2 14 VAL QG 3.293 . 3.951 3.243 2.116 4.003 0.051 24 0 "[ . 1 . 2 .]" 2
14 1 14 VAL QG 2 4 LEU H 3.293 . 3.951 3.255 2.104 4.011 0.060 24 0 "[ . 1 . 2 .]" 2
15 1 59 GLU H 1 61 LEU H 4.000 . 5.000 4.321 4.098 4.641 . 0 0 "[ . 1 . 2 .]" 2
16 1 57 VAL HA 1 61 LEU H 4.000 . 5.000 4.323 3.910 4.750 . 0 0 "[ . 1 . 2 .]" 2
17 1 61 LEU HA 1 77 PHE QB 4.000 . 5.000 4.499 3.407 5.091 0.091 16 0 "[ . 1 . 2 .]" 2
18 1 58 MET HA 1 61 LEU QB 4.000 . 5.000 2.397 1.998 2.920 0.002 14 0 "[ . 1 . 2 .]" 2
19 1 59 GLU HA 1 62 ASP QB 3.000 . 4.000 3.198 2.653 3.880 . 0 0 "[ . 1 . 2 .]" 2
20 1 15 PHE QD 1 70 ASP HA 5.000 3.000 6.000 5.202 4.095 5.856 . 0 0 "[ . 1 . 2 .]" 2
21 1 60 THR HG1 1 63 SER H 4.000 . 5.000 4.325 3.809 4.866 . 0 0 "[ . 1 . 2 .]" 2
22 1 63 SER H 1 64 ASP HA 4.000 . 5.000 4.948 4.768 5.100 0.100 24 0 "[ . 1 . 2 .]" 2
23 1 61 LEU QD 1 63 SER H 4.000 . 5.000 4.889 4.377 5.112 0.112 20 0 "[ . 1 . 2 .]" 2
24 1 63 SER HA 1 64 ASP H 3.000 . 4.000 3.501 3.184 3.604 . 0 0 "[ . 1 . 2 .]" 2
25 1 19 SER HA 1 28 LEU HA . . 3.796 3.747 3.298 3.936 0.140 12 0 "[ . 1 . 2 .]" 2
26 1 28 LEU QD 1 69 CYS HA 5.000 3.000 6.000 5.208 4.544 5.979 . 0 0 "[ . 1 . 2 .]" 2
27 1 33 LEU HA 1 78 VAL QG 5.000 3.000 6.000 4.044 3.846 4.414 . 0 0 "[ . 1 . 2 .]" 2
28 1 36 LEU QD 1 74 PHE QD 3.000 . 3.511 1.871 1.596 2.372 . 0 0 "[ . 1 . 2 .]" 2
29 1 36 LEU QD 1 74 PHE QE . . 2.854 1.906 1.682 2.260 . 0 0 "[ . 1 . 2 .]" 2
30 1 83 THR MG 1 89 PHE QD 5.000 . 6.000 3.465 1.860 6.016 0.140 12 0 "[ . 1 . 2 .]" 2
31 1 83 THR MG 1 89 PHE QE 4.000 . 5.000 3.486 2.508 5.185 0.185 13 0 "[ . 1 . 2 .]" 2
32 2 59 GLU H 2 61 LEU H 4.000 . 5.000 4.319 4.095 4.680 . 0 0 "[ . 1 . 2 .]" 2
33 2 57 VAL HA 2 61 LEU H 4.000 . 5.000 4.327 3.913 4.758 . 0 0 "[ . 1 . 2 .]" 2
34 2 61 LEU HA 2 77 PHE QB 4.000 . 5.000 4.501 3.402 5.092 0.092 16 0 "[ . 1 . 2 .]" 2
35 2 58 MET HA 2 61 LEU QB 4.000 . 5.000 2.396 1.987 2.918 0.013 14 0 "[ . 1 . 2 .]" 2
36 2 59 GLU HA 2 62 ASP QB 3.000 . 4.000 3.197 2.655 3.887 . 0 0 "[ . 1 . 2 .]" 2
37 2 15 PHE QD 2 70 ASP HA 5.000 3.000 6.000 5.197 4.040 5.860 . 0 0 "[ . 1 . 2 .]" 2
38 2 60 THR HG1 2 63 SER H 4.000 . 5.000 4.333 3.810 4.922 . 0 0 "[ . 1 . 2 .]" 2
39 2 63 SER H 2 64 ASP HA 4.000 . 5.000 4.943 4.728 5.098 0.098 16 0 "[ . 1 . 2 .]" 2
40 2 61 LEU QD 2 63 SER H 4.000 . 5.000 4.889 4.375 5.105 0.105 20 0 "[ . 1 . 2 .]" 2
41 2 63 SER HA 2 64 ASP H 3.000 . 4.000 3.501 3.180 3.605 . 0 0 "[ . 1 . 2 .]" 2
42 2 19 SER HA 2 28 LEU HA . . 3.796 3.748 3.301 3.942 0.146 12 0 "[ . 1 . 2 .]" 2
43 2 28 LEU QD 2 69 CYS HA 5.000 3.000 6.000 5.207 4.533 5.978 . 0 0 "[ . 1 . 2 .]" 2
44 2 33 LEU HA 2 78 VAL QG 5.000 3.000 6.000 4.042 3.838 4.416 . 0 0 "[ . 1 . 2 .]" 2
45 2 36 LEU QD 2 74 PHE QD 3.000 . 3.511 1.873 1.595 2.370 . 0 0 "[ . 1 . 2 .]" 2
46 2 36 LEU QD 2 74 PHE QE . . 2.854 1.896 1.679 2.264 . 0 0 "[ . 1 . 2 .]" 2
47 1 77 PHE QB 1 77 PHE QD 2.855 . 3.861 2.159 2.146 2.190 . 0 0 "[ . 1 . 2 .]" 2
48 2 77 PHE QB 2 77 PHE QD 2.855 . 3.861 2.158 2.144 2.187 . 0 0 "[ . 1 . 2 .]" 2
49 1 18 TYR QD 1 32 GLU QG 4.161 . 5.167 4.646 3.391 5.147 . 0 0 "[ . 1 . 2 .]" 2
50 2 18 TYR QD 2 32 GLU QG 4.161 . 5.167 4.633 3.390 5.152 . 0 0 "[ . 1 . 2 .]" 2
51 1 61 LEU QD 1 77 PHE QD . . 4.146 3.608 2.954 4.166 0.020 11 0 "[ . 1 . 2 .]" 2
52 2 61 LEU QD 2 77 PHE QD . . 4.146 3.610 2.955 4.170 0.024 11 0 "[ . 1 . 2 .]" 2
53 1 77 PHE QD 1 80 MET ME 4.408 . 5.414 3.835 2.991 4.724 . 0 0 "[ . 1 . 2 .]" 2
54 2 77 PHE QD 2 80 MET ME 4.408 . 5.414 3.834 2.997 4.724 . 0 0 "[ . 1 . 2 .]" 2
55 1 33 LEU MD2 1 74 PHE QD 4.621 . 5.627 4.593 3.131 5.686 0.059 16 0 "[ . 1 . 2 .]" 2
56 2 33 LEU MD2 2 74 PHE QD 4.621 . 5.627 4.590 3.126 5.693 0.066 16 0 "[ . 1 . 2 .]" 2
57 1 14 VAL MG1 1 74 PHE QD 5.570 . 7.684 3.933 3.116 5.562 . 0 0 "[ . 1 . 2 .]" 2
58 2 14 VAL MG1 2 74 PHE QD 5.570 . 7.684 3.934 3.117 5.563 . 0 0 "[ . 1 . 2 .]" 2
59 1 14 VAL QG 1 18 TYR QE . . 3.084 2.161 1.850 2.796 0.100 10 0 "[ . 1 . 2 .]" 2
60 2 14 VAL QG 2 18 TYR QE . . 3.084 2.159 1.836 2.797 0.114 10 0 "[ . 1 . 2 .]" 2
61 1 27 LYS HA 1 27 LYS QE 4.322 . 4.508 4.024 3.460 4.650 0.142 3 0 "[ . 1 . 2 .]" 2
62 2 27 LYS HA 2 27 LYS QE 4.322 . 4.508 4.024 3.459 4.652 0.145 3 0 "[ . 1 . 2 .]" 2
63 1 20 GLY QA 1 25 LYS HA . 2.123 3.781 3.682 2.706 3.850 0.070 18 0 "[ . 1 . 2 .]" 2
64 2 20 GLY QA 2 25 LYS HA . 2.123 3.781 3.683 2.710 3.848 0.067 18 0 "[ . 1 . 2 .]" 2
65 1 10 ALA MB 1 11 LEU HA . . 4.093 3.794 3.707 3.942 . 0 0 "[ . 1 . 2 .]" 2
66 2 10 ALA MB 2 11 LEU HA . . 4.093 3.793 3.706 3.943 . 0 0 "[ . 1 . 2 .]" 2
67 1 19 SER HA 1 28 LEU QB 4.950 . 5.956 3.782 3.056 4.497 . 0 0 "[ . 1 . 2 .]" 2
68 2 19 SER HA 2 28 LEU QB 4.950 . 5.956 3.782 3.057 4.499 . 0 0 "[ . 1 . 2 .]" 2
69 1 19 SER HA 1 28 LEU QD 3.468 . 4.474 2.398 1.769 3.028 . 0 0 "[ . 1 . 2 .]" 2
70 2 19 SER HA 2 28 LEU QD 3.468 . 4.474 2.396 1.760 3.028 . 0 0 "[ . 1 . 2 .]" 2
71 1 80 MET HA 1 80 MET ME . 2.006 4.647 3.397 1.954 4.662 0.052 22 0 "[ . 1 . 2 .]" 2
72 2 80 MET HA 2 80 MET ME . 2.006 4.647 3.398 1.964 4.658 0.042 22 0 "[ . 1 . 2 .]" 2
73 1 42 SER HA 1 45 LEU QD 4.153 . 5.159 2.684 1.661 3.056 . 0 0 "[ . 1 . 2 .]" 2
74 2 42 SER HA 2 45 LEU QD 4.153 . 5.159 2.682 1.659 3.043 0.002 8 0 "[ . 1 . 2 .]" 2
75 1 8 VAL HA 1 10 ALA MB . 2.999 6.850 4.537 4.284 4.792 . 0 0 "[ . 1 . 2 .]" 2
76 2 8 VAL HA 2 10 ALA MB . 2.999 6.850 4.539 4.271 4.790 . 0 0 "[ . 1 . 2 .]" 2
77 1 8 VAL HA 1 11 LEU QD . . 3.797 2.082 1.648 2.998 . 0 0 "[ . 1 . 2 .]" 2
78 2 8 VAL HA 2 11 LEU QD . . 3.797 2.083 1.654 3.009 . 0 0 "[ . 1 . 2 .]" 2
79 1 7 ALA MB 1 8 VAL HA . 2.015 4.665 3.884 3.759 3.953 . 0 0 "[ . 1 . 2 .]" 2
80 2 7 ALA MB 2 8 VAL HA . 2.015 4.665 3.885 3.753 3.950 . 0 0 "[ . 1 . 2 .]" 2
81 1 57 VAL HA 1 60 THR MG . 2.313 5.285 4.864 4.082 5.289 0.004 4 0 "[ . 1 . 2 .]" 2
82 2 57 VAL HA 2 60 THR MG . 2.313 5.285 4.867 4.091 5.285 . 0 0 "[ . 1 . 2 .]" 2
83 1 72 GLN HA 1 75 MET QG 4.493 . 4.660 4.076 2.761 4.960 0.301 16 0 "[ . 1 . 2 .]" 2
84 2 72 GLN HA 2 75 MET QG 4.493 . 4.660 4.091 2.756 4.971 0.312 16 0 "[ . 1 . 2 .]" 2
85 1 72 GLN HA 1 75 MET QB 4.415 . 5.421 2.947 2.505 5.086 . 0 0 "[ . 1 . 2 .]" 2
86 2 72 GLN HA 2 75 MET QB 4.415 . 5.421 2.952 2.458 5.080 . 0 0 "[ . 1 . 2 .]" 2
87 1 72 GLN HA 1 75 MET ME 5.435 2.174 6.522 4.954 3.431 5.721 . 0 0 "[ . 1 . 2 .]" 2
88 2 72 GLN HA 2 75 MET ME 5.435 2.174 6.522 4.947 3.411 5.725 . 0 0 "[ . 1 . 2 .]" 2
89 1 15 PHE QB 1 36 LEU QD 6.883 2.753 8.260 5.342 5.094 5.631 . 0 0 "[ . 1 . 2 .]" 2
90 2 15 PHE QB 2 36 LEU QD 6.883 2.753 8.260 5.352 5.096 5.635 . 0 0 "[ . 1 . 2 .]" 2
91 1 75 MET HA 1 79 ALA MB . 2.276 5.210 4.069 3.751 4.908 . 0 0 "[ . 1 . 2 .]" 2
92 2 75 MET HA 2 79 ALA MB . 2.276 5.210 4.073 3.755 4.916 . 0 0 "[ . 1 . 2 .]" 2
93 1 75 MET HA 1 75 MET QG 3.757 . 4.004 2.392 2.008 3.293 . 0 0 "[ . 1 . 2 .]" 2
94 2 75 MET HA 2 75 MET QG 3.757 . 4.004 2.378 2.007 3.291 . 0 0 "[ . 1 . 2 .]" 2
95 1 76 ALA MB 1 77 PHE QB . 2.493 5.660 3.400 3.279 3.500 . 0 0 "[ . 1 . 2 .]" 2
96 2 76 ALA MB 2 77 PHE QB . 2.493 5.660 3.402 3.274 3.504 . 0 0 "[ . 1 . 2 .]" 2
97 1 12 ILE MG 1 13 ASP QB 7.823 3.129 9.388 4.644 4.214 4.976 . 0 0 "[ . 1 . 2 .]" 2
98 2 12 ILE MG 2 13 ASP QB 7.823 3.129 9.388 4.640 4.169 4.985 . 0 0 "[ . 1 . 2 .]" 2
99 1 82 THR MG 1 85 CYS QB . . 3.544 3.560 3.064 3.868 0.324 10 0 "[ . 1 . 2 .]" 2
100 2 82 THR MG 2 85 CYS QB . . 3.544 3.558 3.075 3.901 0.357 10 0 "[ . 1 . 2 .]" 2
101 1 30 LYS QE 1 30 LYS QG 3.045 . 4.051 2.180 1.920 2.573 . 0 0 "[ . 1 . 2 .]" 2
102 2 30 LYS QE 2 30 LYS QG 3.045 . 4.051 2.180 1.920 2.579 . 0 0 "[ . 1 . 2 .]" 2
103 1 77 PHE QB 1 78 VAL MG1 8.083 3.233 9.700 4.474 4.174 4.992 . 0 0 "[ . 1 . 2 .]" 2
104 2 77 PHE QB 2 78 VAL MG1 8.083 3.233 9.700 4.472 4.171 4.989 . 0 0 "[ . 1 . 2 .]" 2
105 1 27 LYS QB 1 70 ASP HB3 4.136 . 5.142 5.020 4.520 5.192 0.050 12 0 "[ . 1 . 2 .]" 2
106 2 27 LYS QB 2 70 ASP HB3 4.136 . 5.142 5.020 4.522 5.193 0.051 1 0 "[ . 1 . 2 .]" 2
107 1 27 LYS QG 1 70 ASP HB3 3.113 . 3.430 3.436 3.239 3.569 0.138 3 0 "[ . 1 . 2 .]" 2
108 2 27 LYS QG 2 70 ASP HB3 3.113 . 3.430 3.434 3.228 3.566 0.135 3 0 "[ . 1 . 2 .]" 2
109 1 18 TYR QB 1 36 LEU QD 4.726 . 5.732 2.776 2.299 3.508 . 0 0 "[ . 1 . 2 .]" 2
110 2 18 TYR QB 2 36 LEU QD 4.726 . 5.732 2.776 2.257 3.503 . 0 0 "[ . 1 . 2 .]" 2
111 1 18 TYR QB 1 28 LEU HG 8.137 3.255 9.764 3.209 3.063 3.606 0.192 22 0 "[ . 1 . 2 .]" 2
112 2 18 TYR QB 2 28 LEU HG 8.137 3.255 9.764 3.208 3.062 3.611 0.192 22 0 "[ . 1 . 2 .]" 2
113 1 30 LYS QB 1 30 LYS QG 4.530 . 5.536 2.074 2.001 2.105 . 0 0 "[ . 1 . 2 .]" 2
114 2 30 LYS QB 2 30 LYS QG 4.530 . 5.536 2.074 2.001 2.107 . 0 0 "[ . 1 . 2 .]" 2
115 1 57 VAL HB 1 61 LEU QD . 4.332 10.179 5.232 4.670 5.629 . 0 0 "[ . 1 . 2 .]" 2
116 2 57 VAL HB 2 61 LEU QD . 4.332 10.179 5.233 4.664 5.634 . 0 0 "[ . 1 . 2 .]" 2
117 1 4 LEU QD 1 5 GLU QB 4.223 . 5.229 3.972 2.403 4.860 . 0 0 "[ . 1 . 2 .]" 2
118 2 4 LEU QD 2 5 GLU QB 4.223 . 5.229 3.969 2.406 4.865 . 0 0 "[ . 1 . 2 .]" 2
119 1 28 LEU HG 1 69 CYS QB 3.924 . 4.387 4.310 3.631 4.465 0.078 13 0 "[ . 1 . 2 .]" 2
120 2 28 LEU HG 2 69 CYS QB 3.924 . 4.387 4.311 3.625 4.465 0.078 13 0 "[ . 1 . 2 .]" 2
121 1 28 LEU HG 1 32 GLU HB2 3.128 . 4.134 4.030 2.509 4.331 0.197 15 0 "[ . 1 . 2 .]" 2
122 2 28 LEU HG 2 32 GLU HB2 3.128 . 4.134 4.028 2.507 4.330 0.196 15 0 "[ . 1 . 2 .]" 2
123 1 14 VAL QG 1 17 GLN QB . 2.702 6.107 3.709 2.646 4.273 0.055 16 0 "[ . 1 . 2 .]" 2
124 2 14 VAL QG 2 17 GLN QB . 2.702 6.107 3.705 2.635 4.249 0.067 16 0 "[ . 1 . 2 .]" 2
125 1 47 GLU QG 1 57 VAL MG2 5.559 2.224 6.671 4.696 3.074 6.434 . 0 0 "[ . 1 . 2 .]" 2
126 2 47 GLU QG 2 57 VAL MG2 5.559 2.224 6.671 4.695 3.084 6.425 . 0 0 "[ . 1 . 2 .]" 2
127 1 57 VAL MG2 1 80 MET QG 6.395 2.558 7.674 5.229 3.765 6.273 . 0 0 "[ . 1 . 2 .]" 2
128 2 57 VAL MG2 2 80 MET QG 6.395 2.558 7.674 5.231 3.769 6.272 . 0 0 "[ . 1 . 2 .]" 2
129 1 30 LYS QG 1 69 CYS QB 5.557 2.223 6.668 3.035 2.196 3.928 0.027 10 0 "[ . 1 . 2 .]" 2
130 2 30 LYS QG 2 69 CYS QB 5.557 2.223 6.668 3.034 2.199 3.927 0.024 10 0 "[ . 1 . 2 .]" 2
131 1 52 GLU QG 1 53 VAL MG2 4.787 . 5.793 3.720 3.271 4.772 . 0 0 "[ . 1 . 2 .]" 2
132 2 52 GLU QG 2 53 VAL MG2 4.787 . 5.793 3.719 3.257 4.773 . 0 0 "[ . 1 . 2 .]" 2
133 1 54 VAL QG 1 58 MET QG . . 3.596 2.412 2.108 2.934 . 0 0 "[ . 1 . 2 .]" 2
134 2 54 VAL QG 2 58 MET QG . . 3.596 2.411 2.100 2.931 . 0 0 "[ . 1 . 2 .]" 2
135 1 78 VAL MG2 1 79 ALA MB 7.110 2.844 8.532 4.586 4.373 4.993 . 0 0 "[ . 1 . 2 .]" 2
136 2 78 VAL MG2 2 79 ALA MB 7.110 2.844 8.532 4.585 4.372 4.995 . 0 0 "[ . 1 . 2 .]" 2
137 1 28 LEU QD 1 69 CYS QB . 2.522 5.720 3.197 2.518 3.743 0.003 1 0 "[ . 1 . 2 .]" 2
138 2 28 LEU QD 2 69 CYS QB . 2.522 5.720 3.197 2.511 3.744 0.010 1 0 "[ . 1 . 2 .]" 2
139 1 60 THR MG 1 61 LEU QD . 2.593 4.240 4.223 4.018 4.315 0.075 3 0 "[ . 1 . 2 .]" 2
140 2 60 THR MG 2 61 LEU QD . 2.593 4.240 4.223 4.014 4.310 0.070 3 0 "[ . 1 . 2 .]" 2
141 1 14 VAL MG1 1 36 LEU QD 5.549 2.220 6.659 2.657 2.159 3.997 0.061 17 0 "[ . 1 . 2 .]" 2
142 2 14 VAL MG1 2 36 LEU QD 5.549 2.220 6.659 2.656 2.159 4.002 0.060 17 0 "[ . 1 . 2 .]" 2
143 1 30 LYS QG 1 61 LEU QD . 2.137 4.919 3.109 2.378 4.300 . 0 0 "[ . 1 . 2 .]" 2
144 2 30 LYS QG 2 61 LEU QD . 2.137 4.919 3.111 2.380 4.298 . 0 0 "[ . 1 . 2 .]" 2
145 1 57 VAL QG 1 61 LEU QD . . 2.943 2.897 2.606 3.008 0.065 3 0 "[ . 1 . 2 .]" 2
146 2 57 VAL QG 2 61 LEU QD . . 2.943 2.898 2.599 3.008 0.064 3 0 "[ . 1 . 2 .]" 2
147 1 15 PHE QD 1 74 PHE QD 2.838 . 3.488 2.454 1.858 3.585 0.097 4 0 "[ . 1 . 2 .]" 2
148 2 15 PHE QD 2 74 PHE QD 2.838 . 3.488 2.464 1.871 3.588 0.100 4 0 "[ . 1 . 2 .]" 2
149 1 19 SER HB3 1 26 HIS HD2 4.213 . 5.056 3.950 2.244 4.942 . 0 0 "[ . 1 . 2 .]" 2
150 2 19 SER HB3 2 26 HIS HD2 4.213 . 5.056 3.951 2.235 4.938 . 0 0 "[ . 1 . 2 .]" 2
151 1 33 LEU QD 1 74 PHE QD 2.523 . 3.608 3.395 2.879 3.690 0.082 8 0 "[ . 1 . 2 .]" 2
152 2 33 LEU QD 2 74 PHE QD 2.523 . 3.608 3.390 2.881 3.687 0.080 8 0 "[ . 1 . 2 .]" 2
153 1 72 GLN H 1 72 GLN QB . . 2.326 2.299 1.929 2.499 0.174 6 0 "[ . 1 . 2 .]" 2
154 1 7 ALA H 1 80 MET ME 4.614 . 5.620 3.912 2.805 4.628 . 0 0 "[ . 1 . 2 .]" 2
155 1 81 ILE HB 1 83 THR H 3.372 . 4.378 4.460 4.341 4.611 0.233 18 0 "[ . 1 . 2 .]" 2
156 1 81 ILE MG 1 83 THR H 4.653 . 5.659 4.783 4.576 5.001 . 0 0 "[ . 1 . 2 .]" 2
157 1 81 ILE MD 1 83 THR H 4.758 . 5.764 5.566 4.898 6.045 0.280 10 0 "[ . 1 . 2 .]" 2
158 1 33 LEU QD 1 77 PHE QD 2.387 . 3.393 1.980 1.654 3.027 . 0 0 "[ . 1 . 2 .]" 2
159 1 8 VAL QG 1 15 PHE HZ 3.838 . 4.944 6.427 4.893 6.993 2.049 22 23 [*******-*1***********+**.] 2
160 1 14 VAL QG 1 18 TYR QD . . 3.529 2.066 1.745 2.928 0.088 16 0 "[ . 1 . 2 .]" 2
161 1 15 PHE HZ 1 80 MET ME 3.135 . 4.141 3.754 2.972 4.236 0.095 7 0 "[ . 1 . 2 .]" 2
162 1 37 ILE MD 1 77 PHE QD 4.988 . 5.994 2.642 2.040 3.536 . 0 0 "[ . 1 . 2 .]" 2
163 1 15 PHE HZ 1 89 PHE QB 2.102 . 3.308 4.506 2.228 8.486 5.179 22 17 "[***** ** 1* **-* *2*+* *]" 2
164 1 6 LYS QE 1 15 PHE HZ 1.997 . 3.003 4.496 2.228 8.389 5.386 22 17 "[***** ** 1* **-* *2*+* *]" 2
165 1 60 THR MG 1 77 PHE QD 2.052 . 3.058 1.853 1.735 2.033 . 0 0 "[ . 1 . 2 .]" 2
166 1 43 HIS HD2 1 44 PHE QB 4.706 . 5.712 5.646 5.439 5.790 0.079 23 0 "[ . 1 . 2 .]" 2
167 1 77 PHE HZ 1 81 ILE MG 4.063 . 5.069 3.854 2.319 4.896 . 0 0 "[ . 1 . 2 .]" 2
168 1 11 LEU QB 1 74 PHE QE . . 3.352 2.463 1.836 3.097 . 0 0 "[ . 1 . 2 .]" 2
169 1 15 PHE QE 1 74 PHE QB 3.314 . 4.320 1.823 1.621 2.442 . 0 0 "[ . 1 . 2 .]" 2
170 1 11 LEU QD 1 74 PHE QE 2.313 . 3.319 2.494 1.696 3.435 0.116 19 0 "[ . 1 . 2 .]" 2
171 1 15 PHE QE 1 75 MET ME 2.931 . 3.937 4.194 2.926 5.130 1.193 15 11 "[ - ** * * + *** * *.]" 2
172 1 74 PHE QD 1 75 MET QG 2.711 . 3.717 3.132 1.789 3.736 0.019 9 0 "[ . 1 . 2 .]" 2
173 1 14 VAL QG 1 74 PHE QD 7.015 2.806 8.418 3.746 3.076 4.752 . 0 0 "[ . 1 . 2 .]" 2
174 1 69 CYS HA 1 73 GLU HB3 3.862 . 4.668 2.593 2.061 3.850 . 0 0 "[ . 1 . 2 .]" 2
175 1 26 HIS HA 1 27 LYS QE 2.681 . 3.687 3.663 2.823 3.761 0.074 7 0 "[ . 1 . 2 .]" 2
176 1 43 HIS HA 1 46 GLU QB 4.382 . 4.702 3.987 3.602 4.455 . 0 0 "[ . 1 . 2 .]" 2
177 1 7 ALA HA 1 73 GLU QG 4.185 . 5.191 5.402 4.329 5.640 0.449 13 0 "[ . 1 . 2 .]" 2
178 1 33 LEU QD 1 74 PHE HA . . 4.110 2.483 1.835 3.003 . 0 0 "[ . 1 . 2 .]" 2
179 1 7 ALA HA 1 78 VAL QG 4.491 . 5.497 3.545 3.037 4.036 . 0 0 "[ . 1 . 2 .]" 2
180 1 76 ALA MB 1 77 PHE HA 4.464 . 5.470 3.753 3.658 3.847 . 0 0 "[ . 1 . 2 .]" 2
181 1 77 PHE HA 1 80 MET QG 5.307 2.123 6.368 3.546 2.164 4.294 . 0 0 "[ . 1 . 2 .]" 2
182 1 78 VAL QG 1 82 THR HB 4.194 . 5.200 4.132 3.174 5.014 . 0 0 "[ . 1 . 2 .]" 2
183 1 2 SER QB 1 79 ALA MB 4.155 . 5.161 3.775 3.368 4.086 . 0 0 "[ . 1 . 2 .]" 2
184 1 37 ILE MD 1 74 PHE HA 5.544 2.218 6.653 5.071 4.398 6.086 . 0 0 "[ . 1 . 2 .]" 2
185 1 77 PHE HA 1 81 ILE MD 5.954 2.382 7.145 4.463 3.498 5.264 . 0 0 "[ . 1 . 2 .]" 2
186 1 38 ASN HA 1 45 LEU QD 2.652 . 3.658 2.798 1.643 3.738 0.081 8 0 "[ . 1 . 2 .]" 2
187 1 46 GLU HA 1 48 ILE MG 3.266 . 4.272 3.922 3.310 4.320 0.048 19 0 "[ . 1 . 2 .]" 2
188 1 3 GLU HA 1 8 VAL QG 2.572 . 3.578 1.993 1.721 2.785 . 0 0 "[ . 1 . 2 .]" 2
189 1 3 GLU HA 1 28 LEU QB 4.950 . 5.956 3.774 3.053 4.477 . 0 0 "[ . 1 . 2 .]" 2
190 1 33 LEU HA 1 36 LEU QD 3.056 . 4.062 2.844 2.090 3.280 . 0 0 "[ . 1 . 2 .]" 2
191 1 28 LEU QD 1 33 LEU HA 2.352 . 3.358 2.884 1.825 3.389 0.030 2 0 "[ . 1 . 2 .]" 2
192 1 3 GLU HA 1 12 ILE MD 4.363 . 5.469 8.964 8.394 9.490 4.021 13 25 [************+-***********] 2
193 1 33 LEU HA 1 37 ILE MD 4.710 . 5.716 3.570 3.122 4.080 . 0 0 "[ . 1 . 2 .]" 2
194 1 20 GLY QA 1 75 MET QG 4.611 . 5.617 5.064 3.664 5.356 . 0 0 "[ . 1 . 2 .]" 2
195 1 83 THR HB 1 84 ALA MB 4.878 . 5.884 4.418 3.437 5.450 . 0 0 "[ . 1 . 2 .]" 2
196 1 75 MET ME 1 79 ALA HA 2.930 . 3.936 6.708 3.767 8.644 4.709 16 23 "[* ****** ******+******-**]" 2
197 1 42 SER HA 1 45 LEU QD 2.923 . 3.929 2.810 1.701 3.210 . 0 0 "[ . 1 . 2 .]" 2
198 1 23 GLY QA 1 24 ASP QB 3.651 . 4.657 4.098 3.500 4.617 . 0 0 "[ . 1 . 2 .]" 2
199 1 48 ILE MD 1 51 GLN HA 4.081 . 5.087 4.406 3.431 5.028 . 0 0 "[ . 1 . 2 .]" 2
200 1 53 VAL HA 1 56 LYS QG 3.713 . 4.719 3.574 2.152 4.341 . 0 0 "[ . 1 . 2 .]" 2
201 1 33 LEU QD 1 43 HIS QB 9.870 2.948 11.844 3.009 2.801 3.924 0.147 4 0 "[ . 1 . 2 .]" 2
202 1 28 LEU QD 1 74 PHE QB 3.702 . 4.708 2.476 1.746 3.342 0.098 13 0 "[ . 1 . 2 .]" 2
203 1 9 VAL HA 1 33 LEU QD 4.951 . 5.957 3.051 2.171 3.453 . 0 0 "[ . 1 . 2 .]" 2
204 1 14 VAL QG 1 15 PHE HA 5.506 2.202 6.607 3.471 3.107 4.207 . 0 0 "[ . 1 . 2 .]" 2
205 1 34 LYS HA 1 37 ILE MD 3.743 . 4.749 3.472 1.853 4.501 . 0 0 "[ . 1 . 2 .]" 2
206 1 9 VAL HA 1 12 ILE MG 3.329 . 3.607 2.104 1.712 2.683 . 0 0 "[ . 1 . 2 .]" 2
207 1 12 ILE HA 1 75 MET ME 3.990 . 4.996 4.749 3.416 5.546 0.550 9 1 "[ . +1 . 2 .]" 2
208 1 43 HIS QB 1 46 GLU QB 4.053 . 5.059 5.037 4.738 5.178 0.119 10 0 "[ . 1 . 2 .]" 2
209 1 83 THR HA 1 84 ALA MB 4.802 . 5.808 4.906 4.696 5.000 . 0 0 "[ . 1 . 2 .]" 2
210 1 44 PHE QB 1 45 LEU QD 5.092 2.037 6.111 4.492 4.258 5.504 . 0 0 "[ . 1 . 2 .]" 2
211 1 44 PHE QB 1 81 ILE MG 3.123 . 4.129 3.791 2.714 4.341 0.212 18 0 "[ . 1 . 2 .]" 2
212 1 26 HIS QB 1 34 LYS HD3 5.538 2.215 6.646 5.164 3.522 6.678 0.033 21 0 "[ . 1 . 2 .]" 2
213 1 36 LEU QD 1 74 PHE QB 5.196 2.078 6.235 2.607 2.050 3.324 0.028 19 0 "[ . 1 . 2 .]" 2
214 1 26 HIS QB 1 33 LEU QD 2.586 . 3.377 2.332 1.824 2.964 . 0 0 "[ . 1 . 2 .]" 2
215 1 36 LEU QD 1 37 ILE HA 2.513 . 3.519 3.630 3.543 3.879 0.359 21 0 "[ . 1 . 2 .]" 2
216 1 11 LEU QD 1 15 PHE HB2 4.161 . 5.167 4.436 4.030 4.881 . 0 0 "[ . 1 . 2 .]" 2
217 1 27 LYS QB 1 27 LYS QE 5.881 2.353 7.058 3.331 2.307 3.693 0.046 12 0 "[ . 1 . 2 .]" 2
218 1 69 CYS QB 1 73 GLU HB3 3.682 . 4.688 3.368 1.860 4.707 0.019 12 0 "[ . 1 . 2 .]" 2
219 1 6 LYS QE 1 12 ILE MG 4.977 . 5.983 4.622 4.203 4.954 . 0 0 "[ . 1 . 2 .]" 2
220 1 13 ASP QB 1 61 LEU QD 3.742 . 4.748 3.046 1.842 4.129 . 0 0 "[ . 1 . 2 .]" 2
221 1 13 ASP QB 1 14 VAL QG 2.881 . 3.887 2.898 2.500 3.270 . 0 0 "[ . 1 . 2 .]" 2
222 1 10 ALA MB 1 13 ASP QB 4.341 . 5.347 3.835 3.412 4.295 . 0 0 "[ . 1 . 2 .]" 2
223 1 6 LYS QE 1 81 ILE MG 5.975 2.390 7.170 3.764 2.673 4.680 . 0 0 "[ . 1 . 2 .]" 2
224 1 37 ILE MD 1 77 PHE QB 4.226 . 5.232 4.206 3.220 5.013 . 0 0 "[ . 1 . 2 .]" 2
225 1 77 PHE QB 1 81 ILE MD 5.410 2.164 6.492 4.408 3.606 4.865 . 0 0 "[ . 1 . 2 .]" 2
226 1 39 ASN QB 1 40 GLU QB 3.470 . 4.477 3.752 2.969 4.221 . 0 0 "[ . 1 . 2 .]" 2
227 1 77 PHE QB 1 78 VAL QG 6.196 2.478 7.435 4.185 3.990 4.372 . 0 0 "[ . 1 . 2 .]" 2
228 1 4 LEU QD 1 39 ASN QB 4.782 . 5.788 13.770 11.377 15.377 9.588 8 25 [**-****+*****************] 2
229 1 33 LEU QD 1 77 PHE QB . 2.343 4.326 2.412 2.210 2.902 0.134 16 0 "[ . 1 . 2 .]" 2
230 1 36 LEU QD 1 39 ASN QB 4.235 . 5.241 4.531 3.457 5.131 . 0 0 "[ . 1 . 2 .]" 2
231 1 46 GLU QB 1 49 LYS QE 2.164 . 3.170 2.084 1.777 2.874 . 0 0 "[ . 1 . 2 .]" 2
232 1 18 TYR HB3 1 36 LEU QD 2.680 . 3.686 2.943 2.338 3.778 0.092 21 0 "[ . 1 . 2 .]" 2
233 1 18 TYR HB3 1 28 LEU QD 1.960 . 2.966 1.780 1.592 2.116 . 0 0 "[ . 1 . 2 .]" 2
234 1 30 LYS QG 1 32 GLU HB2 6.331 2.532 7.597 4.041 2.411 6.091 0.121 9 0 "[ . 1 . 2 .]" 2
235 1 38 ASN QB 1 45 LEU QD 4.839 . 5.845 2.035 1.864 4.034 0.072 12 0 "[ . 1 . 2 .]" 2
236 1 5 GLU QG 1 41 LEU QD 2.890 . 3.896 13.857 12.187 15.244 11.348 19 25 [**-***************+******] 2
237 1 3 GLU QG 1 28 LEU QB 4.253 . 5.259 4.654 3.539 5.358 0.098 12 0 "[ . 1 . 2 .]" 2
238 1 29 LYS QB 1 29 LYS QE 4.050 . 5.056 2.593 1.904 3.612 . 0 0 "[ . 1 . 2 .]" 2
239 1 4 LEU QD 1 40 GLU QB 4.223 . 5.229 11.231 9.576 12.832 7.604 8 25 [**-****+*****************] 2
240 1 8 VAL HB 1 69 CYS QB 3.388 . 4.394 2.963 1.858 3.619 . 0 0 "[ . 1 . 2 .]" 2
241 1 8 VAL HB 1 53 VAL QG 2.449 . 3.455 2.979 2.519 3.244 . 0 0 "[ . 1 . 2 .]" 2
242 1 5 GLU QB 1 36 LEU QD 4.526 . 5.532 4.112 3.884 4.259 . 0 0 "[ . 1 . 2 .]" 2
243 1 4 LEU QD 1 5 GLU QB 2.981 . 3.987 3.952 2.402 4.823 0.836 13 11 "[ ** * -1 *+*. * ** *.]" 2
244 1 33 LEU QB 1 61 LEU QD 3.012 . 4.018 2.325 1.779 2.886 . 0 0 "[ . 1 . 2 .]" 2
245 1 3 GLU QB 1 76 ALA MB 3.920 . 4.926 3.580 2.362 4.453 . 0 0 "[ . 1 . 2 .]" 2
246 1 5 GLU QB 1 49 LYS QG 4.108 . 5.114 3.025 1.654 4.527 . 0 0 "[ . 1 . 2 .]" 2
247 1 14 VAL HB 1 83 THR MG 2.548 . 3.554 4.261 3.077 5.793 2.239 10 12 "[ * *- *+ ** * ** * *]" 2
248 1 3 GLU QB 1 80 MET QG 2.767 . 3.773 2.096 1.862 2.454 . 0 0 "[ . 1 . 2 .]" 2
249 1 17 GLN QB 1 21 ARG QB 1.679 . 2.685 2.777 2.635 2.985 0.300 18 0 "[ . 1 . 2 .]" 2
250 1 33 LEU QB 1 69 CYS QB 4.115 . 5.121 3.525 1.803 4.670 . 0 0 "[ . 1 . 2 .]" 2
251 1 28 LEU QD 1 32 GLU QG 3.233 . 4.239 3.189 2.250 3.821 . 0 0 "[ . 1 . 2 .]" 2
252 1 5 GLU QB 1 6 LYS QG 3.608 . 4.614 3.007 2.622 3.792 . 0 0 "[ . 1 . 2 .]" 2
253 1 3 GLU QB 1 4 LEU QD 6.094 2.438 7.313 2.922 2.381 3.747 0.057 8 0 "[ . 1 . 2 .]" 2
254 1 22 GLU QB 1 54 VAL QG 4.282 . 5.288 2.985 2.483 3.341 . 0 0 "[ . 1 . 2 .]" 2
255 1 4 LEU QB 1 14 VAL QG 2.562 . 3.568 9.699 8.235 10.861 7.293 16 25 [**-************+*********] 2
256 1 41 LEU QB 1 44 PHE QB . . 4.021 2.706 1.999 3.763 . 0 0 "[ . 1 . 2 .]" 2
257 1 6 LYS QD 1 70 ASP HB3 3.502 . 4.508 4.518 4.198 4.640 0.131 25 0 "[ . 1 . 2 .]" 2
258 1 29 LYS QB 1 32 GLU HB2 4.277 . 5.283 3.363 2.350 4.465 . 0 0 "[ . 1 . 2 .]" 2
259 1 7 ALA MB 1 11 LEU QD 2.135 . 3.141 1.906 1.452 2.550 . 0 0 "[ . 1 . 2 .]" 2
260 1 7 ALA MB 1 79 ALA MB 2.381 . 3.387 3.607 2.478 4.022 0.635 24 7 "[* . 1* * .* -2 +*]" 2
261 1 36 LEU QD 1 78 VAL HB 1.626 . 2.632 2.722 2.641 2.974 0.342 21 0 "[ . 1 . 2 .]" 2
262 1 25 LYS HB3 1 58 MET ME 4.911 . 5.917 5.084 3.652 5.930 0.013 14 0 "[ . 1 . 2 .]" 2
263 1 79 ALA MB 1 80 MET ME 5.709 2.284 6.851 5.121 3.606 6.421 . 0 0 "[ . 1 . 2 .]" 2
264 1 75 MET QB 1 75 MET ME 1.940 . 2.946 2.301 1.725 3.514 0.568 21 1 "[ . 1 . 2+ .]" 2
265 1 73 GLU HG3 1 76 ALA MB 3.985 . 4.991 4.925 3.689 5.239 0.247 25 0 "[ . 1 . 2 .]" 2
266 1 10 ALA MB 1 14 VAL QG 4.261 . 5.267 3.405 2.836 3.946 . 0 0 "[ . 1 . 2 .]" 2
267 1 14 VAL QG 1 36 LEU QD 2.732 . 3.738 2.211 1.762 2.661 . 0 0 "[ . 1 . 2 .]" 2
268 1 8 VAL QG 1 36 LEU QD 2.670 . 3.676 2.211 1.762 2.660 . 0 0 "[ . 1 . 2 .]" 2
269 1 53 VAL QG 1 57 VAL QG 1.994 . 3.000 1.707 1.565 2.807 . 0 0 "[ . 1 . 2 .]" 2
270 1 8 VAL QG 1 79 ALA MB 4.693 . 5.699 7.316 6.579 8.299 2.600 25 25 [*******-****************+] 2
271 1 9 VAL QG 1 12 ILE MG 2.531 . 3.537 3.178 2.843 3.547 0.011 16 0 "[ . 1 . 2 .]" 2
272 1 30 LYS QG 1 69 CYS QB 5.557 2.223 6.669 2.490 2.180 3.325 0.043 10 0 "[ . 1 . 2 .]" 2
273 1 37 ILE MG 1 57 VAL QG 4.902 . 5.908 3.210 2.540 3.972 . 0 0 "[ . 1 . 2 .]" 2
274 1 48 ILE HG13 1 48 ILE MG 1.538 . 2.544 2.343 2.167 2.448 . 0 0 "[ . 1 . 2 .]" 2
275 1 33 LEU QD 1 37 ILE MD 3.167 . 4.173 2.476 1.673 3.628 . 0 0 "[ . 1 . 2 .]" 2
276 1 52 GLU QG 1 53 VAL QG 3.451 . 4.457 3.627 3.230 4.292 . 0 0 "[ . 1 . 2 .]" 2
277 1 9 VAL QG 1 13 ASP QB 4.637 . 5.643 4.145 3.531 4.989 . 0 0 "[ . 1 . 2 .]" 2
278 1 7 ALA MB 1 11 LEU QD 1.715 . 2.721 2.907 2.180 3.568 0.847 21 7 "[** *. 1- . * 2+ * .]" 2
279 1 10 ALA MB 1 11 LEU QD 2.036 . 3.042 2.843 1.798 3.217 0.174 5 0 "[ . 1 . 2 .]" 2
280 1 8 VAL QG 1 75 MET ME 1.736 . 2.742 1.896 1.474 2.687 . 0 0 "[ . 1 . 2 .]" 2
281 1 11 LEU QD 1 75 MET QG 4.247 . 5.253 2.300 1.725 3.594 . 0 0 "[ . 1 . 2 .]" 2
282 1 8 VAL QG 1 79 ALA MB 4.675 . 5.681 4.245 3.303 4.797 . 0 0 "[ . 1 . 2 .]" 2
283 1 8 VAL QG 1 12 ILE MG 2.602 . 3.608 2.634 1.930 3.287 . 0 0 "[ . 1 . 2 .]" 2
284 1 25 LYS QG 1 60 THR MG 3.824 . 4.830 3.730 3.003 4.411 . 0 0 "[ . 1 . 2 .]" 2
285 1 33 LEU QD 1 69 CYS QB 5.546 2.218 6.655 2.499 2.182 3.347 0.036 10 0 "[ . 1 . 2 .]" 2
286 1 33 LEU QD 1 34 LYS HD3 2.170 . 3.176 3.145 2.882 3.282 0.105 15 0 "[ . 1 . 2 .]" 2
287 1 4 LEU QD 1 33 LEU QD 3.994 . 5.000 8.141 6.873 9.125 4.125 8 25 [**-****+*****************] 2
288 1 33 LEU QD 1 61 LEU QD 2.161 . 3.167 2.109 1.578 3.176 0.009 10 0 "[ . 1 . 2 .]" 2
289 1 36 LEU QB 1 36 LEU QD 1.131 . 2.137 1.625 1.572 1.706 . 0 0 "[ . 1 . 2 .]" 2
290 1 4 LEU QD 1 37 ILE MD 1.154 . 2.160 1.693 1.376 2.153 . 0 0 "[ . 1 . 2 .]" 2
291 1 4 LEU QD 1 14 VAL QG 2.740 . 3.746 8.323 6.005 9.778 6.032 8 25 [**-****+*****************] 2
292 1 41 LEU QD 1 44 PHE QB 3.573 . 4.579 3.574 2.267 4.345 . 0 0 "[ . 1 . 2 .]" 2
293 1 8 VAL QG 1 41 LEU QD 1.835 . 2.841 9.531 8.643 10.684 7.843 13 25 [*****-******+************] 2
294 1 78 VAL QG 1 79 ALA MB 3.948 . 4.954 2.677 2.507 2.923 . 0 0 "[ . 1 . 2 .]" 2
295 1 75 MET ME 1 78 VAL QG 2.246 . 3.252 3.878 1.705 4.905 1.653 25 17 "[* ***-* *** *.* **** *+]" 2
296 1 28 LEU QB 1 28 LEU QD . . 2.566 1.838 1.685 2.062 . 0 0 "[ . 1 . 2 .]" 2
297 1 28 LEU QD 1 77 PHE QB 4.408 . 5.414 3.513 3.050 3.830 . 0 0 "[ . 1 . 2 .]" 2
298 1 15 PHE HB3 1 28 LEU QD 4.270 . 5.276 3.505 3.064 3.732 . 0 0 "[ . 1 . 2 .]" 2
299 1 28 LEU QD 1 32 GLU QG 5.458 2.183 6.549 2.892 2.225 3.251 . 0 0 "[ . 1 . 2 .]" 2
300 1 28 LEU QD 1 32 GLU HB2 3.305 . 4.311 2.294 1.660 3.800 . 0 0 "[ . 1 . 2 .]" 2
301 1 37 ILE MD 1 37 ILE MG 2.140 . 3.146 2.525 1.720 3.226 0.080 4 0 "[ . 1 . 2 .]" 2
302 1 28 LEU QD 1 33 LEU QD 2.431 . 3.437 2.133 1.653 2.940 . 0 0 "[ . 1 . 2 .]" 2
303 1 34 LYS QB 1 61 LEU QD 3.762 . 4.768 3.243 2.159 4.004 . 0 0 "[ . 1 . 2 .]" 2
304 1 14 VAL QG 1 36 LEU QD 2.866 . 3.872 2.606 2.150 3.271 . 0 0 "[ . 1 . 2 .]" 2
305 1 8 VAL QG 1 78 VAL QG 4.819 . 5.825 6.260 5.636 6.986 1.161 13 10 "[ * * *1 +*. ** -**]" 2
306 1 9 VAL HB 1 12 ILE MG 3.670 . 4.676 4.610 4.164 4.919 0.243 16 0 "[ . 1 . 2 .]" 2
307 1 15 PHE HZ 1 70 ASP HA 2.733 . 3.739 3.122 2.081 3.776 0.037 7 0 "[ . 1 . 2 .]" 2
308 1 15 PHE HZ 1 27 LYS HA 3.379 . 4.485 4.199 3.450 4.696 0.210 19 0 "[ . 1 . 2 .]" 2
309 1 15 PHE HZ 1 17 GLN HA 4.000 . 5.006 2.941 2.555 3.351 . 0 0 "[ . 1 . 2 .]" 2
310 1 15 PHE HZ 1 18 TYR HA 2.712 . 3.718 2.432 1.725 2.565 . 0 0 "[ . 1 . 2 .]" 2
311 1 60 THR HB 1 77 PHE QD 3.722 . 4.728 2.399 1.854 3.219 . 0 0 "[ . 1 . 2 .]" 2
312 1 15 PHE HZ 1 74 PHE HA 5.640 2.256 6.767 3.839 3.383 4.473 . 0 0 "[ . 1 . 2 .]" 2
313 1 15 PHE HZ 1 83 THR HA 3.783 . 4.789 3.448 3.097 3.593 . 0 0 "[ . 1 . 2 .]" 2
314 1 18 TYR QE 1 36 LEU HA 3.960 . 4.966 2.048 1.799 3.108 . 0 0 "[ . 1 . 2 .]" 2
315 1 44 PHE HA 1 45 LEU HA 5.492 2.197 6.591 4.960 4.912 5.004 . 0 0 "[ . 1 . 2 .]" 2
316 1 35 GLU HA 1 39 ASN HA 4.254 . 5.260 5.232 4.680 5.388 0.128 12 0 "[ . 1 . 2 .]" 2
317 1 62 ASP HA 1 63 SER QB 4.881 . 5.887 5.375 4.912 5.632 . 0 0 "[ . 1 . 2 .]" 2
318 1 20 GLY QA 1 36 LEU HA 4.113 . 5.119 4.212 4.048 4.348 . 0 0 "[ . 1 . 2 .]" 2
319 1 53 VAL HA 1 56 LYS HA 4.181 . 5.187 4.908 4.604 5.261 0.074 11 0 "[ . 1 . 2 .]" 2
320 1 27 LYS HA 1 70 ASP HB2 4.569 . 5.575 4.495 2.504 5.466 . 0 0 "[ . 1 . 2 .]" 2
321 1 41 LEU HA 1 43 HIS QB 2.849 . 3.905 3.732 3.461 3.955 0.050 22 0 "[ . 1 . 2 .]" 2
322 1 5 GLU HA 1 79 ALA HA 7.353 2.941 8.823 10.478 9.629 11.069 2.245 14 25 [*******-*****+***********] 2
323 1 26 HIS QB 1 92 GLU HA 3.401 . 4.407 5.396 2.073 8.736 4.329 2 10 "[ + ** 1** .*** 2 -*.]" 2
324 1 26 HIS QB 1 82 THR HA 7.580 3.032 9.096 4.263 3.689 4.660 . 0 0 "[ . 1 . 2 .]" 2
325 1 15 PHE HB3 1 70 ASP HA 4.318 . 5.324 3.932 3.564 4.387 . 0 0 "[ . 1 . 2 .]" 2
326 1 43 HIS HA 1 49 LYS QE 3.050 . 4.056 3.320 1.925 4.084 0.027 24 0 "[ . 1 . 2 .]" 2
327 1 11 LEU HA 1 17 GLN QG 1.429 . 2.435 2.366 2.228 2.469 0.034 1 0 "[ . 1 . 2 .]" 2
328 1 15 PHE HA 1 18 TYR QB 1.424 . 2.430 2.172 1.818 2.444 0.015 9 0 "[ . 1 . 2 .]" 2
329 1 11 LEU QB 1 12 ILE HA 3.962 . 4.968 3.835 3.470 4.070 . 0 0 "[ . 1 . 2 .]" 2
330 1 28 LEU HA 1 32 GLU HB2 4.920 . 5.926 3.205 2.375 3.606 . 0 0 "[ . 1 . 2 .]" 2
331 1 14 VAL HA 1 17 GLN QB 2.935 . 3.941 3.121 2.445 3.706 . 0 0 "[ . 1 . 2 .]" 2
332 1 8 VAL HB 1 66 ASP HA 3.114 . 4.120 4.235 3.542 4.624 0.504 23 1 "[ . 1 . 2 + .]" 2
333 1 14 VAL HA 1 14 VAL HB 2.207 . 3.213 3.011 2.453 3.042 . 0 0 "[ . 1 . 2 .]" 2
334 1 17 GLN HA 1 17 GLN QB 1.466 . 2.472 2.156 2.104 2.279 . 0 0 "[ . 1 . 2 .]" 2
335 1 51 GLN HA 1 51 GLN QB 2.506 . 3.512 2.167 1.920 2.384 . 0 0 "[ . 1 . 2 .]" 2
336 1 5 GLU QB 1 40 GLU HA 3.525 . 4.531 18.555 17.574 19.657 15.125 19 25 [*-****************+******] 2
337 1 6 LYS QD 1 24 ASP HA 3.526 . 4.732 4.631 4.103 4.799 0.066 14 0 "[ . 1 . 2 .]" 2
338 1 52 GLU HA 1 56 LYS QD 3.455 . 4.461 3.903 3.512 4.565 0.104 13 0 "[ . 1 . 2 .]" 2
339 1 6 LYS QD 1 70 ASP HA 3.910 . 4.916 3.532 3.022 4.088 . 0 0 "[ . 1 . 2 .]" 2
340 1 75 MET QB 1 76 ALA HA 4.241 . 5.247 3.975 3.834 4.281 . 0 0 "[ . 1 . 2 .]" 2
341 1 29 LYS QB 1 68 GLU HA 5.762 2.305 6.914 4.980 3.887 6.700 . 0 0 "[ . 1 . 2 .]" 2
342 1 20 GLY QA 1 21 ARG QG 4.388 . 4.479 4.135 3.314 4.489 0.010 2 0 "[ . 1 . 2 .]" 2
343 1 27 LYS QD 1 70 ASP HA 4.652 . 5.658 4.520 3.112 5.655 . 0 0 "[ . 1 . 2 .]" 2
344 1 25 LYS HB2 1 69 CYS HA 6.044 2.418 7.253 5.591 3.799 6.527 . 0 0 "[ . 1 . 2 .]" 2
345 1 79 ALA MB 1 82 THR HB 5.130 2.052 6.156 4.118 3.507 4.540 . 0 0 "[ . 1 . 2 .]" 2
346 1 27 LYS QG 1 70 ASP HA 4.129 . 5.135 2.739 2.112 3.687 . 0 0 "[ . 1 . 2 .]" 2
347 1 10 ALA HA 1 14 VAL QG 4.225 . 5.231 4.126 3.325 4.619 . 0 0 "[ . 1 . 2 .]" 2
348 1 9 VAL HA 1 9 VAL QG 2.816 . 3.822 2.070 1.966 2.165 . 0 0 "[ . 1 . 2 .]" 2
349 1 14 VAL HA 1 14 VAL QG 2.027 . 3.033 2.098 1.957 2.309 . 0 0 "[ . 1 . 2 .]" 2
350 1 7 ALA HA 1 11 LEU QD 3.236 . 4.242 3.895 3.233 4.470 0.228 4 0 "[ . 1 . 2 .]" 2
351 1 6 LYS HA 1 8 VAL QG 4.193 . 5.199 4.502 3.789 4.853 . 0 0 "[ . 1 . 2 .]" 2
352 1 5 GLU HA 1 8 VAL QG 2.731 . 3.737 2.622 2.239 3.411 . 0 0 "[ . 1 . 2 .]" 2
353 1 82 THR MG 1 83 THR HA 5.132 2.053 6.158 3.720 3.127 5.065 . 0 0 "[ . 1 . 2 .]" 2
354 1 33 LEU QD 1 60 THR HB 4.227 . 5.233 4.126 3.602 4.456 . 0 0 "[ . 1 . 2 .]" 2
355 1 36 LEU HA 1 36 LEU HG 1.728 . 2.734 2.048 1.947 2.536 . 0 0 "[ . 1 . 2 .]" 2
356 1 30 LYS HA 1 33 LEU QD 3.145 . 4.151 2.943 2.180 4.093 . 0 0 "[ . 1 . 2 .]" 2
357 1 4 LEU QD 1 40 GLU HA 3.762 . 4.768 4.325 3.501 4.682 . 0 0 "[ . 1 . 2 .]" 2
358 1 4 LEU QD 1 38 ASN HA 2.218 . 3.224 2.680 1.639 3.274 0.050 12 0 "[ . 1 . 2 .]" 2
359 1 28 LEU QD 1 33 LEU HA 1.915 . 2.921 2.389 1.805 2.786 . 0 0 "[ . 1 . 2 .]" 2
360 1 75 MET HA 1 78 VAL QG 4.124 . 5.130 1.774 1.687 1.990 . 0 0 "[ . 1 . 2 .]" 2
361 1 28 LEU QD 1 33 LEU HA 2.063 . 3.069 2.703 1.818 3.116 0.048 21 0 "[ . 1 . 2 .]" 2
362 1 30 LYS HA 1 61 LEU QD 3.638 . 4.644 2.517 1.774 3.057 . 0 0 "[ . 1 . 2 .]" 2
363 1 60 THR HB 1 61 LEU QD 4.898 . 5.904 4.691 3.079 5.149 . 0 0 "[ . 1 . 2 .]" 2
364 1 29 LYS H 1 33 LEU H 3.616 . 4.339 3.391 2.358 4.199 . 0 0 "[ . 1 . 2 .]" 2
365 1 30 LYS H 1 67 GLY H 4.383 . 5.260 4.924 3.629 5.462 0.203 12 0 "[ . 1 . 2 .]" 2
366 1 30 LYS H 1 69 CYS H 4.054 . 4.865 4.589 3.139 5.001 0.137 19 0 "[ . 1 . 2 .]" 2
367 1 38 ASN H 1 40 GLU H 4.686 . 5.623 4.143 3.764 4.819 . 0 0 "[ . 1 . 2 .]" 2
368 1 16 HIS H 1 17 GLN H 3.642 . 4.370 2.982 2.833 3.191 . 0 0 "[ . 1 . 2 .]" 2
369 1 15 PHE H 1 16 HIS H 3.315 . 3.978 2.907 2.671 3.035 . 0 0 "[ . 1 . 2 .]" 2
370 1 16 HIS H 1 18 TYR H 4.741 . 5.689 4.798 4.054 5.101 . 0 0 "[ . 1 . 2 .]" 2
371 1 49 LYS H 1 50 GLU H 3.003 . 3.653 2.763 2.527 2.917 . 0 0 "[ . 1 . 2 .]" 2
372 1 28 LEU H 1 69 CYS H 3.317 . 3.980 3.234 2.494 3.860 . 0 0 "[ . 1 . 2 .]" 2
373 1 51 GLN H 1 51 GLN QE 4.345 . 5.214 4.412 2.236 5.066 . 0 0 "[ . 1 . 2 .]" 2
374 1 30 LYS H 1 33 LEU H 4.664 . 5.596 4.683 4.387 5.012 . 0 0 "[ . 1 . 2 .]" 2
375 1 70 ASP H 1 73 GLU H 4.241 . 5.089 3.593 2.493 3.944 . 0 0 "[ . 1 . 2 .]" 2
376 1 78 VAL H 1 80 MET H 3.785 . 4.542 4.165 3.870 4.534 . 0 0 "[ . 1 . 2 .]" 2
377 1 77 PHE H 1 80 MET H 3.708 . 4.449 4.463 4.263 4.597 0.148 13 0 "[ . 1 . 2 .]" 2
378 1 60 THR H 1 61 LEU H 2.598 . 3.248 2.345 2.082 2.618 . 0 0 "[ . 1 . 2 .]" 2
379 1 18 TYR H 1 20 GLY H 4.016 . 4.819 4.061 3.764 4.729 . 0 0 "[ . 1 . 2 .]" 2
380 1 31 SER H 1 34 LYS H 4.477 . 5.373 4.754 4.409 5.156 . 0 0 "[ . 1 . 2 .]" 2
381 1 77 PHE H 1 81 ILE H 4.160 . 5.793 5.966 5.873 6.064 0.271 18 0 "[ . 1 . 2 .]" 2
382 1 56 LYS H 1 59 GLU H 4.854 . 5.825 4.436 4.195 4.910 . 0 0 "[ . 1 . 2 .]" 2
383 1 48 ILE H 1 49 LYS H 2.970 . 3.620 2.353 1.843 2.611 . 0 0 "[ . 1 . 2 .]" 2
384 1 76 ALA H 1 79 ALA H 3.828 . 4.593 4.575 4.407 4.844 0.251 13 0 "[ . 1 . 2 .]" 2
385 1 77 PHE QD 1 79 ALA H 6.778 2.711 8.133 5.168 4.429 5.440 . 0 0 "[ . 1 . 2 .]" 2
386 1 15 PHE H 1 18 TYR QD 4.148 . 4.977 4.381 3.872 4.886 . 0 0 "[ . 1 . 2 .]" 2
387 1 77 PHE QD 1 80 MET H 3.873 . 4.647 4.648 4.234 4.800 0.153 6 0 "[ . 1 . 2 .]" 2
388 1 15 PHE HZ 1 72 GLN H 4.032 . 5.038 4.953 4.178 5.177 0.139 7 0 "[ . 1 . 2 .]" 2
389 1 18 TYR QD 1 36 LEU H 3.072 . 4.162 4.073 3.638 4.698 0.536 3 1 "[ + . 1 . 2 .]" 2
390 1 15 PHE HZ 1 74 PHE H 4.260 . 5.112 2.920 2.418 4.255 . 0 0 "[ . 1 . 2 .]" 2
391 1 77 PHE QD 1 78 VAL H . . 3.331 3.134 2.142 3.416 0.085 7 0 "[ . 1 . 2 .]" 2
392 1 53 VAL H 1 56 LYS H 4.332 . 5.198 4.547 4.320 4.772 . 0 0 "[ . 1 . 2 .]" 2
393 1 29 LYS H 1 32 GLU H 4.155 . 4.986 3.093 2.435 3.543 . 0 0 "[ . 1 . 2 .]" 2
394 1 74 PHE QE 1 78 VAL H 4.870 . 5.844 5.042 4.279 5.971 0.127 2 0 "[ . 1 . 2 .]" 2
395 1 15 PHE QE 1 72 GLN H 3.584 . 4.901 4.879 4.388 5.145 0.244 22 0 "[ . 1 . 2 .]" 2
396 1 15 PHE QE 1 27 LYS H 2.905 . 4.155 4.058 3.672 4.277 0.122 25 0 "[ . 1 . 2 .]" 2
397 1 74 PHE QD 1 75 MET H 3.146 . 3.796 3.216 2.188 3.758 . 0 0 "[ . 1 . 2 .]" 2
398 1 18 TYR QE 1 36 LEU H 4.256 . 5.107 2.581 2.089 4.249 . 0 0 "[ . 1 . 2 .]" 2
399 1 18 TYR QE 1 39 ASN QD 3.710 . 4.452 3.717 2.169 4.473 0.020 16 0 "[ . 1 . 2 .]" 2
400 1 70 ASP HA 1 72 GLN H 4.366 . 5.239 5.211 4.245 5.518 0.278 3 0 "[ . 1 . 2 .]" 2
401 1 39 ASN H 1 40 GLU HA 4.863 . 5.836 5.171 5.063 5.334 . 0 0 "[ . 1 . 2 .]" 2
402 1 29 LYS HA 1 32 GLU H 3.904 . 4.684 4.665 4.369 4.742 0.057 16 0 "[ . 1 . 2 .]" 2
403 1 66 ASP HA 1 67 GLY H 4.048 . 4.857 2.626 2.199 3.610 . 0 0 "[ . 1 . 2 .]" 2
404 1 74 PHE HA 1 76 ALA H 2.962 . 4.168 4.190 4.055 4.316 0.147 24 0 "[ . 1 . 2 .]" 2
405 1 82 THR H 1 82 THR HB 2.698 . 3.348 2.536 2.093 3.343 . 0 0 "[ . 1 . 2 .]" 2
406 1 77 PHE HA 1 79 ALA H 3.370 . 4.044 4.056 3.717 4.207 0.164 24 0 "[ . 1 . 2 .]" 2
407 1 10 ALA H 1 10 ALA HA 2.701 . 3.351 2.896 2.846 2.953 . 0 0 "[ . 1 . 2 .]" 2
408 1 10 ALA HA 1 11 LEU H 3.091 . 3.741 3.567 3.514 3.604 . 0 0 "[ . 1 . 2 .]" 2
409 1 77 PHE HA 1 81 ILE H 3.581 . 4.297 3.891 3.519 4.100 . 0 0 "[ . 1 . 2 .]" 2
410 1 2 SER H 1 2 SER QB 4.556 . 5.467 2.313 1.960 2.860 . 0 0 "[ . 1 . 2 .]" 2
411 1 25 LYS HA 1 26 HIS H 3.666 . 4.399 3.552 3.487 3.607 . 0 0 "[ . 1 . 2 .]" 2
412 1 11 LEU HA 1 30 LYS H 4.684 . 5.621 4.233 2.731 5.085 . 0 0 "[ . 1 . 2 .]" 2
413 1 18 TYR HA 1 21 ARG HE 5.007 2.003 6.013 4.565 2.842 5.267 . 0 0 "[ . 1 . 2 .]" 2
414 1 52 GLU HA 1 54 VAL H 4.514 . 5.416 4.570 4.212 4.900 . 0 0 "[ . 1 . 2 .]" 2
415 1 4 LEU H 1 4 LEU HA 2.544 . 3.194 2.890 2.784 2.936 . 0 0 "[ . 1 . 2 .]" 2
416 1 19 SER HA 1 27 LYS H 4.438 . 5.326 3.160 2.386 3.893 . 0 0 "[ . 1 . 2 .]" 2
417 1 33 LEU HA 1 36 LEU H 3.269 . 3.923 3.426 3.112 3.708 . 0 0 "[ . 1 . 2 .]" 2
418 1 35 GLU HA 1 39 ASN H 3.736 . 4.484 3.634 3.242 4.399 . 0 0 "[ . 1 . 2 .]" 2
419 1 35 GLU HA 1 39 ASN QD 4.660 . 5.591 3.739 2.156 4.926 . 0 0 "[ . 1 . 2 .]" 2
420 1 76 ALA H 1 76 ALA HA 2.750 . 3.400 2.872 2.786 2.906 . 0 0 "[ . 1 . 2 .]" 2
421 1 73 GLU HA 1 77 PHE H 3.315 . 3.978 3.184 2.862 3.327 . 0 0 "[ . 1 . 2 .]" 2
422 1 79 ALA H 1 79 ALA HA 2.936 . 3.586 2.906 2.872 2.934 . 0 0 "[ . 1 . 2 .]" 2
423 1 63 SER QB 1 64 ASP H 3.042 . 3.692 2.723 2.046 3.360 . 0 0 "[ . 1 . 2 .]" 2
424 1 20 GLY QA 1 22 GLU H 3.832 . 4.598 2.989 2.466 3.304 . 0 0 "[ . 1 . 2 .]" 2
425 1 6 LYS HA 1 10 ALA H 3.269 . 4.323 4.431 4.339 4.524 0.200 24 0 "[ . 1 . 2 .]" 2
426 1 42 SER HA 1 43 HIS H 4.256 . 5.107 2.682 2.427 3.119 . 0 0 "[ . 1 . 2 .]" 2
427 1 42 SER H 1 42 SER HA 2.429 . 3.079 2.131 1.907 2.467 . 0 0 "[ . 1 . 2 .]" 2
428 1 17 GLN HA 1 18 TYR H 3.484 . 4.181 3.550 3.476 3.573 . 0 0 "[ . 1 . 2 .]" 2
429 1 14 VAL HA 1 72 GLN QE 3.883 . 4.661 4.846 4.305 9.727 5.066 13 1 "[ . 1 + . 2 .]" 2
430 1 30 LYS HA 1 34 LYS H 3.771 . 4.525 4.020 3.446 4.543 0.018 7 0 "[ . 1 . 2 .]" 2
431 1 8 VAL HA 1 10 ALA H 3.551 . 4.261 4.050 3.699 4.309 0.048 20 0 "[ . 1 . 2 .]" 2
432 1 7 ALA H 1 8 VAL HA 4.393 . 5.272 5.175 5.043 5.306 0.034 14 0 "[ . 1 . 2 .]" 2
433 1 51 GLN HA 1 54 VAL H 3.356 . 4.027 3.368 3.168 3.671 . 0 0 "[ . 1 . 2 .]" 2
434 1 57 VAL HA 1 59 GLU H 3.947 . 4.736 4.543 4.227 4.748 0.011 14 0 "[ . 1 . 2 .]" 2
435 1 19 SER HB2 1 27 LYS H 4.036 . 4.843 2.788 1.783 4.381 . 0 0 "[ . 1 . 2 .]" 2
436 1 15 PHE HA 1 18 TYR H 3.324 . 4.330 3.702 2.896 4.110 . 0 0 "[ . 1 . 2 .]" 2
437 1 34 LYS HA 1 37 ILE H 3.043 . 3.693 3.112 2.971 3.249 . 0 0 "[ . 1 . 2 .]" 2
438 1 34 LYS HA 1 38 ASN H 3.526 . 4.231 4.092 3.653 4.268 0.037 17 0 "[ . 1 . 2 .]" 2
439 1 72 GLN HA 1 76 ALA H 3.293 . 3.952 4.026 3.886 4.278 0.326 13 0 "[ . 1 . 2 .]" 2
440 1 72 GLN HA 1 75 MET H 3.303 . 3.963 3.796 3.346 4.111 0.148 13 0 "[ . 1 . 2 .]" 2
441 1 36 LEU HA 1 40 GLU H 4.075 . 4.890 4.805 3.897 5.125 0.235 21 0 "[ . 1 . 2 .]" 2
442 1 36 LEU HA 1 39 ASN QD 4.674 . 5.609 4.103 2.853 4.924 . 0 0 "[ . 1 . 2 .]" 2
443 1 44 PHE H 1 44 PHE QB 2.958 . 3.608 2.107 1.927 2.348 . 0 0 "[ . 1 . 2 .]" 2
444 1 78 VAL HA 1 82 THR H 3.712 . 4.455 3.924 3.223 4.497 0.043 13 0 "[ . 1 . 2 .]" 2
445 1 36 LEU H 1 37 ILE HA 5.482 2.193 6.578 5.478 5.288 5.663 . 0 0 "[ . 1 . 2 .]" 2
446 1 74 PHE H 1 74 PHE QB 2.374 . 3.024 2.021 1.911 2.174 . 0 0 "[ . 1 . 2 .]" 2
447 1 37 ILE HA 1 41 LEU H 3.022 . 3.672 3.361 2.530 3.710 0.038 7 0 "[ . 1 . 2 .]" 2
448 1 15 PHE HB2 1 16 HIS H 2.844 . 3.494 3.022 2.717 3.469 . 0 0 "[ . 1 . 2 .]" 2
449 1 69 CYS QB 1 70 ASP H 3.416 . 4.100 3.649 2.525 4.049 . 0 0 "[ . 1 . 2 .]" 2
450 1 28 LEU H 1 69 CYS QB 5.652 2.261 6.783 3.267 2.278 4.496 . 0 0 "[ . 1 . 2 .]" 2
451 1 25 LYS QE 1 30 LYS H 5.448 2.179 6.538 4.203 3.205 5.160 . 0 0 "[ . 1 . 2 .]" 2
452 1 29 LYS QE 1 32 GLU H 5.044 2.018 6.053 4.984 3.061 6.083 0.030 13 0 "[ . 1 . 2 .]" 2
453 1 27 LYS H 1 27 LYS QE 5.436 2.174 6.523 4.667 3.596 6.157 . 0 0 "[ . 1 . 2 .]" 2
454 1 6 LYS QE 1 7 ALA H 5.143 2.057 6.171 5.517 4.844 6.195 0.024 3 0 "[ . 1 . 2 .]" 2
455 1 10 ALA H 1 13 ASP QB 3.971 . 4.765 4.893 4.805 4.996 0.231 24 0 "[ . 1 . 2 .]" 2
456 1 12 ILE H 1 13 ASP QB 4.902 . 5.882 4.233 3.873 4.554 . 0 0 "[ . 1 . 2 .]" 2
457 1 56 LYS H 1 58 MET QG 4.431 . 5.317 5.255 5.087 5.360 0.043 4 0 "[ . 1 . 2 .]" 2
458 1 34 LYS QE 1 38 ASN QD 4.485 . 5.383 3.951 1.851 5.392 0.009 10 0 "[ . 1 . 2 .]" 2
459 1 6 LYS QE 1 9 VAL H 6.604 2.642 7.925 6.514 4.969 7.586 . 0 0 "[ . 1 . 2 .]" 2
460 1 6 LYS QE 1 35 GLU H 5.738 2.295 6.885 5.031 4.704 5.460 . 0 0 "[ . 1 . 2 .]" 2
461 1 84 ALA H 1 85 CYS QB 4.951 . 5.941 4.074 3.804 4.592 . 0 0 "[ . 1 . 2 .]" 2
462 1 76 ALA H 1 77 PHE QB 4.539 . 5.447 4.452 4.277 4.748 . 0 0 "[ . 1 . 2 .]" 2
463 1 30 LYS QE 1 31 SER H 7.355 2.942 8.826 5.137 3.128 6.242 . 0 0 "[ . 1 . 2 .]" 2
464 1 13 ASP QB 1 68 GLU H 4.282 . 5.138 4.257 2.634 5.211 0.073 12 0 "[ . 1 . 2 .]" 2
465 1 47 GLU H 1 49 LYS QE 4.593 . 5.512 4.344 3.489 4.761 . 0 0 "[ . 1 . 2 .]" 2
466 1 38 ASN QB 1 73 GLU H 3.228 . 3.978 3.964 3.576 4.158 0.180 17 0 "[ . 1 . 2 .]" 2
467 1 35 GLU H 1 38 ASN QB 7.265 2.906 8.718 4.636 3.980 5.365 . 0 0 "[ . 1 . 2 .]" 2
468 1 46 GLU H 1 49 LYS QE 3.161 . 3.811 3.746 3.447 3.865 0.053 21 0 "[ . 1 . 2 .]" 2
469 1 70 ASP HB3 1 72 GLN H 3.079 . 4.129 4.142 3.882 4.359 0.230 22 0 "[ . 1 . 2 .]" 2
470 1 24 ASP QB 1 27 LYS H 3.596 . 4.315 3.221 2.717 3.716 . 0 0 "[ . 1 . 2 .]" 2
471 1 24 ASP QB 1 26 HIS H 3.846 . 4.615 4.219 2.945 4.669 0.054 14 0 "[ . 1 . 2 .]" 2
472 1 54 VAL H 1 55 ASP HB3 4.395 . 5.274 4.385 4.053 4.542 . 0 0 "[ . 1 . 2 .]" 2
473 1 53 VAL H 1 55 ASP HB3 3.755 . 4.506 4.574 4.540 4.597 0.091 14 0 "[ . 1 . 2 .]" 2
474 1 61 LEU H 1 62 ASP QB 3.702 . 4.443 4.390 3.967 4.519 0.077 3 0 "[ . 1 . 2 .]" 2
475 1 10 ALA H 1 11 LEU QB 4.783 . 5.740 4.621 4.214 5.069 . 0 0 "[ . 1 . 2 .]" 2
476 1 5 GLU QG 1 8 VAL H 4.544 . 5.452 4.825 4.392 5.400 . 0 0 "[ . 1 . 2 .]" 2
477 1 29 LYS H 1 32 GLU HB2 3.367 . 4.041 1.909 1.816 2.392 . 0 0 "[ . 1 . 2 .]" 2
478 1 31 SER H 1 32 GLU HB2 4.497 . 5.396 4.727 4.270 5.251 . 0 0 "[ . 1 . 2 .]" 2
479 1 32 GLU HB2 1 34 LYS H 6.773 2.709 8.127 5.280 4.845 5.823 . 0 0 "[ . 1 . 2 .]" 2
480 1 3 GLU QG 1 71 PHE H 3.143 . 3.793 3.949 3.843 4.175 0.383 24 0 "[ . 1 . 2 .]" 2
481 1 72 GLN H 1 73 GLU HG3 3.697 . 4.636 4.079 3.624 4.841 0.204 24 0 "[ . 1 . 2 .]" 2
482 1 72 GLN QE 1 73 GLU HG3 3.313 . 4.044 3.185 2.122 3.998 . 0 0 "[ . 1 . 2 .]" 2
483 1 3 GLU H 1 3 GLU QG 2.869 . 3.519 2.479 1.945 3.461 . 0 0 "[ . 1 . 2 .]" 2
484 1 19 SER HB3 1 27 LYS H 4.341 . 5.209 2.860 1.793 4.205 . 0 0 "[ . 1 . 2 .]" 2
485 1 54 VAL H 1 57 VAL HB 3.733 . 4.479 4.465 4.253 4.555 0.075 20 0 "[ . 1 . 2 .]" 2
486 1 30 LYS H 1 30 LYS QB 2.887 . 3.537 2.492 2.059 2.939 . 0 0 "[ . 1 . 2 .]" 2
487 1 7 ALA H 1 8 VAL HB 3.485 . 4.182 4.052 3.810 4.213 0.032 16 0 "[ . 1 . 2 .]" 2
488 1 70 ASP H 1 73 GLU HB3 2.848 . 3.598 3.160 2.802 3.549 . 0 0 "[ . 1 . 2 .]" 2
489 1 52 GLU QG 1 56 LYS H 3.526 . 4.231 4.279 4.186 4.355 0.124 12 0 "[ . 1 . 2 .]" 2
490 1 8 VAL HB 1 21 ARG H 3.042 . 3.692 3.303 3.149 3.649 . 0 0 "[ . 1 . 2 .]" 2
491 1 35 GLU QB 1 39 ASN H 5.015 2.006 6.019 4.656 4.219 5.370 . 0 0 "[ . 1 . 2 .]" 2
492 1 30 LYS QB 1 67 GLY H 5.224 2.090 6.269 5.354 4.339 6.142 . 0 0 "[ . 1 . 2 .]" 2
493 1 45 LEU H 1 46 GLU QB 3.449 . 4.139 4.252 4.189 4.307 0.168 12 0 "[ . 1 . 2 .]" 2
494 1 3 GLU QB 1 61 LEU H 3.946 . 4.735 4.391 3.705 4.789 0.053 22 0 "[ . 1 . 2 .]" 2
495 1 3 GLU QB 1 79 ALA H 3.775 . 4.730 5.907 4.921 6.574 1.844 13 22 "[ *-******* *+**** *******]" 2
496 1 3 GLU QB 1 70 ASP H 3.529 . 4.235 3.693 2.877 4.359 0.124 11 0 "[ . 1 . 2 .]" 2
497 1 72 GLN QB 1 76 ALA H 4.764 . 5.716 4.901 4.661 5.443 . 0 0 "[ . 1 . 2 .]" 2
498 1 3 GLU QB 1 64 ASP H 3.836 . 4.603 4.471 3.463 5.165 0.562 15 1 "[ . 1 + 2 .]" 2
499 1 54 VAL H 1 54 VAL HB 2.519 . 3.169 2.325 2.057 2.630 . 0 0 "[ . 1 . 2 .]" 2
500 1 29 LYS H 1 32 GLU QG 3.816 . 4.580 2.927 1.834 3.943 . 0 0 "[ . 1 . 2 .]" 2
501 1 21 ARG QB 1 21 ARG HE 3.118 . 4.124 2.886 1.855 4.127 0.003 19 0 "[ . 1 . 2 .]" 2
502 1 41 LEU QB 1 43 HIS H 5.050 2.020 6.060 3.818 3.409 4.481 . 0 0 "[ . 1 . 2 .]" 2
503 1 41 LEU QB 1 44 PHE H 3.974 . 4.768 3.012 2.465 4.015 . 0 0 "[ . 1 . 2 .]" 2
504 1 75 MET QB 1 76 ALA H 2.716 . 3.366 2.772 2.545 3.432 0.066 13 0 "[ . 1 . 2 .]" 2
505 1 75 MET H 1 75 MET QB 2.661 . 3.311 2.234 1.907 2.756 . 0 0 "[ . 1 . 2 .]" 2
506 1 27 LYS H 1 27 LYS QB 2.903 . 3.553 2.569 2.301 2.706 . 0 0 "[ . 1 . 2 .]" 2
507 1 61 LEU QB 1 63 SER H 3.872 . 4.647 4.608 4.244 4.766 0.119 5 0 "[ . 1 . 2 .]" 2
508 1 29 LYS QB 1 31 SER H 2.842 . 3.492 2.627 2.133 3.218 . 0 0 "[ . 1 . 2 .]" 2
509 1 29 LYS QB 1 32 GLU H 3.062 . 3.712 2.674 2.286 3.395 . 0 0 "[ . 1 . 2 .]" 2
510 1 29 LYS QB 1 33 LEU H 3.483 . 4.180 4.194 3.976 4.296 0.116 4 0 "[ . 1 . 2 .]" 2
511 1 21 ARG HE 1 21 ARG QG 4.995 . 6.001 2.493 1.993 3.303 0.005 9 0 "[ . 1 . 2 .]" 2
512 1 27 LYS H 1 27 LYS QD 3.769 . 4.523 3.670 2.476 4.754 0.231 15 0 "[ . 1 . 2 .]" 2
513 1 25 LYS HB3 1 69 CYS H 4.185 . 5.022 3.208 2.131 4.017 . 0 0 "[ . 1 . 2 .]" 2
514 1 30 LYS QG 1 68 GLU H 4.882 . 5.859 5.101 3.755 5.895 0.036 9 0 "[ . 1 . 2 .]" 2
515 1 33 LEU HG 1 77 PHE H 6.868 2.747 8.241 6.332 5.227 7.324 . 0 0 "[ . 1 . 2 .]" 2
516 1 28 LEU QB 1 78 VAL H 3.366 . 4.039 4.032 3.608 4.174 0.135 15 0 "[ . 1 . 2 .]" 2
517 1 14 VAL H 1 14 VAL QG 2.405 . 3.055 1.978 1.634 2.390 . 0 0 "[ . 1 . 2 .]" 2
518 1 76 ALA MB 1 78 VAL H 3.417 . 4.100 4.270 4.179 4.357 0.257 9 0 "[ . 1 . 2 .]" 2
519 1 5 GLU H 1 8 VAL QG 3.373 . 4.047 4.342 3.866 5.417 1.370 21 7 "[ * .* * 1- ** 2+ .]" 2
520 1 72 GLN QE 1 76 ALA MB 4.334 . 5.201 3.965 2.467 5.202 0.001 10 0 "[ . 1 . 2 .]" 2
521 1 14 VAL QG 1 17 GLN QE 4.808 . 5.770 4.250 2.326 5.813 0.043 14 0 "[ . 1 . 2 .]" 2
522 1 7 ALA H 1 8 VAL QG 4.916 . 5.899 4.298 4.059 4.538 . 0 0 "[ . 1 . 2 .]" 2
523 1 14 VAL QG 1 15 PHE H 2.891 . 3.541 2.892 1.732 3.221 . 0 0 "[ . 1 . 2 .]" 2
524 1 8 VAL QG 1 82 THR H 5.173 2.069 6.208 11.789 10.735 13.015 6.807 25 25 [*-**********************+] 2
525 1 56 LYS H 1 57 VAL QG 3.664 . 4.397 4.184 3.883 4.373 . 0 0 "[ . 1 . 2 .]" 2
526 1 57 VAL QG 1 81 ILE H 4.612 . 5.534 4.230 3.895 4.601 . 0 0 "[ . 1 . 2 .]" 2
527 1 52 GLU H 1 53 VAL QG 3.619 . 4.343 4.088 3.758 4.372 0.028 23 0 "[ . 1 . 2 .]" 2
528 1 2 SER H 1 4 LEU QD 4.645 . 5.574 5.199 4.282 5.692 0.118 6 0 "[ . 1 . 2 .]" 2
529 1 7 ALA H 1 8 VAL QG 3.414 . 4.097 4.073 3.781 4.380 0.283 21 0 "[ . 1 . 2 .]" 2
530 1 11 LEU QD 1 15 PHE H 5.038 2.015 6.046 4.666 3.916 5.365 . 0 0 "[ . 1 . 2 .]" 2
531 1 54 VAL QG 1 55 ASP H 2.663 . 3.313 3.183 2.900 3.326 0.012 8 0 "[ . 1 . 2 .]" 2
532 1 11 LEU H 1 11 LEU QD 2.740 . 3.390 2.527 1.599 2.996 . 0 0 "[ . 1 . 2 .]" 2
533 1 54 VAL H 1 54 VAL QG 2.432 . 3.082 2.295 1.827 2.743 . 0 0 "[ . 1 . 2 .]" 2
534 1 11 LEU QD 1 85 CYS H 3.478 . 4.173 3.934 3.497 4.227 0.054 25 0 "[ . 1 . 2 .]" 2
535 1 11 LEU QD 1 79 ALA H 3.448 . 4.437 5.061 4.620 5.511 1.074 19 14 "[ * .** *1- * * * +*** **]" 2
536 1 25 LYS QG 1 64 ASP H 3.073 . 3.723 3.334 3.024 3.622 . 0 0 "[ . 1 . 2 .]" 2
537 1 57 VAL QG 1 61 LEU H 3.823 . 4.588 4.164 3.916 4.435 . 0 0 "[ . 1 . 2 .]" 2
538 1 57 VAL QG 1 60 THR H 4.268 . 5.121 4.663 4.422 5.047 . 0 0 "[ . 1 . 2 .]" 2
539 1 33 LEU QD 1 34 LYS H 4.050 . 4.860 3.720 2.864 3.951 . 0 0 "[ . 1 . 2 .]" 2
540 1 33 LEU QD 1 77 PHE H 3.794 . 4.553 3.993 3.539 4.375 . 0 0 "[ . 1 . 2 .]" 2
541 1 47 GLU H 1 48 ILE MG 4.144 . 4.973 4.089 3.772 4.429 . 0 0 "[ . 1 . 2 .]" 2
542 1 4 LEU QD 1 35 GLU H 4.070 . 4.884 3.984 3.796 4.107 . 0 0 "[ . 1 . 2 .]" 2
543 1 45 LEU QD 1 46 GLU H 3.311 . 3.973 3.975 3.254 4.069 0.096 17 0 "[ . 1 . 2 .]" 2
544 1 4 LEU QD 1 18 TYR H 3.838 . 4.844 2.921 2.377 3.194 . 0 0 "[ . 1 . 2 .]" 2
545 1 45 LEU H 1 45 LEU QD 2.495 . 3.145 3.230 3.172 3.481 0.335 8 0 "[ . 1 . 2 .]" 2
546 1 4 LEU QD 1 39 ASN H 3.409 . 4.091 3.840 3.613 3.973 . 0 0 "[ . 1 . 2 .]" 2
547 1 4 LEU QD 1 40 GLU H 3.779 . 4.535 3.674 3.280 3.892 . 0 0 "[ . 1 . 2 .]" 2
548 1 5 GLU H 1 36 LEU QD 4.246 . 5.095 10.000 9.145 10.437 5.342 9 25 [**-*****+****************] 2
549 1 36 LEU QD 1 82 THR H 3.969 . 4.763 3.274 2.680 3.947 . 0 0 "[ . 1 . 2 .]" 2
550 1 8 VAL H 1 36 LEU QD 3.804 . 4.565 7.867 7.297 8.313 3.748 19 25 [*******-**********+******] 2
551 1 28 LEU QD 1 32 GLU H 4.159 . 4.991 4.072 3.341 4.919 . 0 0 "[ . 1 . 2 .]" 2
552 1 28 LEU QD 1 29 LYS H 3.500 . 4.200 2.890 1.895 3.841 . 0 0 "[ . 1 . 2 .]" 2
553 1 28 LEU QD 1 33 LEU H 3.066 . 3.716 3.150 2.055 3.776 0.061 4 0 "[ . 1 . 2 .]" 2
554 1 75 MET H 1 78 VAL QG 4.120 . 4.943 3.833 3.610 4.142 . 0 0 "[ . 1 . 2 .]" 2
555 1 35 GLU H 1 37 ILE MD 4.704 . 5.645 5.130 4.396 5.724 0.079 2 0 "[ . 1 . 2 .]" 2
556 1 78 VAL QG 1 81 ILE H 4.284 . 5.140 4.275 4.018 4.956 . 0 0 "[ . 1 . 2 .]" 2
557 1 28 LEU QD 1 69 CYS H 4.391 . 5.269 4.823 3.981 5.347 0.078 17 0 "[ . 1 . 2 .]" 2
558 1 28 LEU H 1 28 LEU QD 3.733 . 4.480 3.189 1.854 3.806 . 0 0 "[ . 1 . 2 .]" 2
559 1 18 TYR H 1 28 LEU QD 3.881 . 4.657 4.276 4.009 4.610 . 0 0 "[ . 1 . 2 .]" 2
560 1 34 LYS H 1 61 LEU QD 2.937 2.448 3.587 3.183 2.424 3.622 0.035 14 0 "[ . 1 . 2 .]" 2
561 1 35 GLU H 1 36 LEU QD 4.462 . 5.354 4.667 4.169 4.905 . 0 0 "[ . 1 . 2 .]" 2
562 1 58 MET H 1 61 LEU QD 4.733 . 5.679 5.018 4.184 5.555 . 0 0 "[ . 1 . 2 .]" 2
563 1 15 PHE H 1 36 LEU QD 5.158 2.063 6.189 5.024 4.733 5.319 . 0 0 "[ . 1 . 2 .]" 2
564 1 33 LEU H 1 61 LEU QD 4.712 . 5.654 4.378 3.541 4.893 . 0 0 "[ . 1 . 2 .]" 2
565 1 10 ALA H 1 12 ILE QG 4.813 . 5.776 3.730 3.167 4.015 . 0 0 "[ . 1 . 2 .]" 2
566 1 53 VAL QG 1 80 MET HA 5.097 2.039 6.117 6.174 5.401 6.297 0.180 19 0 "[ . 1 . 2 .]" 2
567 1 15 PHE HA 1 15 PHE QE 2.343 . 3.749 3.776 2.694 4.013 0.263 17 0 "[ . 1 . 2 .]" 2
568 1 57 VAL QG 1 81 ILE MG 0.860 . 2.100 1.910 1.516 2.152 0.052 20 0 "[ . 1 . 2 .]" 2
569 1 37 ILE MD 1 81 ILE MG 3.885 . 4.891 3.800 3.152 4.907 0.015 10 0 "[ . 1 . 2 .]" 2
570 1 5 GLU HA 1 15 PHE HZ 3.333 . 4.339 4.071 3.337 4.771 0.432 10 0 "[ . 1 . 2 .]" 2
571 1 32 GLU H 1 33 LEU QB 3.478 . 4.173 4.216 4.131 4.300 0.127 14 0 "[ . 1 . 2 .]" 2
572 1 33 LEU QD 1 78 VAL QG 1.856 . 2.862 2.758 2.259 3.006 0.145 4 0 "[ . 1 . 2 .]" 2
573 1 6 LYS QE 1 83 THR HA 3.436 . 4.442 3.002 1.628 4.543 0.100 13 0 "[ . 1 . 2 .]" 2
574 1 33 LEU QD 1 78 VAL H 3.088 . 3.738 3.583 3.236 3.803 0.065 10 0 "[ . 1 . 2 .]" 2
575 1 39 ASN H 1 40 GLU QB 3.703 . 4.443 4.415 4.107 4.542 0.099 18 0 "[ . 1 . 2 .]" 2
576 1 4 LEU QD 1 74 PHE QE 2.394 . 3.400 8.960 6.833 10.830 7.430 8 25 [**-****+*****************] 2
577 1 3 GLU QG 1 10 ALA MB 4.244 . 5.250 7.522 5.719 8.867 3.618 3 24 [**+***********.*****-****] 2
578 1 48 ILE MD 1 51 GLN QB 3.692 . 4.698 4.286 2.572 4.739 0.041 14 0 "[ . 1 . 2 .]" 2
579 1 57 VAL QG 1 80 MET QB 3.891 . 4.897 4.328 3.938 4.792 . 0 0 "[ . 1 . 2 .]" 2
580 1 53 VAL QG 1 84 ALA MB 1.306 . 2.312 1.604 1.455 2.066 . 0 0 "[ . 1 . 2 .]" 2
581 1 5 GLU HA 1 41 LEU QD 2.155 . 3.161 3.796 3.196 4.695 1.534 3 16 "[**+*.* -** ** ** ** * *]" 2
582 1 32 GLU HB3 1 36 LEU QD 3.262 . 4.268 4.122 3.398 4.361 0.094 14 0 "[ . 1 . 2 .]" 2
583 1 4 LEU QD 1 78 VAL QG 3.567 . 4.573 6.966 5.289 8.293 3.721 8 25 [**-****+*****************] 2
584 1 49 LYS QD 1 50 GLU QG 4.141 . 5.147 5.046 4.373 5.246 0.099 7 0 "[ . 1 . 2 .]" 2
585 1 47 GLU QG 1 57 VAL QG 4.093 . 5.099 3.825 2.781 5.144 0.045 21 0 "[ . 1 . 2 .]" 2
586 1 57 VAL QG 1 80 MET QG 4.789 . 5.795 4.939 3.636 5.839 0.043 10 0 "[ . 1 . 2 .]" 2
587 1 8 VAL QG 1 78 VAL QG 1.889 . 2.895 3.195 2.267 4.068 1.173 13 7 "[ . * 1 + * ** *-]" 2
588 1 3 GLU QB 1 10 ALA MB 2.799 . 3.805 7.179 6.389 7.992 4.187 2 25 [*+******************-****] 2
589 1 14 VAL HA 1 72 GLN QE 3.887 . 4.664 4.845 4.305 9.711 5.047 13 1 "[ . 1 + . 2 .]" 2
590 1 15 PHE HZ 1 57 VAL HA 4.262 . 5.268 5.044 4.286 5.447 0.179 16 0 "[ . 1 . 2 .]" 2
591 1 44 PHE QB 1 57 VAL QG 2.875 . 3.881 3.868 3.299 4.042 0.162 21 0 "[ . 1 . 2 .]" 2
592 1 7 ALA H 1 33 LEU QD 3.847 . 4.853 4.844 3.522 5.305 0.452 17 0 "[ . 1 . 2 .]" 2
593 1 11 LEU QD 1 51 GLN QE 3.418 . 4.101 3.633 2.519 4.120 0.019 23 0 "[ . 1 . 2 .]" 2
594 1 12 ILE MG 1 19 SER HA 3.540 . 4.546 9.098 8.398 9.733 5.187 7 25 [******+-*****************] 2
595 1 30 LYS H 1 61 LEU QD 3.911 . 4.693 4.576 3.856 4.779 0.086 7 0 "[ . 1 . 2 .]" 2
596 1 11 LEU QD 1 84 ALA HA 3.527 . 4.533 4.586 4.304 4.718 0.186 18 0 "[ . 1 . 2 .]" 2
597 1 5 GLU QG 1 15 PHE H 2.873 . 3.523 3.548 2.974 3.716 0.193 12 0 "[ . 1 . 2 .]" 2
598 1 4 LEU QD 1 50 GLU H 3.028 . 3.678 3.908 3.836 3.953 0.275 14 0 "[ . 1 . 2 .]" 2
599 1 88 PHE QD 2 15 PHE HB2 2.809 . 3.459 3.308 3.140 3.707 0.248 22 0 "[ . 1 . 2 .]" 2
600 1 15 PHE HB2 2 88 PHE QD 2.809 . 3.459 3.288 3.167 3.699 0.240 22 0 "[ . 1 . 2 .]" 2
601 1 88 PHE QD 2 12 ILE HA 2.471 . 3.121 2.372 1.703 2.954 . 0 0 "[ . 1 . 2 .]" 2
602 1 12 ILE HA 2 88 PHE QD 2.471 . 3.121 2.363 1.699 3.044 . 0 0 "[ . 1 . 2 .]" 2
603 1 89 PHE QE 2 11 LEU QB 3.667 . 4.400 3.033 1.695 3.982 . 0 0 "[ . 1 . 2 .]" 2
604 1 11 LEU QB 2 89 PHE QE 3.667 . 4.400 3.029 1.809 4.015 . 0 0 "[ . 1 . 2 .]" 2
605 1 89 PHE QE 2 15 PHE HB2 3.125 . 3.775 2.864 1.984 3.539 . 0 0 "[ . 1 . 2 .]" 2
606 1 15 PHE HB2 2 89 PHE QE 3.125 . 3.775 2.838 1.855 3.535 . 0 0 "[ . 1 . 2 .]" 2
607 1 89 PHE QD 2 12 ILE MG 2.952 . 3.602 2.579 1.839 3.400 . 0 0 "[ . 1 . 2 .]" 2
608 1 12 ILE MG 2 89 PHE QD 2.952 . 3.602 2.586 1.837 3.395 . 0 0 "[ . 1 . 2 .]" 2
609 1 88 PHE QD 2 12 ILE HB 2.514 . 3.164 2.695 2.029 2.961 . 0 0 "[ . 1 . 2 .]" 2
610 1 12 ILE HB 2 88 PHE QD 2.514 . 3.164 2.736 2.030 3.065 . 0 0 "[ . 1 . 2 .]" 2
611 1 88 PHE QD 2 12 ILE MG 4.029 . 4.698 3.192 1.897 4.263 . 0 0 "[ . 1 . 2 .]" 2
612 1 12 ILE MG 2 88 PHE QD 4.029 . 4.698 3.248 1.907 4.179 . 0 0 "[ . 1 . 2 .]" 2
613 1 15 PHE QD 1 15 PHE QE 1.653 . 2.303 2.149 2.083 2.181 . 0 0 "[ . 1 . 2 .]" 2
614 1 15 PHE QE 1 27 LYS HA 3.133 . 3.783 2.520 1.748 3.259 . 0 0 "[ . 1 . 2 .]" 2
615 1 15 PHE QE 1 26 HIS HA 3.191 . 4.297 4.333 3.872 4.637 0.340 11 0 "[ . 1 . 2 .]" 2
616 1 15 PHE QD 1 71 PHE HZ 2.959 . 3.609 4.201 3.210 5.231 1.622 14 11 "[******- 1* +. * 2 * .]" 2
617 1 26 HIS HA 1 71 PHE HZ 4.183 . 5.019 4.106 2.827 5.187 0.168 14 0 "[ . 1 . 2 .]" 2
618 1 15 PHE QD 1 26 HIS HD2 3.024 . 3.674 4.195 2.834 5.457 1.783 6 11 "[*****+ * *. * 2 * -]" 2
619 1 15 PHE HA 1 18 TYR QD 3.345 . 4.014 3.425 2.723 3.823 . 0 0 "[ . 1 . 2 .]" 2
620 1 18 TYR QD 1 21 ARG QD 3.076 . 3.926 3.741 3.125 4.064 0.138 19 0 "[ . 1 . 2 .]" 2
621 1 18 TYR HA 1 18 TYR QD 2.715 . 3.365 2.788 1.747 2.998 . 0 0 "[ . 1 . 2 .]" 2
622 1 14 VAL HA 1 18 TYR QD 3.304 . 3.965 2.928 2.206 4.312 0.347 3 0 "[ . 1 . 2 .]" 2
623 1 17 GLN QB 1 18 TYR QD 1.949 . 2.599 2.736 2.640 2.869 0.270 21 0 "[ . 1 . 2 .]" 2
624 1 15 PHE HA 1 74 PHE QD 3.082 . 4.032 3.925 3.055 4.248 0.217 25 0 "[ . 1 . 2 .]" 2
625 1 57 VAL HA 1 77 PHE QD 3.851 . 4.621 4.431 3.857 4.651 0.030 13 0 "[ . 1 . 2 .]" 2
626 1 5 GLU QB 1 77 PHE QD 5.650 2.260 6.780 6.130 5.870 6.479 . 0 0 "[ . 1 . 2 .]" 2
627 1 15 PHE HA 1 15 PHE QD 2.270 . 2.920 1.946 1.759 2.349 . 0 0 "[ . 1 . 2 .]" 2
628 1 89 PHE HA 1 89 PHE QD 2.501 . 3.151 2.076 1.544 3.082 . 0 0 "[ . 1 . 2 .]" 2
629 1 8 VAL HA 1 44 PHE QE 3.661 . 4.393 3.864 2.618 4.508 0.114 5 0 "[ . 1 . 2 .]" 2
630 1 5 GLU QB 1 44 PHE QE 2.653 . 3.303 2.581 1.752 3.331 0.028 8 0 "[ . 1 . 2 .]" 2
631 1 8 VAL HA 1 89 PHE QE 3.730 . 4.476 11.443 8.233 14.532 10.056 13 25 [*********-**+************] 2
632 1 23 GLY QA 1 44 PHE QD 3.272 . 4.126 3.457 2.246 4.266 0.140 21 0 "[ . 1 . 2 .]" 2
633 1 5 GLU HA 1 44 PHE QD 3.511 . 4.213 3.486 2.247 4.252 0.038 25 0 "[ . 1 . 2 .]" 2
634 1 5 GLU QB 1 44 PHE QD 3.834 . 4.601 3.003 1.878 3.787 . 0 0 "[ . 1 . 2 .]" 2
635 1 6 LYS QE 1 44 PHE QD 3.417 . 4.101 4.069 3.017 4.240 0.140 4 0 "[ . 1 . 2 .]" 2
636 1 15 PHE HB3 1 71 PHE HZ 3.474 . 4.169 4.217 3.190 4.794 0.625 14 1 "[ . 1 +. 2 .]" 2
637 1 5 GLU QG 1 74 PHE QE 3.188 . 3.838 2.421 1.835 3.017 . 0 0 "[ . 1 . 2 .]" 2
638 1 11 LEU HA 1 74 PHE QE 2.629 . 3.279 3.156 2.569 3.385 0.105 14 0 "[ . 1 . 2 .]" 2
639 1 74 PHE QE 1 75 MET HA 3.709 . 4.450 3.850 3.339 4.446 . 0 0 "[ . 1 . 2 .]" 2
640 1 19 SER HA 1 26 HIS HD2 3.617 . 4.341 4.291 3.804 4.463 0.123 19 0 "[ . 1 . 2 .]" 2
641 1 19 SER QB 1 26 HIS HD2 3.774 . 4.528 3.201 2.143 4.249 . 0 0 "[ . 1 . 2 .]" 2
642 1 18 TYR QE 1 39 ASN QB 2.307 . 4.307 3.653 3.245 4.344 0.037 8 0 "[ . 1 . 2 .]" 2
643 1 18 TYR QE 1 35 GLU QB 1.912 . 2.562 2.707 2.617 3.398 0.836 3 1 "[ + . 1 . 2 .]" 2
644 1 18 TYR QD 1 36 LEU QB 3.377 . 4.453 3.263 2.655 4.214 . 0 0 "[ . 1 . 2 .]" 2
645 1 4 LEU QD 1 18 TYR QD 3.216 . 3.866 2.930 2.378 3.213 . 0 0 "[ . 1 . 2 .]" 2
646 1 18 TYR QD 1 28 LEU QD 2.498 . 3.148 2.186 1.720 3.003 . 0 0 "[ . 1 . 2 .]" 2
647 1 74 PHE QD 1 75 MET QG 2.425 . 3.675 3.133 1.789 3.736 0.061 9 0 "[ . 1 . 2 .]" 2
648 1 4 LEU QD 1 74 PHE QD 2.746 . 3.396 3.124 2.802 3.473 0.077 8 0 "[ . 1 . 2 .]" 2
649 1 74 PHE QD 1 78 VAL QG 2.741 . 3.391 2.920 2.494 3.511 0.120 4 0 "[ . 1 . 2 .]" 2
650 1 6 LYS QD 1 88 PHE QE 3.802 . 4.562 6.683 5.303 9.103 4.541 10 25 [***-*****+***************] 2
651 1 15 PHE QD 1 28 LEU HG 2.594 . 4.244 4.655 3.822 6.442 2.199 24 7 "[ .*- 1 ** .* *2 +.]" 2
652 1 17 GLN QB 1 44 PHE QE 3.763 . 4.515 3.095 1.855 3.706 . 0 0 "[ . 1 . 2 .]" 2
653 1 44 PHE QE 1 57 VAL QG 2.472 . 3.122 2.438 1.625 3.214 0.092 17 0 "[ . 1 . 2 .]" 2
654 1 44 PHE QE 1 81 ILE MG 2.669 . 3.319 1.983 1.687 3.080 . 0 0 "[ . 1 . 2 .]" 2
655 1 41 LEU QD 1 44 PHE QE 3.366 . 4.040 2.612 1.728 4.014 . 0 0 "[ . 1 . 2 .]" 2
656 1 15 PHE QE 1 28 LEU QD 2.478 . 3.128 2.234 1.752 3.177 0.049 20 0 "[ . 1 . 2 .]" 2
657 2 72 GLN H 2 72 GLN QB . . 2.326 2.295 1.932 2.497 0.171 6 0 "[ . 1 . 2 .]" 2
658 2 7 ALA H 2 80 MET ME 4.614 . 5.620 3.914 2.794 4.627 . 0 0 "[ . 1 . 2 .]" 2
659 2 81 ILE HB 2 83 THR H 3.372 . 4.378 4.454 4.337 4.568 0.189 10 0 "[ . 1 . 2 .]" 2
660 2 81 ILE MG 2 83 THR H 4.653 . 5.659 4.778 4.552 5.006 . 0 0 "[ . 1 . 2 .]" 2
661 2 81 ILE MD 2 83 THR H 4.758 . 5.764 5.556 4.913 6.040 0.276 10 0 "[ . 1 . 2 .]" 2
662 2 33 LEU QD 2 77 PHE QD 2.387 . 3.393 1.981 1.656 3.026 . 0 0 "[ . 1 . 2 .]" 2
663 2 8 VAL QG 2 15 PHE HZ 3.838 . 4.944 6.421 4.827 6.998 2.054 22 23 [*******-*1***********+**.] 2
664 2 14 VAL QG 2 18 TYR QD . . 3.529 2.061 1.752 2.933 0.081 16 0 "[ . 1 . 2 .]" 2
665 2 15 PHE HZ 2 80 MET ME 3.135 . 4.141 3.753 2.978 4.251 0.111 7 0 "[ . 1 . 2 .]" 2
666 2 37 ILE MD 2 77 PHE QD 4.988 . 5.994 2.640 2.027 3.540 . 0 0 "[ . 1 . 2 .]" 2
667 2 15 PHE HZ 2 89 PHE QB 2.102 . 3.308 4.502 2.218 8.478 5.170 22 17 "[***** ** 1* **-* *2*+* *]" 2
668 2 6 LYS QE 2 15 PHE HZ 1.997 . 3.003 4.492 2.218 8.381 5.378 22 17 "[***** ** 1* **-* *2*+* *]" 2
669 2 60 THR MG 2 77 PHE QD 2.052 . 3.058 1.853 1.735 2.024 . 0 0 "[ . 1 . 2 .]" 2
670 2 43 HIS HD2 2 44 PHE QB 4.706 . 5.712 5.645 5.438 5.786 0.074 23 0 "[ . 1 . 2 .]" 2
671 2 77 PHE HZ 2 81 ILE MG 4.063 . 5.069 3.850 2.321 4.888 . 0 0 "[ . 1 . 2 .]" 2
672 2 11 LEU QB 2 74 PHE QE . . 3.352 2.464 1.839 3.119 . 0 0 "[ . 1 . 2 .]" 2
673 2 15 PHE QE 2 74 PHE QB 3.314 . 4.320 1.830 1.623 2.547 . 0 0 "[ . 1 . 2 .]" 2
674 2 11 LEU QD 2 74 PHE QE 2.313 . 3.319 2.494 1.703 3.435 0.116 19 0 "[ . 1 . 2 .]" 2
675 2 15 PHE QE 2 75 MET ME 2.931 . 3.937 4.184 2.925 5.106 1.169 20 11 "[ - ** * * * **+ * *.]" 2
676 2 74 PHE QD 2 75 MET QG 2.711 . 3.717 3.142 1.789 3.777 0.061 21 0 "[ . 1 . 2 .]" 2
677 2 14 VAL QG 2 74 PHE QD 7.015 2.806 8.418 3.747 3.076 4.753 . 0 0 "[ . 1 . 2 .]" 2
678 2 69 CYS HA 2 73 GLU HB3 3.862 . 4.668 2.594 2.077 3.857 . 0 0 "[ . 1 . 2 .]" 2
679 2 26 HIS HA 2 27 LYS QE 2.681 . 3.687 3.665 2.823 3.756 0.069 7 0 "[ . 1 . 2 .]" 2
680 2 43 HIS HA 2 46 GLU QB 4.382 . 4.702 3.988 3.602 4.470 . 0 0 "[ . 1 . 2 .]" 2
681 2 7 ALA HA 2 73 GLU QG 4.185 . 5.191 5.402 4.324 5.640 0.449 13 0 "[ . 1 . 2 .]" 2
682 2 33 LEU QD 2 74 PHE HA . . 4.110 2.486 1.830 3.008 . 0 0 "[ . 1 . 2 .]" 2
683 2 7 ALA HA 2 78 VAL QG 4.491 . 5.497 3.545 3.033 4.039 . 0 0 "[ . 1 . 2 .]" 2
684 2 76 ALA MB 2 77 PHE HA 4.464 . 5.470 3.754 3.658 3.847 . 0 0 "[ . 1 . 2 .]" 2
685 2 77 PHE HA 2 80 MET QG 5.307 2.123 6.368 3.545 2.166 4.296 . 0 0 "[ . 1 . 2 .]" 2
686 2 78 VAL QG 2 82 THR HB 4.194 . 5.200 4.131 3.169 5.020 . 0 0 "[ . 1 . 2 .]" 2
687 2 2 SER QB 2 79 ALA MB 4.155 . 5.161 3.773 3.352 4.083 . 0 0 "[ . 1 . 2 .]" 2
688 2 37 ILE MD 2 74 PHE HA 5.544 2.218 6.653 5.073 4.402 6.080 . 0 0 "[ . 1 . 2 .]" 2
689 2 77 PHE HA 2 81 ILE MD 5.954 2.382 7.145 4.463 3.499 5.264 . 0 0 "[ . 1 . 2 .]" 2
690 2 38 ASN HA 2 45 LEU QD 2.652 . 3.658 2.797 1.647 3.737 0.080 8 0 "[ . 1 . 2 .]" 2
691 2 46 GLU HA 2 48 ILE MG 3.266 . 4.272 3.922 3.311 4.319 0.047 25 0 "[ . 1 . 2 .]" 2
692 2 3 GLU HA 2 8 VAL QG 2.572 . 3.578 1.988 1.719 2.768 . 0 0 "[ . 1 . 2 .]" 2
693 2 3 GLU HA 2 28 LEU QB 4.950 . 5.956 3.774 3.055 4.479 . 0 0 "[ . 1 . 2 .]" 2
694 2 33 LEU HA 2 36 LEU QD 3.056 . 4.062 2.853 2.298 3.282 . 0 0 "[ . 1 . 2 .]" 2
695 2 28 LEU QD 2 33 LEU HA 2.352 . 3.358 2.883 1.819 3.395 0.037 2 0 "[ . 1 . 2 .]" 2
696 2 3 GLU HA 2 12 ILE MD 4.363 . 5.469 8.966 8.421 9.490 4.021 13 25 [************+-***********] 2
697 2 33 LEU HA 2 37 ILE MD 4.710 . 5.716 3.570 3.120 4.072 . 0 0 "[ . 1 . 2 .]" 2
698 2 20 GLY QA 2 75 MET QG 4.611 . 5.617 5.058 3.668 5.356 . 0 0 "[ . 1 . 2 .]" 2
699 2 83 THR HB 2 84 ALA MB 4.878 . 5.884 4.397 3.446 5.440 . 0 0 "[ . 1 . 2 .]" 2
700 2 75 MET ME 2 79 ALA HA 2.930 . 3.936 6.706 3.771 8.660 4.724 16 23 "[* ****** ******+******-**]" 2
701 2 42 SER HA 2 45 LEU QD 2.923 . 3.929 2.808 1.699 3.197 . 0 0 "[ . 1 . 2 .]" 2
702 2 23 GLY QA 2 24 ASP QB 3.651 . 4.657 4.098 3.496 4.615 . 0 0 "[ . 1 . 2 .]" 2
703 2 48 ILE MD 2 51 GLN HA 4.081 . 5.087 4.407 3.430 5.025 . 0 0 "[ . 1 . 2 .]" 2
704 2 53 VAL HA 2 56 LYS QG 3.713 . 4.719 3.576 2.147 4.340 . 0 0 "[ . 1 . 2 .]" 2
705 2 33 LEU QD 2 43 HIS QB 9.870 2.948 11.844 3.010 2.800 3.922 0.148 4 0 "[ . 1 . 2 .]" 2
706 2 28 LEU QD 2 74 PHE QB 3.702 . 4.708 2.476 1.756 3.342 0.088 13 0 "[ . 1 . 2 .]" 2
707 2 9 VAL HA 2 33 LEU QD 4.951 . 5.957 3.052 2.166 3.479 . 0 0 "[ . 1 . 2 .]" 2
708 2 14 VAL QG 2 15 PHE HA 5.506 2.202 6.607 3.478 3.108 4.222 . 0 0 "[ . 1 . 2 .]" 2
709 2 34 LYS HA 2 37 ILE MD 3.743 . 4.749 3.473 1.858 4.501 . 0 0 "[ . 1 . 2 .]" 2
710 2 9 VAL HA 2 12 ILE MG 3.329 . 3.607 2.104 1.668 2.729 . 0 0 "[ . 1 . 2 .]" 2
711 2 12 ILE HA 2 75 MET ME 3.990 . 4.996 4.750 3.397 5.549 0.553 9 1 "[ . +1 . 2 .]" 2
712 2 43 HIS QB 2 46 GLU QB 4.053 . 5.059 5.037 4.748 5.169 0.110 10 0 "[ . 1 . 2 .]" 2
713 2 83 THR HA 2 84 ALA MB 4.802 . 5.808 4.903 4.692 4.993 . 0 0 "[ . 1 . 2 .]" 2
714 2 44 PHE QB 2 45 LEU QD 5.092 2.037 6.111 4.491 4.256 5.505 . 0 0 "[ . 1 . 2 .]" 2
715 2 44 PHE QB 2 81 ILE MG 3.123 . 4.129 3.790 2.710 4.339 0.210 18 0 "[ . 1 . 2 .]" 2
716 2 26 HIS QB 2 34 LYS HD3 5.538 2.215 6.646 5.165 3.521 6.678 0.033 21 0 "[ . 1 . 2 .]" 2
717 2 36 LEU QD 2 74 PHE QB 5.196 2.078 6.235 2.613 2.047 3.322 0.031 19 0 "[ . 1 . 2 .]" 2
718 2 26 HIS QB 2 33 LEU QD 2.586 . 3.377 2.332 1.829 2.964 . 0 0 "[ . 1 . 2 .]" 2
719 2 36 LEU QD 2 37 ILE HA 2.513 . 3.519 3.631 3.534 3.889 0.369 21 0 "[ . 1 . 2 .]" 2
720 2 11 LEU QD 2 15 PHE HB2 4.161 . 5.167 4.441 4.022 4.882 . 0 0 "[ . 1 . 2 .]" 2
721 2 27 LYS QB 2 27 LYS QE 5.881 2.353 7.058 3.330 2.310 3.691 0.043 12 0 "[ . 1 . 2 .]" 2
722 2 69 CYS QB 2 73 GLU HB3 3.682 . 4.688 3.368 1.859 4.707 0.020 12 0 "[ . 1 . 2 .]" 2
723 2 6 LYS QE 2 12 ILE MG 4.977 . 5.983 4.619 4.144 4.964 . 0 0 "[ . 1 . 2 .]" 2
724 2 13 ASP QB 2 61 LEU QD 3.742 . 4.748 3.046 1.840 4.137 . 0 0 "[ . 1 . 2 .]" 2
725 2 13 ASP QB 2 14 VAL QG 2.881 . 3.887 2.891 2.506 3.285 . 0 0 "[ . 1 . 2 .]" 2
726 2 10 ALA MB 2 13 ASP QB 4.341 . 5.347 3.834 3.402 4.293 . 0 0 "[ . 1 . 2 .]" 2
727 2 6 LYS QE 2 81 ILE MG 5.975 2.390 7.170 3.764 2.673 4.679 . 0 0 "[ . 1 . 2 .]" 2
728 2 37 ILE MD 2 77 PHE QB 4.226 . 5.232 4.205 3.210 5.012 . 0 0 "[ . 1 . 2 .]" 2
729 2 77 PHE QB 2 81 ILE MD 5.410 2.164 6.492 4.409 3.607 4.866 . 0 0 "[ . 1 . 2 .]" 2
730 2 39 ASN QB 2 40 GLU QB 3.470 . 4.477 3.747 2.962 4.228 . 0 0 "[ . 1 . 2 .]" 2
731 2 77 PHE QB 2 78 VAL QG 6.196 2.478 7.435 4.184 3.988 4.353 . 0 0 "[ . 1 . 2 .]" 2
732 2 4 LEU QD 2 39 ASN QB 4.782 . 5.788 13.770 11.377 15.379 9.590 8 25 [**-****+*****************] 2
733 2 33 LEU QD 2 77 PHE QB . 2.343 4.326 2.412 2.213 2.903 0.130 16 0 "[ . 1 . 2 .]" 2
734 2 36 LEU QD 2 39 ASN QB 4.235 . 5.241 4.531 3.458 5.135 . 0 0 "[ . 1 . 2 .]" 2
735 2 46 GLU QB 2 49 LYS QE 2.164 . 3.170 2.085 1.772 2.879 . 0 0 "[ . 1 . 2 .]" 2
736 2 18 TYR HB3 2 36 LEU QD 2.680 . 3.686 2.943 2.294 3.772 0.086 21 0 "[ . 1 . 2 .]" 2
737 2 18 TYR HB3 2 28 LEU QD 1.960 . 2.966 1.780 1.591 2.111 . 0 0 "[ . 1 . 2 .]" 2
738 2 30 LYS QG 2 32 GLU HB2 6.331 2.532 7.597 4.037 2.413 6.097 0.119 9 0 "[ . 1 . 2 .]" 2
739 2 38 ASN QB 2 45 LEU QD 4.839 . 5.845 2.035 1.869 4.034 0.067 12 0 "[ . 1 . 2 .]" 2
740 2 5 GLU QG 2 41 LEU QD 2.890 . 3.896 13.854 12.178 15.240 11.344 19 25 [**-***************+******] 2
741 2 3 GLU QG 2 28 LEU QB 4.253 . 5.259 4.652 3.540 5.359 0.100 12 0 "[ . 1 . 2 .]" 2
742 2 29 LYS QB 2 29 LYS QE 4.050 . 5.056 2.593 1.902 3.613 . 0 0 "[ . 1 . 2 .]" 2
743 2 4 LEU QD 2 40 GLU QB 4.223 . 5.229 11.229 9.575 12.833 7.605 8 25 [**-****+*****************] 2
744 2 8 VAL HB 2 69 CYS QB 3.388 . 4.394 2.961 1.857 3.621 . 0 0 "[ . 1 . 2 .]" 2
745 2 8 VAL HB 2 53 VAL QG 2.449 . 3.455 2.979 2.509 3.252 . 0 0 "[ . 1 . 2 .]" 2
746 2 5 GLU QB 2 36 LEU QD 4.526 . 5.532 4.107 3.802 4.255 . 0 0 "[ . 1 . 2 .]" 2
747 2 4 LEU QD 2 5 GLU QB 2.981 . 3.987 3.950 2.405 4.827 0.840 13 11 "[ ** * -1 *+*. * ** *.]" 2
748 2 33 LEU QB 2 61 LEU QD 3.012 . 4.018 2.325 1.777 2.881 . 0 0 "[ . 1 . 2 .]" 2
749 2 3 GLU QB 2 76 ALA MB 3.920 . 4.926 3.580 2.366 4.455 . 0 0 "[ . 1 . 2 .]" 2
750 2 5 GLU QB 2 49 LYS QG 4.108 . 5.114 3.023 1.653 4.526 . 0 0 "[ . 1 . 2 .]" 2
751 2 14 VAL HB 2 83 THR MG 2.548 . 3.554 4.236 3.075 5.785 2.232 10 12 "[ * *- *+ ** * ** * *]" 2
752 2 3 GLU QB 2 80 MET QG 2.767 . 3.773 2.097 1.864 2.447 . 0 0 "[ . 1 . 2 .]" 2
753 2 17 GLN QB 2 21 ARG QB 1.679 . 2.685 2.786 2.650 3.004 0.318 18 0 "[ . 1 . 2 .]" 2
754 2 33 LEU QB 2 69 CYS QB 4.115 . 5.121 3.525 1.799 4.668 . 0 0 "[ . 1 . 2 .]" 2
755 2 28 LEU QD 2 32 GLU QG 3.233 . 4.239 3.191 2.270 3.824 . 0 0 "[ . 1 . 2 .]" 2
756 2 5 GLU QB 2 6 LYS QG 3.608 . 4.614 3.014 2.644 3.792 . 0 0 "[ . 1 . 2 .]" 2
757 2 3 GLU QB 2 4 LEU QD 6.094 2.438 7.313 2.921 2.384 3.744 0.054 8 0 "[ . 1 . 2 .]" 2
758 2 22 GLU QB 2 54 VAL QG 4.282 . 5.288 2.984 2.481 3.337 . 0 0 "[ . 1 . 2 .]" 2
759 2 4 LEU QB 2 14 VAL QG 2.562 . 3.568 9.697 8.227 10.865 7.297 16 25 [**-************+*********] 2
760 2 41 LEU QB 2 44 PHE QB . . 4.021 2.706 2.001 3.768 . 0 0 "[ . 1 . 2 .]" 2
761 2 6 LYS QD 2 70 ASP HB3 3.502 . 4.508 4.517 4.200 4.642 0.134 25 0 "[ . 1 . 2 .]" 2
762 2 29 LYS QB 2 32 GLU HB2 4.277 . 5.283 3.365 2.357 4.468 . 0 0 "[ . 1 . 2 .]" 2
763 2 7 ALA MB 2 11 LEU QD 2.135 . 3.141 1.912 1.454 2.594 . 0 0 "[ . 1 . 2 .]" 2
764 2 7 ALA MB 2 79 ALA MB 2.381 . 3.387 3.611 2.481 4.021 0.634 24 7 "[* . 1* * .* -2 +*]" 2
765 2 36 LEU QD 2 78 VAL HB 1.626 . 2.632 2.725 2.644 2.976 0.344 21 0 "[ . 1 . 2 .]" 2
766 2 25 LYS HB3 2 58 MET ME 4.911 . 5.917 5.083 3.649 5.922 0.005 14 0 "[ . 1 . 2 .]" 2
767 2 79 ALA MB 2 80 MET ME 5.709 2.284 6.851 5.119 3.626 6.423 . 0 0 "[ . 1 . 2 .]" 2
768 2 75 MET QB 2 75 MET ME 1.940 . 2.946 2.280 1.764 3.271 0.325 16 0 "[ . 1 . 2 .]" 2
769 2 73 GLU HG3 2 76 ALA MB 3.985 . 4.991 4.926 3.693 5.245 0.254 25 0 "[ . 1 . 2 .]" 2
770 2 10 ALA MB 2 14 VAL QG 4.261 . 5.267 3.407 2.836 3.948 . 0 0 "[ . 1 . 2 .]" 2
771 2 14 VAL QG 2 36 LEU QD 2.732 . 3.738 2.210 1.764 2.666 . 0 0 "[ . 1 . 2 .]" 2
772 2 8 VAL QG 2 36 LEU QD 2.670 . 3.676 2.210 1.764 2.665 . 0 0 "[ . 1 . 2 .]" 2
773 2 53 VAL QG 2 57 VAL QG 1.994 . 3.000 1.706 1.564 2.812 . 0 0 "[ . 1 . 2 .]" 2
774 2 8 VAL QG 2 79 ALA MB 4.693 . 5.699 7.316 6.577 8.317 2.618 25 25 [*******-****************+] 2
775 2 9 VAL QG 2 12 ILE MG 2.531 . 3.537 3.176 2.801 3.578 0.041 16 0 "[ . 1 . 2 .]" 2
776 2 30 LYS QG 2 69 CYS QB 5.557 2.223 6.669 2.488 2.183 3.320 0.040 10 0 "[ . 1 . 2 .]" 2
777 2 37 ILE MG 2 57 VAL QG 4.902 . 5.908 3.212 2.536 3.972 . 0 0 "[ . 1 . 2 .]" 2
778 2 48 ILE HG13 2 48 ILE MG 1.538 . 2.544 2.343 2.163 2.450 . 0 0 "[ . 1 . 2 .]" 2
779 2 33 LEU QD 2 37 ILE MD 3.167 . 4.173 2.476 1.675 3.621 . 0 0 "[ . 1 . 2 .]" 2
780 2 52 GLU QG 2 53 VAL QG 3.451 . 4.457 3.626 3.217 4.292 . 0 0 "[ . 1 . 2 .]" 2
781 2 9 VAL QG 2 13 ASP QB 4.637 . 5.643 4.150 3.527 4.986 . 0 0 "[ . 1 . 2 .]" 2
782 2 7 ALA MB 2 11 LEU QD 1.715 . 2.721 2.905 2.183 3.588 0.867 21 7 "[** *. 1- . * 2+ * .]" 2
783 2 10 ALA MB 2 11 LEU QD 2.036 . 3.042 2.839 1.802 3.220 0.177 5 0 "[ . 1 . 2 .]" 2
784 2 8 VAL QG 2 75 MET ME 1.736 . 2.742 1.905 1.475 2.759 0.017 15 0 "[ . 1 . 2 .]" 2
785 2 11 LEU QD 2 75 MET QG 4.247 . 5.253 2.297 1.719 3.607 . 0 0 "[ . 1 . 2 .]" 2
786 2 8 VAL QG 2 79 ALA MB 4.675 . 5.681 4.244 3.300 4.796 . 0 0 "[ . 1 . 2 .]" 2
787 2 8 VAL QG 2 12 ILE MG 2.602 . 3.608 2.632 1.939 3.294 . 0 0 "[ . 1 . 2 .]" 2
788 2 25 LYS QG 2 60 THR MG 3.824 . 4.830 3.731 3.011 4.408 . 0 0 "[ . 1 . 2 .]" 2
789 2 33 LEU QD 2 69 CYS QB 5.546 2.218 6.655 2.497 2.185 3.341 0.034 10 0 "[ . 1 . 2 .]" 2
790 2 33 LEU QD 2 34 LYS HD3 2.170 . 3.176 3.144 2.885 3.279 0.103 15 0 "[ . 1 . 2 .]" 2
791 2 4 LEU QD 2 33 LEU QD 3.994 . 5.000 8.142 6.874 9.124 4.124 8 25 [**-****+*****************] 2
792 2 33 LEU QD 2 61 LEU QD 2.161 . 3.167 2.110 1.578 3.175 0.007 10 0 "[ . 1 . 2 .]" 2
793 2 36 LEU QB 2 36 LEU QD 1.131 . 2.137 1.627 1.575 1.706 . 0 0 "[ . 1 . 2 .]" 2
794 2 4 LEU QD 2 37 ILE MD 1.154 . 2.160 1.693 1.374 2.157 . 0 0 "[ . 1 . 2 .]" 2
795 2 4 LEU QD 2 14 VAL QG 2.740 . 3.746 8.326 5.997 9.777 6.031 8 25 [**-****+*****************] 2
796 2 41 LEU QD 2 44 PHE QB 3.573 . 4.579 3.574 2.263 4.347 . 0 0 "[ . 1 . 2 .]" 2
797 2 8 VAL QG 2 41 LEU QD 1.835 . 2.841 9.530 8.644 10.682 7.841 13 25 [*****-******+************] 2
798 2 78 VAL QG 2 79 ALA MB 3.948 . 4.954 2.674 2.502 2.926 . 0 0 "[ . 1 . 2 .]" 2
799 2 75 MET ME 2 78 VAL QG 2.246 . 3.252 3.867 1.707 4.909 1.657 25 17 "[* ***-* *** *.* **** *+]" 2
800 2 28 LEU QB 2 28 LEU QD . . 2.566 1.837 1.686 2.059 . 0 0 "[ . 1 . 2 .]" 2
801 2 28 LEU QD 2 77 PHE QB 4.408 . 5.414 3.512 3.041 3.829 . 0 0 "[ . 1 . 2 .]" 2
802 2 15 PHE HB3 2 28 LEU QD 4.270 . 5.276 3.506 3.056 3.732 . 0 0 "[ . 1 . 2 .]" 2
803 2 28 LEU QD 2 32 GLU QG 5.458 2.183 6.549 2.893 2.243 3.250 . 0 0 "[ . 1 . 2 .]" 2
804 2 28 LEU QD 2 32 GLU HB2 3.305 . 4.311 2.295 1.658 3.805 . 0 0 "[ . 1 . 2 .]" 2
805 2 37 ILE MD 2 37 ILE MG 2.140 . 3.146 2.525 1.718 3.225 0.079 4 0 "[ . 1 . 2 .]" 2
806 2 28 LEU QD 2 33 LEU QD 2.431 . 3.437 2.133 1.655 2.939 . 0 0 "[ . 1 . 2 .]" 2
807 2 34 LYS QB 2 61 LEU QD 3.762 . 4.768 3.244 2.142 4.004 . 0 0 "[ . 1 . 2 .]" 2
808 2 14 VAL QG 2 36 LEU QD 2.866 . 3.872 2.606 2.151 3.277 . 0 0 "[ . 1 . 2 .]" 2
809 2 8 VAL QG 2 78 VAL QG 4.819 . 5.825 6.260 5.638 6.984 1.159 13 10 "[ * * *1 +*. ** -**]" 2
810 2 9 VAL HB 2 12 ILE MG 3.670 . 4.676 4.605 4.128 4.973 0.297 16 0 "[ . 1 . 2 .]" 2
811 2 15 PHE HZ 2 70 ASP HA 2.733 . 3.739 3.131 2.085 3.798 0.060 7 0 "[ . 1 . 2 .]" 2
812 2 15 PHE HZ 2 27 LYS HA 3.379 . 4.485 4.211 3.421 4.683 0.197 19 0 "[ . 1 . 2 .]" 2
813 2 15 PHE HZ 2 17 GLN HA 4.000 . 5.006 2.941 2.555 3.350 . 0 0 "[ . 1 . 2 .]" 2
814 2 15 PHE HZ 2 18 TYR HA 2.712 . 3.718 2.429 1.623 2.566 . 0 0 "[ . 1 . 2 .]" 2
815 2 60 THR HB 2 77 PHE QD 3.722 . 4.728 2.399 1.860 3.210 . 0 0 "[ . 1 . 2 .]" 2
816 2 15 PHE HZ 2 74 PHE HA 5.640 2.256 6.767 3.840 3.393 4.472 . 0 0 "[ . 1 . 2 .]" 2
817 2 15 PHE HZ 2 83 THR HA 3.783 . 4.789 3.448 3.095 3.589 . 0 0 "[ . 1 . 2 .]" 2
818 2 18 TYR QE 2 36 LEU HA 3.960 . 4.966 2.029 1.799 2.696 . 0 0 "[ . 1 . 2 .]" 2
819 2 44 PHE HA 2 45 LEU HA 5.492 2.197 6.591 4.962 4.916 5.005 . 0 0 "[ . 1 . 2 .]" 2
820 2 35 GLU HA 2 39 ASN HA 4.254 . 5.260 5.234 4.683 5.383 0.123 12 0 "[ . 1 . 2 .]" 2
821 2 62 ASP HA 2 63 SER QB 4.881 . 5.887 5.372 4.920 5.630 . 0 0 "[ . 1 . 2 .]" 2
822 2 20 GLY QA 2 36 LEU HA 4.113 . 5.119 4.213 4.053 4.345 . 0 0 "[ . 1 . 2 .]" 2
823 2 53 VAL HA 2 56 LYS HA 4.181 . 5.187 4.909 4.619 5.254 0.067 11 0 "[ . 1 . 2 .]" 2
824 2 27 LYS HA 2 70 ASP HB2 4.569 . 5.575 4.492 2.500 5.471 . 0 0 "[ . 1 . 2 .]" 2
825 2 41 LEU HA 2 43 HIS QB 2.849 . 3.905 3.732 3.454 3.952 0.047 22 0 "[ . 1 . 2 .]" 2
826 2 5 GLU HA 2 79 ALA HA 7.353 2.941 8.823 10.477 9.632 11.058 2.235 14 25 [*******-*****+***********] 2
827 2 26 HIS QB 2 92 GLU HA 3.401 . 4.407 5.401 2.082 8.737 4.330 2 10 "[ + ** 1** .*** 2 -*.]" 2
828 2 26 HIS QB 2 82 THR HA 7.580 3.032 9.096 4.267 3.699 4.667 . 0 0 "[ . 1 . 2 .]" 2
829 2 15 PHE HB3 2 70 ASP HA 4.318 . 5.324 3.934 3.556 4.388 . 0 0 "[ . 1 . 2 .]" 2
830 2 43 HIS HA 2 49 LYS QE 3.050 . 4.056 3.320 1.919 4.084 0.028 24 0 "[ . 1 . 2 .]" 2
831 2 11 LEU HA 2 17 GLN QG 1.429 . 2.435 2.367 2.232 2.466 0.031 1 0 "[ . 1 . 2 .]" 2
832 2 15 PHE HA 2 18 TYR QB 1.424 . 2.430 2.188 1.928 2.479 0.049 16 0 "[ . 1 . 2 .]" 2
833 2 11 LEU QB 2 12 ILE HA 3.962 . 4.968 3.837 3.471 4.080 . 0 0 "[ . 1 . 2 .]" 2
834 2 28 LEU HA 2 32 GLU HB2 4.920 . 5.926 3.205 2.388 3.605 . 0 0 "[ . 1 . 2 .]" 2
835 2 14 VAL HA 2 17 GLN QB 2.935 . 3.941 3.114 2.442 3.657 . 0 0 "[ . 1 . 2 .]" 2
836 2 8 VAL HB 2 66 ASP HA 3.114 . 4.120 4.132 3.545 4.332 0.212 6 0 "[ . 1 . 2 .]" 2
837 2 14 VAL HA 2 14 VAL HB 2.207 . 3.213 3.011 2.453 3.042 . 0 0 "[ . 1 . 2 .]" 2
838 2 17 GLN HA 2 17 GLN QB 1.466 . 2.472 2.156 2.104 2.276 . 0 0 "[ . 1 . 2 .]" 2
839 2 51 GLN HA 2 51 GLN QB 2.506 . 3.512 2.167 1.920 2.386 . 0 0 "[ . 1 . 2 .]" 2
840 2 5 GLU QB 2 40 GLU HA 3.525 . 4.531 18.550 17.573 19.656 15.125 19 25 [*-****************+******] 2
841 2 6 LYS QD 2 24 ASP HA 3.526 . 4.732 4.632 4.103 4.800 0.068 22 0 "[ . 1 . 2 .]" 2
842 2 52 GLU HA 2 56 LYS QD 3.455 . 4.461 3.904 3.519 4.556 0.095 13 0 "[ . 1 . 2 .]" 2
843 2 6 LYS QD 2 70 ASP HA 3.910 . 4.916 3.534 3.021 4.084 . 0 0 "[ . 1 . 2 .]" 2
844 2 75 MET QB 2 76 ALA HA 4.241 . 5.247 3.977 3.840 4.279 . 0 0 "[ . 1 . 2 .]" 2
845 2 29 LYS QB 2 68 GLU HA 5.762 2.305 6.914 4.980 3.884 6.699 . 0 0 "[ . 1 . 2 .]" 2
846 2 20 GLY QA 2 21 ARG QG 4.388 . 4.479 4.135 3.312 4.488 0.009 2 0 "[ . 1 . 2 .]" 2
847 2 27 LYS QD 2 70 ASP HA 4.652 . 5.658 4.521 3.112 5.646 . 0 0 "[ . 1 . 2 .]" 2
848 2 25 LYS HB2 2 69 CYS HA 6.044 2.418 7.253 5.590 3.805 6.526 . 0 0 "[ . 1 . 2 .]" 2
849 2 79 ALA MB 2 82 THR HB 5.130 2.052 6.156 4.118 3.487 4.544 . 0 0 "[ . 1 . 2 .]" 2
850 2 27 LYS QG 2 70 ASP HA 4.129 . 5.135 2.740 2.113 3.677 . 0 0 "[ . 1 . 2 .]" 2
851 2 10 ALA HA 2 14 VAL QG 4.225 . 5.231 4.128 3.327 4.619 . 0 0 "[ . 1 . 2 .]" 2
852 2 9 VAL HA 2 9 VAL QG 2.816 . 3.822 2.069 1.966 2.167 . 0 0 "[ . 1 . 2 .]" 2
853 2 14 VAL HA 2 14 VAL QG 2.027 . 3.033 2.098 1.957 2.307 . 0 0 "[ . 1 . 2 .]" 2
854 2 7 ALA HA 2 11 LEU QD 3.236 . 4.242 3.891 3.234 4.474 0.231 4 0 "[ . 1 . 2 .]" 2
855 2 6 LYS HA 2 8 VAL QG 4.193 . 5.199 4.505 3.783 4.877 . 0 0 "[ . 1 . 2 .]" 2
856 2 5 GLU HA 2 8 VAL QG 2.731 . 3.737 2.624 2.235 3.406 . 0 0 "[ . 1 . 2 .]" 2
857 2 82 THR MG 2 83 THR HA 5.132 2.053 6.158 3.724 3.039 5.095 . 0 0 "[ . 1 . 2 .]" 2
858 2 33 LEU QD 2 60 THR HB 4.227 . 5.233 4.127 3.605 4.455 . 0 0 "[ . 1 . 2 .]" 2
859 2 36 LEU HA 2 36 LEU HG 1.728 . 2.734 2.047 1.928 2.538 . 0 0 "[ . 1 . 2 .]" 2
860 2 30 LYS HA 2 33 LEU QD 3.145 . 4.151 2.941 2.180 4.093 . 0 0 "[ . 1 . 2 .]" 2
861 2 4 LEU QD 2 40 GLU HA 3.762 . 4.768 4.324 3.499 4.675 . 0 0 "[ . 1 . 2 .]" 2
862 2 4 LEU QD 2 38 ASN HA 2.218 . 3.224 2.680 1.643 3.275 0.051 12 0 "[ . 1 . 2 .]" 2
863 2 28 LEU QD 2 33 LEU HA 1.915 . 2.921 2.395 1.799 2.784 . 0 0 "[ . 1 . 2 .]" 2
864 2 75 MET HA 2 78 VAL QG 4.124 . 5.130 1.777 1.689 1.983 . 0 0 "[ . 1 . 2 .]" 2
865 2 28 LEU QD 2 33 LEU HA 2.063 . 3.069 2.702 1.812 3.114 0.046 8 0 "[ . 1 . 2 .]" 2
866 2 30 LYS HA 2 61 LEU QD 3.638 . 4.644 2.517 1.775 3.058 . 0 0 "[ . 1 . 2 .]" 2
867 2 60 THR HB 2 61 LEU QD 4.898 . 5.904 4.692 3.081 5.152 . 0 0 "[ . 1 . 2 .]" 2
868 2 29 LYS H 2 33 LEU H 3.616 . 4.339 3.390 2.364 4.189 . 0 0 "[ . 1 . 2 .]" 2
869 2 30 LYS H 2 67 GLY H 4.383 . 5.260 4.913 3.642 5.459 0.199 12 0 "[ . 1 . 2 .]" 2
870 2 30 LYS H 2 69 CYS H 4.054 . 4.865 4.590 3.134 4.994 0.129 19 0 "[ . 1 . 2 .]" 2
871 2 38 ASN H 2 40 GLU H 4.686 . 5.623 4.144 3.733 4.816 . 0 0 "[ . 1 . 2 .]" 2
872 2 16 HIS H 2 17 GLN H 3.642 . 4.370 2.987 2.830 3.256 . 0 0 "[ . 1 . 2 .]" 2
873 2 15 PHE H 2 16 HIS H 3.315 . 3.978 2.907 2.670 3.032 . 0 0 "[ . 1 . 2 .]" 2
874 2 16 HIS H 2 18 TYR H 4.741 . 5.689 4.801 4.046 5.101 . 0 0 "[ . 1 . 2 .]" 2
875 2 49 LYS H 2 50 GLU H 3.003 . 3.653 2.763 2.522 2.919 . 0 0 "[ . 1 . 2 .]" 2
876 2 28 LEU H 2 69 CYS H 3.317 . 3.980 3.232 2.489 3.860 . 0 0 "[ . 1 . 2 .]" 2
877 2 51 GLN H 2 51 GLN QE 4.345 . 5.214 4.412 2.238 5.061 . 0 0 "[ . 1 . 2 .]" 2
878 2 30 LYS H 2 33 LEU H 4.664 . 5.596 4.684 4.386 5.024 . 0 0 "[ . 1 . 2 .]" 2
879 2 70 ASP H 2 73 GLU H 4.241 . 5.089 3.592 2.520 3.944 . 0 0 "[ . 1 . 2 .]" 2
880 2 78 VAL H 2 80 MET H 3.785 . 4.542 4.164 3.870 4.531 . 0 0 "[ . 1 . 2 .]" 2
881 2 77 PHE H 2 80 MET H 3.708 . 4.449 4.464 4.266 4.604 0.154 13 0 "[ . 1 . 2 .]" 2
882 2 60 THR H 2 61 LEU H 2.598 . 3.248 2.343 2.084 2.618 . 0 0 "[ . 1 . 2 .]" 2
883 2 18 TYR H 2 20 GLY H 4.016 . 4.819 4.061 3.765 4.725 . 0 0 "[ . 1 . 2 .]" 2
884 2 31 SER H 2 34 LYS H 4.477 . 5.373 4.751 4.395 5.147 . 0 0 "[ . 1 . 2 .]" 2
885 2 77 PHE H 2 81 ILE H 4.160 . 5.793 5.967 5.877 6.065 0.272 18 0 "[ . 1 . 2 .]" 2
886 2 56 LYS H 2 59 GLU H 4.854 . 5.825 4.437 4.196 4.911 . 0 0 "[ . 1 . 2 .]" 2
887 2 48 ILE H 2 49 LYS H 2.970 . 3.620 2.353 1.836 2.612 . 0 0 "[ . 1 . 2 .]" 2
888 2 76 ALA H 2 79 ALA H 3.828 . 4.593 4.577 4.404 4.840 0.247 13 0 "[ . 1 . 2 .]" 2
889 2 77 PHE QD 2 79 ALA H 6.778 2.711 8.133 5.165 4.439 5.427 . 0 0 "[ . 1 . 2 .]" 2
890 2 15 PHE H 2 18 TYR QD 4.148 . 4.977 4.384 3.871 4.882 . 0 0 "[ . 1 . 2 .]" 2
891 2 77 PHE QD 2 80 MET H 3.873 . 4.647 4.646 4.229 4.804 0.157 16 0 "[ . 1 . 2 .]" 2
892 2 15 PHE HZ 2 72 GLN H 4.032 . 5.038 4.957 4.177 5.174 0.136 15 0 "[ . 1 . 2 .]" 2
893 2 18 TYR QD 2 36 LEU H 3.072 . 4.162 4.041 3.642 4.299 0.137 14 0 "[ . 1 . 2 .]" 2
894 2 15 PHE HZ 2 74 PHE H 4.260 . 5.112 2.916 2.406 4.254 . 0 0 "[ . 1 . 2 .]" 2
895 2 77 PHE QD 2 78 VAL H . . 3.331 3.131 2.142 3.420 0.089 7 0 "[ . 1 . 2 .]" 2
896 2 53 VAL H 2 56 LYS H 4.332 . 5.198 4.548 4.321 4.764 . 0 0 "[ . 1 . 2 .]" 2
897 2 29 LYS H 2 32 GLU H 4.155 . 4.986 3.091 2.438 3.546 . 0 0 "[ . 1 . 2 .]" 2
898 2 74 PHE QE 2 78 VAL H 4.870 . 5.844 5.039 4.250 5.982 0.137 2 0 "[ . 1 . 2 .]" 2
899 2 15 PHE QE 2 72 GLN H 3.584 . 4.901 4.881 4.386 5.153 0.252 22 0 "[ . 1 . 2 .]" 2
900 2 15 PHE QE 2 27 LYS H 2.905 . 4.155 4.065 3.665 4.369 0.214 25 0 "[ . 1 . 2 .]" 2
901 2 74 PHE QD 2 75 MET H 3.146 . 3.796 3.218 2.179 3.759 . 0 0 "[ . 1 . 2 .]" 2
902 2 18 TYR QE 2 36 LEU H 4.256 . 5.107 2.542 2.097 3.868 . 0 0 "[ . 1 . 2 .]" 2
903 2 18 TYR QE 2 39 ASN QD 3.710 . 4.452 3.699 1.842 4.463 0.011 17 0 "[ . 1 . 2 .]" 2
904 2 70 ASP HA 2 72 GLN H 4.366 . 5.239 5.217 4.245 5.560 0.321 18 0 "[ . 1 . 2 .]" 2
905 2 39 ASN H 2 40 GLU HA 4.863 . 5.836 5.172 5.067 5.332 . 0 0 "[ . 1 . 2 .]" 2
906 2 29 LYS HA 2 32 GLU H 3.904 . 4.684 4.663 4.364 4.742 0.058 16 0 "[ . 1 . 2 .]" 2
907 2 66 ASP HA 2 67 GLY H 4.048 . 4.857 2.628 2.196 3.609 . 0 0 "[ . 1 . 2 .]" 2
908 2 74 PHE HA 2 76 ALA H 2.962 . 4.168 4.188 4.074 4.342 0.174 24 0 "[ . 1 . 2 .]" 2
909 2 82 THR H 2 82 THR HB 2.698 . 3.348 2.533 2.105 3.329 . 0 0 "[ . 1 . 2 .]" 2
910 2 77 PHE HA 2 79 ALA H 3.370 . 4.044 4.054 3.710 4.194 0.150 9 0 "[ . 1 . 2 .]" 2
911 2 10 ALA H 2 10 ALA HA 2.701 . 3.351 2.897 2.847 2.951 . 0 0 "[ . 1 . 2 .]" 2
912 2 10 ALA HA 2 11 LEU H 3.091 . 3.741 3.567 3.514 3.602 . 0 0 "[ . 1 . 2 .]" 2
913 2 77 PHE HA 2 81 ILE H 3.581 . 4.297 3.893 3.520 4.108 . 0 0 "[ . 1 . 2 .]" 2
914 2 2 SER H 2 2 SER QB 4.556 . 5.467 2.312 1.961 2.860 . 0 0 "[ . 1 . 2 .]" 2
915 2 25 LYS HA 2 26 HIS H 3.666 . 4.399 3.552 3.492 3.607 . 0 0 "[ . 1 . 2 .]" 2
916 2 11 LEU HA 2 30 LYS H 4.684 . 5.621 4.231 2.742 5.084 . 0 0 "[ . 1 . 2 .]" 2
917 2 18 TYR HA 2 21 ARG HE 5.007 2.003 6.013 4.565 2.843 5.284 . 0 0 "[ . 1 . 2 .]" 2
918 2 52 GLU HA 2 54 VAL H 4.514 . 5.416 4.571 4.217 4.894 . 0 0 "[ . 1 . 2 .]" 2
919 2 4 LEU H 2 4 LEU HA 2.544 . 3.194 2.889 2.783 2.937 . 0 0 "[ . 1 . 2 .]" 2
920 2 19 SER HA 2 27 LYS H 4.438 . 5.326 3.162 2.374 3.890 . 0 0 "[ . 1 . 2 .]" 2
921 2 33 LEU HA 2 36 LEU H 3.269 . 3.923 3.431 3.114 3.717 . 0 0 "[ . 1 . 2 .]" 2
922 2 35 GLU HA 2 39 ASN H 3.736 . 4.484 3.635 3.251 4.378 . 0 0 "[ . 1 . 2 .]" 2
923 2 35 GLU HA 2 39 ASN QD 4.660 . 5.591 3.737 2.140 4.929 . 0 0 "[ . 1 . 2 .]" 2
924 2 76 ALA H 2 76 ALA HA 2.750 . 3.400 2.873 2.785 2.905 . 0 0 "[ . 1 . 2 .]" 2
925 2 73 GLU HA 2 77 PHE H 3.315 . 3.978 3.185 2.860 3.328 . 0 0 "[ . 1 . 2 .]" 2
926 2 79 ALA H 2 79 ALA HA 2.936 . 3.586 2.906 2.870 2.936 . 0 0 "[ . 1 . 2 .]" 2
927 2 63 SER QB 2 64 ASP H 3.042 . 3.692 2.703 1.975 3.362 . 0 0 "[ . 1 . 2 .]" 2
928 2 20 GLY QA 2 22 GLU H 3.832 . 4.598 2.989 2.464 3.306 . 0 0 "[ . 1 . 2 .]" 2
929 2 6 LYS HA 2 10 ALA H 3.269 . 4.323 4.434 4.352 4.530 0.207 24 0 "[ . 1 . 2 .]" 2
930 2 42 SER HA 2 43 HIS H 4.256 . 5.107 2.682 2.426 3.115 . 0 0 "[ . 1 . 2 .]" 2
931 2 42 SER H 2 42 SER HA 2.429 . 3.079 2.132 1.909 2.466 . 0 0 "[ . 1 . 2 .]" 2
932 2 17 GLN HA 2 18 TYR H 3.484 . 4.181 3.550 3.521 3.571 . 0 0 "[ . 1 . 2 .]" 2
933 2 14 VAL HA 2 72 GLN QE 3.883 . 4.661 4.832 4.307 9.718 5.057 13 1 "[ . 1 + . 2 .]" 2
934 2 30 LYS HA 2 34 LYS H 3.771 . 4.525 4.020 3.447 4.551 0.025 7 0 "[ . 1 . 2 .]" 2
935 2 8 VAL HA 2 10 ALA H 3.551 . 4.261 4.051 3.697 4.329 0.068 20 0 "[ . 1 . 2 .]" 2
936 2 7 ALA H 2 8 VAL HA 4.393 . 5.272 5.174 5.041 5.303 0.031 14 0 "[ . 1 . 2 .]" 2
937 2 51 GLN HA 2 54 VAL H 3.356 . 4.027 3.366 3.169 3.660 . 0 0 "[ . 1 . 2 .]" 2
938 2 57 VAL HA 2 59 GLU H 3.947 . 4.736 4.545 4.234 4.759 0.022 14 0 "[ . 1 . 2 .]" 2
939 2 19 SER HB2 2 27 LYS H 4.036 . 4.843 2.790 1.788 4.381 . 0 0 "[ . 1 . 2 .]" 2
940 2 15 PHE HA 2 18 TYR H 3.324 . 4.330 3.713 2.888 4.179 . 0 0 "[ . 1 . 2 .]" 2
941 2 34 LYS HA 2 37 ILE H 3.043 . 3.693 3.113 2.972 3.249 . 0 0 "[ . 1 . 2 .]" 2
942 2 34 LYS HA 2 38 ASN H 3.526 . 4.231 4.093 3.658 4.272 0.041 22 0 "[ . 1 . 2 .]" 2
943 2 72 GLN HA 2 76 ALA H 3.293 . 3.952 4.029 3.904 4.264 0.312 13 0 "[ . 1 . 2 .]" 2
944 2 72 GLN HA 2 75 MET H 3.303 . 3.963 3.798 3.351 4.106 0.143 13 0 "[ . 1 . 2 .]" 2
945 2 36 LEU HA 2 40 GLU H 4.075 . 4.890 4.804 3.897 5.120 0.230 21 0 "[ . 1 . 2 .]" 2
946 2 36 LEU HA 2 39 ASN QD 4.674 . 5.609 4.099 2.869 4.927 . 0 0 "[ . 1 . 2 .]" 2
947 2 44 PHE H 2 44 PHE QB 2.958 . 3.608 2.107 1.930 2.345 . 0 0 "[ . 1 . 2 .]" 2
948 2 78 VAL HA 2 82 THR H 3.712 . 4.455 3.925 3.222 4.500 0.045 13 0 "[ . 1 . 2 .]" 2
949 2 36 LEU H 2 37 ILE HA 5.482 2.193 6.578 5.481 5.292 5.687 . 0 0 "[ . 1 . 2 .]" 2
950 2 74 PHE H 2 74 PHE QB 2.374 . 3.024 2.021 1.898 2.176 . 0 0 "[ . 1 . 2 .]" 2
951 2 37 ILE HA 2 41 LEU H 3.022 . 3.672 3.361 2.528 3.718 0.046 7 0 "[ . 1 . 2 .]" 2
952 2 15 PHE HB2 2 16 HIS H 2.844 . 3.494 3.020 2.697 3.551 0.058 20 0 "[ . 1 . 2 .]" 2
953 2 69 CYS QB 2 70 ASP H 3.416 . 4.100 3.649 2.513 4.049 . 0 0 "[ . 1 . 2 .]" 2
954 2 28 LEU H 2 69 CYS QB 5.652 2.261 6.783 3.267 2.278 4.490 . 0 0 "[ . 1 . 2 .]" 2
955 2 25 LYS QE 2 30 LYS H 5.448 2.179 6.538 4.204 3.208 5.164 . 0 0 "[ . 1 . 2 .]" 2
956 2 29 LYS QE 2 32 GLU H 5.044 2.018 6.053 4.986 3.049 6.080 0.028 13 0 "[ . 1 . 2 .]" 2
957 2 27 LYS H 2 27 LYS QE 5.436 2.174 6.523 4.668 3.589 6.165 . 0 0 "[ . 1 . 2 .]" 2
958 2 6 LYS QE 2 7 ALA H 5.143 2.057 6.171 5.519 4.842 6.195 0.024 3 0 "[ . 1 . 2 .]" 2
959 2 10 ALA H 2 13 ASP QB 3.971 . 4.765 4.893 4.823 4.987 0.222 24 0 "[ . 1 . 2 .]" 2
960 2 12 ILE H 2 13 ASP QB 4.902 . 5.882 4.231 3.890 4.534 . 0 0 "[ . 1 . 2 .]" 2
961 2 56 LYS H 2 58 MET QG 4.431 . 5.317 5.255 5.084 5.364 0.047 8 0 "[ . 1 . 2 .]" 2
962 2 34 LYS QE 2 38 ASN QD 4.485 . 5.383 3.948 1.851 5.385 0.003 10 0 "[ . 1 . 2 .]" 2
963 2 6 LYS QE 2 9 VAL H 6.604 2.642 7.925 6.516 4.972 7.588 . 0 0 "[ . 1 . 2 .]" 2
964 2 6 LYS QE 2 35 GLU H 5.738 2.295 6.885 5.032 4.724 5.457 . 0 0 "[ . 1 . 2 .]" 2
965 2 84 ALA H 2 85 CYS QB 4.951 . 5.941 4.079 3.818 4.595 . 0 0 "[ . 1 . 2 .]" 2
966 2 76 ALA H 2 77 PHE QB 4.539 . 5.447 4.451 4.274 4.756 . 0 0 "[ . 1 . 2 .]" 2
967 2 30 LYS QE 2 31 SER H 7.355 2.942 8.826 5.138 3.126 6.242 . 0 0 "[ . 1 . 2 .]" 2
968 2 13 ASP QB 2 68 GLU H 4.282 . 5.138 4.251 2.632 5.208 0.070 12 0 "[ . 1 . 2 .]" 2
969 2 47 GLU H 2 49 LYS QE 4.593 . 5.512 4.343 3.476 4.757 . 0 0 "[ . 1 . 2 .]" 2
970 2 38 ASN QB 2 73 GLU H 3.228 . 3.978 3.964 3.570 4.165 0.187 17 0 "[ . 1 . 2 .]" 2
971 2 35 GLU H 2 38 ASN QB 7.265 2.906 8.718 4.637 3.975 5.364 . 0 0 "[ . 1 . 2 .]" 2
972 2 46 GLU H 2 49 LYS QE 3.161 . 3.811 3.747 3.451 3.862 0.050 21 0 "[ . 1 . 2 .]" 2
973 2 70 ASP HB3 2 72 GLN H 3.079 . 4.129 4.150 3.864 4.389 0.260 22 0 "[ . 1 . 2 .]" 2
974 2 24 ASP QB 2 27 LYS H 3.596 . 4.315 3.219 2.694 3.714 . 0 0 "[ . 1 . 2 .]" 2
975 2 24 ASP QB 2 26 HIS H 3.846 . 4.615 4.216 2.939 4.671 0.056 14 0 "[ . 1 . 2 .]" 2
976 2 54 VAL H 2 55 ASP HB3 4.395 . 5.274 4.385 4.054 4.537 . 0 0 "[ . 1 . 2 .]" 2
977 2 53 VAL H 2 55 ASP HB3 3.755 . 4.506 4.572 4.543 4.605 0.100 1 0 "[ . 1 . 2 .]" 2
978 2 61 LEU H 2 62 ASP QB 3.702 . 4.443 4.387 3.965 4.536 0.093 4 0 "[ . 1 . 2 .]" 2
979 2 10 ALA H 2 11 LEU QB 4.783 . 5.740 4.617 4.209 5.091 . 0 0 "[ . 1 . 2 .]" 2
980 2 5 GLU QG 2 8 VAL H 4.544 . 5.452 4.822 4.386 5.409 . 0 0 "[ . 1 . 2 .]" 2
981 2 29 LYS H 2 32 GLU HB2 3.367 . 4.041 1.909 1.819 2.393 . 0 0 "[ . 1 . 2 .]" 2
982 2 31 SER H 2 32 GLU HB2 4.497 . 5.396 4.726 4.277 5.253 . 0 0 "[ . 1 . 2 .]" 2
983 2 32 GLU HB2 2 34 LYS H 6.773 2.709 8.127 5.278 4.846 5.820 . 0 0 "[ . 1 . 2 .]" 2
984 2 3 GLU QG 2 71 PHE H 3.143 . 3.793 3.948 3.841 4.106 0.313 24 0 "[ . 1 . 2 .]" 2
985 2 72 GLN H 2 73 GLU HG3 3.697 . 4.636 4.087 3.632 4.892 0.255 24 0 "[ . 1 . 2 .]" 2
986 2 72 GLN QE 2 73 GLU HG3 3.313 . 4.044 3.187 2.124 4.006 . 0 0 "[ . 1 . 2 .]" 2
987 2 3 GLU H 2 3 GLU QG 2.869 . 3.519 2.480 1.951 3.462 . 0 0 "[ . 1 . 2 .]" 2
988 2 19 SER HB3 2 27 LYS H 4.341 . 5.209 2.860 1.793 4.210 . 0 0 "[ . 1 . 2 .]" 2
989 2 54 VAL H 2 57 VAL HB 3.733 . 4.479 4.466 4.241 4.554 0.074 20 0 "[ . 1 . 2 .]" 2
990 2 30 LYS H 2 30 LYS QB 2.887 . 3.537 2.492 2.060 2.943 . 0 0 "[ . 1 . 2 .]" 2
991 2 7 ALA H 2 8 VAL HB 3.485 . 4.182 4.052 3.805 4.199 0.018 16 0 "[ . 1 . 2 .]" 2
992 2 70 ASP H 2 73 GLU HB3 2.848 . 3.598 3.159 2.799 3.557 . 0 0 "[ . 1 . 2 .]" 2
993 2 52 GLU QG 2 56 LYS H 3.526 . 4.231 4.279 4.189 4.357 0.126 12 0 "[ . 1 . 2 .]" 2
994 2 8 VAL HB 2 21 ARG H 3.042 . 3.692 3.305 3.150 3.658 . 0 0 "[ . 1 . 2 .]" 2
995 2 35 GLU QB 2 39 ASN H 5.015 2.006 6.019 4.653 4.235 5.342 . 0 0 "[ . 1 . 2 .]" 2
996 2 30 LYS QB 2 67 GLY H 5.224 2.090 6.269 5.344 4.336 6.140 . 0 0 "[ . 1 . 2 .]" 2
997 2 45 LEU H 2 46 GLU QB 3.449 . 4.139 4.256 4.182 4.310 0.171 12 0 "[ . 1 . 2 .]" 2
998 2 3 GLU QB 2 61 LEU H 3.946 . 4.735 4.390 3.705 4.791 0.056 22 0 "[ . 1 . 2 .]" 2
999 2 3 GLU QB 2 79 ALA H 3.775 . 4.730 5.906 4.930 6.579 1.848 13 22 "[ ********* *+**** ****-**]" 2
1000 2 3 GLU QB 2 70 ASP H 3.529 . 4.235 3.696 2.888 4.361 0.126 11 0 "[ . 1 . 2 .]" 2
1001 2 72 GLN QB 2 76 ALA H 4.764 . 5.716 4.903 4.666 5.435 . 0 0 "[ . 1 . 2 .]" 2
1002 2 3 GLU QB 2 64 ASP H 3.836 . 4.603 4.467 3.463 5.162 0.559 15 1 "[ . 1 + 2 .]" 2
1003 2 54 VAL H 2 54 VAL HB 2.519 . 3.169 2.326 2.064 2.627 . 0 0 "[ . 1 . 2 .]" 2
1004 2 29 LYS H 2 32 GLU QG 3.816 . 4.580 2.925 1.838 3.940 . 0 0 "[ . 1 . 2 .]" 2
1005 2 21 ARG QB 2 21 ARG HE 3.118 . 4.124 2.887 1.853 4.129 0.006 19 0 "[ . 1 . 2 .]" 2
1006 2 41 LEU QB 2 43 HIS H 5.050 2.020 6.060 3.818 3.411 4.485 . 0 0 "[ . 1 . 2 .]" 2
1007 2 41 LEU QB 2 44 PHE H 3.974 . 4.768 3.012 2.462 4.015 . 0 0 "[ . 1 . 2 .]" 2
1008 2 75 MET QB 2 76 ALA H 2.716 . 3.366 2.780 2.565 3.426 0.060 13 0 "[ . 1 . 2 .]" 2
1009 2 75 MET H 2 75 MET QB 2.661 . 3.311 2.229 1.904 2.757 . 0 0 "[ . 1 . 2 .]" 2
1010 2 27 LYS H 2 27 LYS QB 2.903 . 3.553 2.569 2.299 2.703 . 0 0 "[ . 1 . 2 .]" 2
1011 2 61 LEU QB 2 63 SER H 3.872 . 4.647 4.607 4.237 4.787 0.140 5 0 "[ . 1 . 2 .]" 2
1012 2 29 LYS QB 2 31 SER H 2.842 . 3.492 2.623 2.142 3.195 . 0 0 "[ . 1 . 2 .]" 2
1013 2 29 LYS QB 2 32 GLU H 3.062 . 3.712 2.674 2.281 3.401 . 0 0 "[ . 1 . 2 .]" 2
1014 2 29 LYS QB 2 33 LEU H 3.483 . 4.180 4.194 3.979 4.293 0.113 15 0 "[ . 1 . 2 .]" 2
1015 2 21 ARG HE 2 21 ARG QG 4.995 . 6.001 2.493 1.992 3.305 0.006 9 0 "[ . 1 . 2 .]" 2
1016 2 27 LYS H 2 27 LYS QD 3.769 . 4.523 3.673 2.472 4.749 0.227 15 0 "[ . 1 . 2 .]" 2
1017 2 25 LYS HB3 2 69 CYS H 4.185 . 5.022 3.208 2.134 4.016 . 0 0 "[ . 1 . 2 .]" 2
1018 2 30 LYS QG 2 68 GLU H 4.882 . 5.859 5.100 3.752 5.896 0.037 9 0 "[ . 1 . 2 .]" 2
1019 2 33 LEU HG 2 77 PHE H 6.868 2.747 8.241 6.332 5.218 7.319 . 0 0 "[ . 1 . 2 .]" 2
1020 2 28 LEU QB 2 78 VAL H 3.366 . 4.039 4.030 3.605 4.167 0.128 15 0 "[ . 1 . 2 .]" 2
1021 2 14 VAL H 2 14 VAL QG 2.405 . 3.055 1.976 1.636 2.393 . 0 0 "[ . 1 . 2 .]" 2
1022 2 76 ALA MB 2 78 VAL H 3.417 . 4.100 4.273 4.173 4.357 0.257 9 0 "[ . 1 . 2 .]" 2
1023 2 5 GLU H 2 8 VAL QG 3.373 . 4.047 4.348 3.906 5.413 1.366 21 7 "[ * .* * 1- ** 2+ .]" 2
1024 2 72 GLN QE 2 76 ALA MB 4.334 . 5.201 3.965 2.453 5.216 0.015 10 0 "[ . 1 . 2 .]" 2
1025 2 14 VAL QG 2 17 GLN QE 4.808 . 5.770 4.249 2.328 5.780 0.011 24 0 "[ . 1 . 2 .]" 2
1026 2 7 ALA H 2 8 VAL QG 4.916 . 5.899 4.300 4.060 4.538 . 0 0 "[ . 1 . 2 .]" 2
1027 2 14 VAL QG 2 15 PHE H 2.891 . 3.541 2.899 1.734 3.223 . 0 0 "[ . 1 . 2 .]" 2
1028 2 8 VAL QG 2 82 THR H 5.173 2.069 6.208 11.788 10.734 13.036 6.828 25 25 [*-**********************+] 2
1029 2 56 LYS H 2 57 VAL QG 3.664 . 4.397 4.181 3.883 4.368 . 0 0 "[ . 1 . 2 .]" 2
1030 2 57 VAL QG 2 81 ILE H 4.612 . 5.534 4.231 3.908 4.588 . 0 0 "[ . 1 . 2 .]" 2
1031 2 52 GLU H 2 53 VAL QG 3.619 . 4.343 4.088 3.747 4.363 0.019 23 0 "[ . 1 . 2 .]" 2
1032 2 2 SER H 2 4 LEU QD 4.645 . 5.574 5.196 4.279 5.698 0.124 6 0 "[ . 1 . 2 .]" 2
1033 2 7 ALA H 2 8 VAL QG 3.414 . 4.097 4.073 3.784 4.382 0.285 21 0 "[ . 1 . 2 .]" 2
1034 2 11 LEU QD 2 15 PHE H 5.038 2.015 6.046 4.668 3.919 5.375 . 0 0 "[ . 1 . 2 .]" 2
1035 2 54 VAL QG 2 55 ASP H 2.663 . 3.313 3.184 2.903 3.322 0.009 8 0 "[ . 1 . 2 .]" 2
1036 2 11 LEU H 2 11 LEU QD 2.740 . 3.390 2.523 1.605 2.999 . 0 0 "[ . 1 . 2 .]" 2
1037 2 54 VAL H 2 54 VAL QG 2.432 . 3.082 2.295 1.829 2.743 . 0 0 "[ . 1 . 2 .]" 2
1038 2 11 LEU QD 2 85 CYS H 3.478 . 4.173 3.934 3.497 4.222 0.049 25 0 "[ . 1 . 2 .]" 2
1039 2 11 LEU QD 2 79 ALA H 3.448 . 4.437 5.061 4.625 5.508 1.071 19 15 "[ * .** *1* *-* * +*** **]" 2
1040 2 25 LYS QG 2 64 ASP H 3.073 . 3.723 3.332 3.021 3.623 . 0 0 "[ . 1 . 2 .]" 2
1041 2 57 VAL QG 2 61 LEU H 3.823 . 4.588 4.165 3.914 4.458 . 0 0 "[ . 1 . 2 .]" 2
1042 2 57 VAL QG 2 60 THR H 4.268 . 5.121 4.663 4.421 5.049 . 0 0 "[ . 1 . 2 .]" 2
1043 2 33 LEU QD 2 34 LYS H 4.050 . 4.860 3.720 2.862 3.939 . 0 0 "[ . 1 . 2 .]" 2
1044 2 33 LEU QD 2 77 PHE H 3.794 . 4.553 3.993 3.531 4.375 . 0 0 "[ . 1 . 2 .]" 2
1045 2 47 GLU H 2 48 ILE MG 4.144 . 4.973 4.087 3.777 4.437 . 0 0 "[ . 1 . 2 .]" 2
1046 2 4 LEU QD 2 35 GLU H 4.070 . 4.884 3.983 3.797 4.107 . 0 0 "[ . 1 . 2 .]" 2
1047 2 45 LEU QD 2 46 GLU H 3.311 . 3.973 3.975 3.249 4.068 0.095 17 0 "[ . 1 . 2 .]" 2
1048 2 4 LEU QD 2 18 TYR H 3.838 . 4.844 2.923 2.369 3.246 . 0 0 "[ . 1 . 2 .]" 2
1049 2 45 LEU H 2 45 LEU QD 2.495 . 3.145 3.227 3.164 3.482 0.337 8 0 "[ . 1 . 2 .]" 2
1050 2 4 LEU QD 2 39 ASN H 3.409 . 4.091 3.839 3.615 3.976 . 0 0 "[ . 1 . 2 .]" 2
1051 2 4 LEU QD 2 40 GLU H 3.779 . 4.535 3.673 3.285 3.891 . 0 0 "[ . 1 . 2 .]" 2
1052 2 5 GLU H 2 36 LEU QD 4.246 . 5.095 10.000 9.142 10.443 5.348 9 25 [**-*****+****************] 2
1053 2 36 LEU QD 2 82 THR H 3.969 . 4.763 3.276 2.692 3.946 . 0 0 "[ . 1 . 2 .]" 2
1054 2 8 VAL H 2 36 LEU QD 3.804 . 4.565 7.868 7.298 8.315 3.750 19 25 [***************-**+******] 2
1055 2 28 LEU QD 2 32 GLU H 4.159 . 4.991 4.071 3.333 4.923 . 0 0 "[ . 1 . 2 .]" 2
1056 2 28 LEU QD 2 29 LYS H 3.500 . 4.200 2.891 1.895 3.834 . 0 0 "[ . 1 . 2 .]" 2
1057 2 28 LEU QD 2 33 LEU H 3.066 . 3.716 3.148 2.065 3.777 0.061 4 0 "[ . 1 . 2 .]" 2
1058 2 75 MET H 2 78 VAL QG 4.120 . 4.943 3.837 3.618 4.143 . 0 0 "[ . 1 . 2 .]" 2
1059 2 35 GLU H 2 37 ILE MD 4.704 . 5.645 5.130 4.402 5.729 0.085 2 0 "[ . 1 . 2 .]" 2
1060 2 78 VAL QG 2 81 ILE H 4.284 . 5.140 4.273 4.018 4.938 . 0 0 "[ . 1 . 2 .]" 2
1061 2 28 LEU QD 2 69 CYS H 4.391 . 5.269 4.821 3.972 5.342 0.074 17 0 "[ . 1 . 2 .]" 2
1062 2 28 LEU H 2 28 LEU QD 3.733 . 4.480 3.188 1.854 3.800 . 0 0 "[ . 1 . 2 .]" 2
1063 2 18 TYR H 2 28 LEU QD 3.881 . 4.657 4.277 4.013 4.610 . 0 0 "[ . 1 . 2 .]" 2
1064 2 34 LYS H 2 61 LEU QD 2.937 2.448 3.587 3.184 2.423 3.617 0.030 14 0 "[ . 1 . 2 .]" 2
1065 2 35 GLU H 2 36 LEU QD 4.462 . 5.354 4.668 4.164 4.903 . 0 0 "[ . 1 . 2 .]" 2
1066 2 58 MET H 2 61 LEU QD 4.733 . 5.679 5.017 4.192 5.563 . 0 0 "[ . 1 . 2 .]" 2
1067 2 15 PHE H 2 36 LEU QD 5.158 2.063 6.189 5.027 4.730 5.317 . 0 0 "[ . 1 . 2 .]" 2
1068 2 33 LEU H 2 61 LEU QD 4.712 . 5.654 4.379 3.536 4.898 . 0 0 "[ . 1 . 2 .]" 2
1069 2 10 ALA H 2 12 ILE QG 4.813 . 5.776 3.717 3.175 4.021 . 0 0 "[ . 1 . 2 .]" 2
1070 2 53 VAL QG 2 80 MET HA 5.097 2.039 6.117 6.174 5.387 6.299 0.182 19 0 "[ . 1 . 2 .]" 2
1071 2 15 PHE HA 2 15 PHE QE 2.343 . 3.749 3.771 2.700 4.015 0.266 17 0 "[ . 1 . 2 .]" 2
1072 2 57 VAL QG 2 81 ILE MG 0.860 . 2.100 1.911 1.522 2.165 0.065 20 0 "[ . 1 . 2 .]" 2
1073 2 37 ILE MD 2 81 ILE MG 3.885 . 4.891 3.799 3.153 4.904 0.012 10 0 "[ . 1 . 2 .]" 2
1074 2 5 GLU HA 2 15 PHE HZ 3.333 . 4.339 4.070 3.344 4.769 0.430 10 0 "[ . 1 . 2 .]" 2
1075 2 32 GLU H 2 33 LEU QB 3.478 . 4.173 4.212 4.117 4.301 0.127 14 0 "[ . 1 . 2 .]" 2
1076 2 33 LEU QD 2 78 VAL QG 1.856 . 2.862 2.758 2.263 3.005 0.143 4 0 "[ . 1 . 2 .]" 2
1077 2 6 LYS QE 2 83 THR HA 3.436 . 4.442 3.005 1.632 4.565 0.123 13 0 "[ . 1 . 2 .]" 2
1078 2 33 LEU QD 2 78 VAL H 3.088 . 3.738 3.583 3.234 3.805 0.067 1 0 "[ . 1 . 2 .]" 2
1079 2 39 ASN H 2 40 GLU QB 3.703 . 4.443 4.412 4.120 4.535 0.092 5 0 "[ . 1 . 2 .]" 2
1080 2 4 LEU QD 2 74 PHE QE 2.394 . 3.400 8.965 6.827 10.829 7.428 8 25 [**-****+*****************] 2
1081 2 3 GLU QG 2 10 ALA MB 4.244 . 5.250 7.522 5.714 8.867 3.618 3 24 [**+***********.*****-****] 2
1082 2 48 ILE MD 2 51 GLN QB 3.692 . 4.698 4.286 2.570 4.746 0.049 14 0 "[ . 1 . 2 .]" 2
1083 2 57 VAL QG 2 80 MET QB 3.891 . 4.897 4.329 3.928 4.792 . 0 0 "[ . 1 . 2 .]" 2
1084 2 53 VAL QG 2 84 ALA MB 1.306 . 2.312 1.600 1.455 2.053 . 0 0 "[ . 1 . 2 .]" 2
1085 2 5 GLU HA 2 41 LEU QD 2.155 . 3.161 3.796 3.198 4.699 1.537 3 16 "[**+*.* -** ** ** ** * *]" 2
1086 2 32 GLU HB3 2 36 LEU QD 3.262 . 4.268 4.115 3.273 4.353 0.085 3 0 "[ . 1 . 2 .]" 2
1087 2 4 LEU QD 2 78 VAL QG 3.567 . 4.573 6.968 5.287 8.294 3.722 8 25 [**-****+*****************] 2
1088 2 49 LYS QD 2 50 GLU QG 4.141 . 5.147 5.044 4.373 5.236 0.089 7 0 "[ . 1 . 2 .]" 2
1089 2 47 GLU QG 2 57 VAL QG 4.093 . 5.099 3.825 2.770 5.142 0.043 21 0 "[ . 1 . 2 .]" 2
1090 2 57 VAL QG 2 80 MET QG 4.789 . 5.795 4.940 3.640 5.843 0.048 10 0 "[ . 1 . 2 .]" 2
1091 2 8 VAL QG 2 78 VAL QG 1.889 . 2.895 3.197 2.270 4.067 1.172 13 7 "[ . * 1 + * ** *-]" 2
1092 2 3 GLU QB 2 10 ALA MB 2.799 . 3.805 7.181 6.399 7.996 4.191 2 25 [*+******************-****] 2
1093 2 14 VAL HA 2 72 GLN QE 3.887 . 4.664 4.831 4.307 9.703 5.038 13 1 "[ . 1 + . 2 .]" 2
1094 2 15 PHE HZ 2 57 VAL HA 4.262 . 5.268 5.039 4.276 5.440 0.172 16 0 "[ . 1 . 2 .]" 2
1095 2 44 PHE QB 2 57 VAL QG 2.875 . 3.881 3.867 3.301 4.038 0.157 21 0 "[ . 1 . 2 .]" 2
1096 2 7 ALA H 2 33 LEU QD 3.847 . 4.853 4.705 3.526 5.199 0.346 24 0 "[ . 1 . 2 .]" 2
1097 2 11 LEU QD 2 51 GLN QE 3.418 . 4.101 3.634 2.519 4.119 0.018 23 0 "[ . 1 . 2 .]" 2
1098 2 12 ILE MG 2 19 SER HA 3.540 . 4.546 9.101 8.393 9.739 5.193 7 25 [******+-*****************] 2
1099 2 30 LYS H 2 61 LEU QD 3.911 . 4.693 4.577 3.857 4.783 0.090 7 0 "[ . 1 . 2 .]" 2
1100 2 11 LEU QD 2 84 ALA HA 3.527 . 4.533 4.584 4.299 4.720 0.188 18 0 "[ . 1 . 2 .]" 2
1101 2 5 GLU QG 2 15 PHE H 2.873 . 3.523 3.547 2.982 3.715 0.192 12 0 "[ . 1 . 2 .]" 2
1102 2 4 LEU QD 2 50 GLU H 3.028 . 3.678 3.908 3.838 3.950 0.272 14 0 "[ . 1 . 2 .]" 2
1103 2 15 PHE QD 2 15 PHE QE 1.653 . 2.303 2.149 2.083 2.181 . 0 0 "[ . 1 . 2 .]" 2
1104 2 15 PHE QE 2 27 LYS HA 3.133 . 3.783 2.521 1.719 3.257 . 0 0 "[ . 1 . 2 .]" 2
1105 2 15 PHE QE 2 26 HIS HA 3.191 . 4.297 4.335 3.878 4.636 0.339 11 0 "[ . 1 . 2 .]" 2
1106 2 15 PHE QD 2 71 PHE HZ 2.959 . 3.609 4.187 3.207 5.165 1.556 5 11 "[****+*- 1* *. * 2 * .]" 2
1107 2 26 HIS HA 2 71 PHE HZ 4.183 . 5.019 4.110 2.823 5.110 0.091 14 0 "[ . 1 . 2 .]" 2
1108 2 15 PHE QD 2 26 HIS HD2 3.024 . 3.674 4.189 2.824 5.448 1.774 6 11 "[*****+ * *. * 2 * -]" 2
1109 2 15 PHE HA 2 18 TYR QD 3.345 . 4.014 3.430 2.719 3.819 . 0 0 "[ . 1 . 2 .]" 2
1110 2 18 TYR QD 2 21 ARG QD 3.076 . 3.926 3.741 3.125 4.064 0.138 19 0 "[ . 1 . 2 .]" 2
1111 2 18 TYR HA 2 18 TYR QD 2.715 . 3.365 2.785 1.636 2.999 . 0 0 "[ . 1 . 2 .]" 2
1112 2 14 VAL HA 2 18 TYR QD 3.304 . 3.965 2.907 2.169 4.238 0.273 14 0 "[ . 1 . 2 .]" 2
1113 2 17 GLN QB 2 18 TYR QD 1.949 . 2.599 2.762 2.639 3.571 0.972 3 1 "[ + . 1 . 2 .]" 2
1114 2 15 PHE HA 2 74 PHE QD 3.082 . 4.032 3.923 3.055 4.282 0.250 25 0 "[ . 1 . 2 .]" 2
1115 2 57 VAL HA 2 77 PHE QD 3.851 . 4.621 4.433 3.854 4.657 0.036 13 0 "[ . 1 . 2 .]" 2
1116 2 5 GLU QB 2 77 PHE QD 5.650 2.260 6.780 6.130 5.865 6.480 . 0 0 "[ . 1 . 2 .]" 2
1117 2 15 PHE HA 2 15 PHE QD 2.270 . 2.920 1.949 1.765 2.354 . 0 0 "[ . 1 . 2 .]" 2
1118 2 89 PHE HA 2 89 PHE QD 2.501 . 3.151 2.067 1.543 3.078 . 0 0 "[ . 1 . 2 .]" 2
1119 2 8 VAL HA 2 44 PHE QE 3.661 . 4.393 3.860 2.616 4.497 0.103 5 0 "[ . 1 . 2 .]" 2
1120 2 5 GLU QB 2 44 PHE QE 2.653 . 3.303 2.583 1.752 3.340 0.037 8 0 "[ . 1 . 2 .]" 2
1121 2 8 VAL HA 2 89 PHE QE 3.730 . 4.476 11.440 8.223 14.532 10.056 13 25 [*********-**+************] 2
1122 2 23 GLY QA 2 44 PHE QD 3.272 . 4.126 3.455 2.252 4.264 0.138 21 0 "[ . 1 . 2 .]" 2
1123 2 5 GLU HA 2 44 PHE QD 3.511 . 4.213 3.484 2.253 4.244 0.030 25 0 "[ . 1 . 2 .]" 2
1124 2 5 GLU QB 2 44 PHE QD 3.834 . 4.601 3.004 1.878 3.791 . 0 0 "[ . 1 . 2 .]" 2
1125 2 6 LYS QE 2 44 PHE QD 3.417 . 4.101 4.070 3.028 4.237 0.137 4 0 "[ . 1 . 2 .]" 2
1126 2 15 PHE HB3 2 71 PHE HZ 3.474 . 4.169 4.203 3.144 4.733 0.564 25 1 "[ . 1 . 2 +]" 2
1127 2 5 GLU QG 2 74 PHE QE 3.188 . 3.838 2.423 1.838 3.034 . 0 0 "[ . 1 . 2 .]" 2
1128 2 11 LEU HA 2 74 PHE QE 2.629 . 3.279 3.157 2.570 3.424 0.145 20 0 "[ . 1 . 2 .]" 2
1129 2 74 PHE QE 2 75 MET HA 3.709 . 4.450 3.849 3.349 4.447 . 0 0 "[ . 1 . 2 .]" 2
1130 2 19 SER HA 2 26 HIS HD2 3.617 . 4.341 4.289 3.806 4.464 0.123 19 0 "[ . 1 . 2 .]" 2
1131 2 19 SER QB 2 26 HIS HD2 3.774 . 4.528 3.200 2.137 4.231 . 0 0 "[ . 1 . 2 .]" 2
1132 2 18 TYR QE 2 39 ASN QB 2.307 . 4.307 3.646 3.242 4.339 0.032 8 0 "[ . 1 . 2 .]" 2
1133 2 18 TYR QE 2 35 GLU QB 1.912 . 2.562 2.678 2.479 2.766 0.203 22 0 "[ . 1 . 2 .]" 2
1134 2 18 TYR QD 2 36 LEU QB 3.377 . 4.453 3.253 2.656 3.998 . 0 0 "[ . 1 . 2 .]" 2
1135 2 4 LEU QD 2 18 TYR QD 3.216 . 3.866 2.932 2.370 3.267 . 0 0 "[ . 1 . 2 .]" 2
1136 2 18 TYR QD 2 28 LEU QD 2.498 . 3.148 2.183 1.717 3.007 . 0 0 "[ . 1 . 2 .]" 2
1137 2 74 PHE QD 2 75 MET QG 2.425 . 3.675 3.144 1.789 3.787 0.112 21 0 "[ . 1 . 2 .]" 2
1138 2 4 LEU QD 2 74 PHE QD 2.746 . 3.396 3.121 2.806 3.471 0.075 8 0 "[ . 1 . 2 .]" 2
1139 2 74 PHE QD 2 78 VAL QG 2.741 . 3.391 2.925 2.506 3.515 0.124 2 0 "[ . 1 . 2 .]" 2
1140 2 6 LYS QD 2 88 PHE QE 3.802 . 4.562 6.666 4.887 9.102 4.540 10 24 "[***-*****+************ **]" 2
1141 2 15 PHE QD 2 28 LEU HG 2.594 . 4.244 4.666 3.840 6.434 2.190 24 7 "[ .*- 1 ** .* *2 +.]" 2
1142 2 17 GLN QB 2 44 PHE QE 3.763 . 4.515 3.096 1.853 3.706 . 0 0 "[ . 1 . 2 .]" 2
1143 2 44 PHE QE 2 57 VAL QG 2.472 . 3.122 2.437 1.626 3.212 0.090 17 0 "[ . 1 . 2 .]" 2
1144 2 44 PHE QE 2 81 ILE MG 2.669 . 3.319 1.985 1.683 3.079 . 0 0 "[ . 1 . 2 .]" 2
1145 2 41 LEU QD 2 44 PHE QE 3.366 . 4.040 2.614 1.730 4.007 . 0 0 "[ . 1 . 2 .]" 2
1146 2 15 PHE QE 2 28 LEU QD 2.478 . 3.128 2.239 1.757 3.232 0.104 20 0 "[ . 1 . 2 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 10
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 55.992
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.0560
_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 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 LEU 0.092 0.057 13 0 "[ . 1 . 2 .]"
1 18 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 LYS 0.092 0.057 13 0 "[ . 1 . 2 .]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 41 LEU 0.580 0.195 8 0 "[ . 1 . 2 .]"
1 44 PHE 1.113 0.195 8 0 "[ . 1 . 2 .]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 ILE 0.092 0.057 13 0 "[ . 1 . 2 .]"
1 54 VAL 0.092 0.057 13 0 "[ . 1 . 2 .]"
1 57 VAL 0.440 0.112 1 0 "[ . 1 . 2 .]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 81 ILE 0.092 0.057 13 0 "[ . 1 . 2 .]"
1 82 THR 0.092 0.057 13 0 "[ . 1 . 2 .]"
2 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 11 LEU 0.092 0.060 13 0 "[ . 1 . 2 .]"
2 18 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 25 LYS 0.092 0.060 13 0 "[ . 1 . 2 .]"
2 28 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 36 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 37 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 41 LEU 0.599 0.185 8 0 "[ . 1 . 2 .]"
2 44 PHE 1.127 0.185 8 0 "[ . 1 . 2 .]"
2 45 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 48 ILE 0.092 0.060 13 0 "[ . 1 . 2 .]"
2 54 VAL 0.092 0.060 13 0 "[ . 1 . 2 .]"
2 57 VAL 0.435 0.119 1 0 "[ . 1 . 2 .]"
2 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 78 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 81 ILE 0.092 0.060 13 0 "[ . 1 . 2 .]"
2 82 THR 0.092 0.060 13 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 44 PHE QD 1 57 VAL QG 2.731 . 3.381 3.101 2.319 3.493 0.112 1 0 "[ . 1 . 2 .]" 3
2 1 11 LEU QD 1 44 PHE QD 2.252 . 2.902 2.535 1.899 2.959 0.057 13 0 "[ . 1 . 2 .]" 3
3 1 41 LEU QD 1 44 PHE QD 2.104 . 2.754 2.583 1.977 2.949 0.195 8 0 "[ . 1 . 2 .]" 3
4 1 28 LEU QD 1 74 PHE QE 2.894 . 3.544 1.731 1.557 1.966 . 0 0 "[ . 1 . 2 .]" 3
5 1 4 LEU QD 1 18 TYR QE 2.659 . 3.309 2.178 1.956 2.439 . 0 0 "[ . 1 . 2 .]" 3
6 2 44 PHE QD 2 57 VAL QG 2.731 . 3.381 3.099 2.317 3.500 0.119 1 0 "[ . 1 . 2 .]" 3
7 2 11 LEU QD 2 44 PHE QD 2.252 . 2.902 2.535 1.899 2.962 0.060 13 0 "[ . 1 . 2 .]" 3
8 2 41 LEU QD 2 44 PHE QD 2.104 . 2.754 2.583 1.960 2.938 0.185 8 0 "[ . 1 . 2 .]" 3
9 2 28 LEU QD 2 74 PHE QE 2.894 . 3.544 1.721 1.557 1.943 . 0 0 "[ . 1 . 2 .]" 3
10 2 4 LEU QD 2 18 TYR QE 2.659 . 3.309 2.186 1.961 2.431 . 0 0 "[ . 1 . 2 .]" 3
stop_
save_
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