NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
456968 |
2kuh   |
16764 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kuh
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 44
_Distance_constraint_stats_list.Viol_count 30
_Distance_constraint_stats_list.Viol_total 81.052
_Distance_constraint_stats_list.Viol_max 1.656
_Distance_constraint_stats_list.Viol_rms 0.2464
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0737
_Distance_constraint_stats_list.Viol_average_violations_only 0.5403
_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 8 PHE 0.000 0.000 . 0 "[ .]"
1 11 PHE 0.000 0.000 . 0 "[ .]"
1 18 TYR 0.000 0.000 . 0 "[ .]"
1 19 ILE 0.000 0.000 . 0 "[ .]"
1 24 LEU 6.537 1.656 3 5 [**+-*]
1 27 VAL 2.030 0.652 3 2 "[ + -]"
1 28 MET 2.684 0.964 5 3 "[-* +]"
1 31 LEU 0.047 0.047 5 0 "[ .]"
1 33 GLU 0.000 0.000 . 0 "[ .]"
1 35 LEU 0.398 0.370 1 0 "[ .]"
1 43 MET 0.600 0.250 1 0 "[ .]"
1 47 ALA 0.000 0.000 . 0 "[ .]"
1 55 VAL 0.000 0.000 . 0 "[ .]"
1 60 PHE 0.000 0.000 . 0 "[ .]"
1 63 MET 2.914 0.778 5 4 "[* -*+]"
1 64 MET 1.002 0.447 4 0 "[ .]"
4 1 HLT 16.210 1.656 3 5 [**+*-]
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 24 LEU QD 4 1 HLT HC1 4.500 4.000 6.000 2.693 2.344 3.167 1.656 3 5 [**+-*] 1
2 1 27 VAL QG 4 1 HLT HC1 6.000 4.500 8.000 4.094 3.848 4.272 0.652 3 2 "[ + -]" 1
3 1 28 MET ME 4 1 HLT HC1 5.000 4.000 6.500 3.574 3.036 4.432 0.964 5 3 "[-* +]" 1
4 1 31 LEU MD1 4 1 HLT HC1 6.000 4.500 8.000 5.604 4.998 6.276 . 0 0 "[ .]" 1
5 1 31 LEU MD2 4 1 HLT HC1 6.000 4.500 8.000 5.437 4.453 6.085 0.047 5 0 "[ .]" 1
6 1 43 MET ME 4 1 HLT HC1 5.000 4.000 6.500 4.609 3.793 5.448 0.207 2 0 "[ .]" 1
7 1 47 ALA MB 4 1 HLT HC1 5.000 4.000 6.500 5.254 4.964 5.671 . 0 0 "[ .]" 1
8 1 63 MET ME 4 1 HLT HC1 6.000 4.500 8.000 3.917 3.722 4.407 0.778 5 4 "[* -*+]" 1
9 1 64 MET ME 4 1 HLT HC1 5.000 4.000 6.500 3.871 3.553 4.355 0.447 4 0 "[ .]" 1
10 1 8 PHE QD 4 1 HLT HC1 4.000 3.900 24.000 9.418 9.218 9.768 . 0 0 "[ .]" 1
11 1 8 PHE HE1 4 1 HLT HC1 4.000 3.900 24.000 9.829 9.458 10.298 . 0 0 "[ .]" 1
12 1 11 PHE HD1 4 1 HLT HC1 4.000 3.900 24.000 11.592 11.355 11.722 . 0 0 "[ .]" 1
13 1 11 PHE HE1 4 1 HLT HC1 4.000 3.900 24.000 11.198 10.865 11.491 . 0 0 "[ .]" 1
14 1 18 TYR HD1 4 1 HLT HC1 4.000 3.900 24.000 16.553 16.222 17.029 . 0 0 "[ .]" 1
15 1 18 TYR HE1 4 1 HLT HC1 4.000 3.900 24.000 18.765 18.463 19.271 . 0 0 "[ .]" 1
16 1 8 PHE HE2 4 1 HLT HC1 4.000 3.900 24.000 13.945 13.535 14.437 . 0 0 "[ .]" 1
17 1 11 PHE HD2 4 1 HLT HC1 4.000 3.900 24.000 9.085 8.938 9.234 . 0 0 "[ .]" 1
18 1 11 PHE HE2 4 1 HLT HC1 4.000 3.900 24.000 8.535 8.234 8.783 . 0 0 "[ .]" 1
19 1 18 TYR HD2 4 1 HLT HC1 4.000 3.900 24.000 18.609 18.303 18.951 . 0 0 "[ .]" 1
20 1 18 TYR HE2 4 1 HLT HC1 4.000 3.900 24.000 20.586 20.321 20.972 . 0 0 "[ .]" 1
21 1 28 MET HB3 4 1 HLT HC1 4.000 3.900 24.000 6.692 6.176 7.600 . 0 0 "[ .]" 1
22 1 28 MET HB2 4 1 HLT HC1 4.000 3.900 24.000 7.082 6.563 8.028 . 0 0 "[ .]" 1
23 1 28 MET QG 4 1 HLT HC1 4.000 3.900 24.000 4.416 3.778 5.468 0.122 2 0 "[ .]" 1
24 1 28 MET HA 4 1 HLT HC1 4.500 4.400 24.500 5.910 5.501 6.570 . 0 0 "[ .]" 1
25 1 19 ILE MD 4 1 HLT HC1 5.000 4.900 25.000 9.287 8.903 9.765 . 0 0 "[ .]" 1
26 1 33 GLU QG 4 1 HLT HC1 5.000 4.900 25.000 9.174 8.689 9.494 . 0 0 "[ .]" 1
27 1 35 LEU QD 4 1 HLT HC1 5.000 4.900 25.000 4.909 4.530 5.069 0.370 1 0 "[ .]" 1
28 1 43 MET HB3 4 1 HLT HC1 4.000 3.900 24.000 5.776 5.308 6.721 . 0 0 "[ .]" 1
29 1 43 MET HB2 4 1 HLT HC1 4.000 3.900 24.000 7.039 6.647 7.806 . 0 0 "[ .]" 1
30 1 43 MET QG 4 1 HLT HC1 4.000 3.900 24.000 4.362 3.650 5.133 0.250 1 0 "[ .]" 1
31 1 43 MET HA 4 1 HLT HC1 4.000 3.900 24.000 5.533 5.105 6.028 . 0 0 "[ .]" 1
32 1 55 VAL QG 4 1 HLT HC1 5.000 4.900 25.000 6.569 6.343 6.887 . 0 0 "[ .]" 1
33 1 60 PHE HD1 4 1 HLT HC1 4.000 3.900 24.000 8.347 7.479 9.198 . 0 0 "[ .]" 1
34 1 60 PHE QE 4 1 HLT HC1 4.000 3.900 24.000 6.537 6.276 6.876 . 0 0 "[ .]" 1
35 1 60 PHE HD2 4 1 HLT HC1 4.000 3.900 24.000 8.360 7.694 9.011 . 0 0 "[ .]" 1
36 1 63 MET HB3 4 1 HLT HC1 4.000 3.900 24.000 6.097 5.722 6.890 . 0 0 "[ .]" 1
37 1 63 MET HB2 4 1 HLT HC1 4.000 3.900 24.000 6.714 6.366 7.432 . 0 0 "[ .]" 1
38 1 63 MET HG2 4 1 HLT HC1 4.000 3.900 24.000 4.815 4.172 5.307 . 0 0 "[ .]" 1
39 1 63 MET HG3 4 1 HLT HC1 4.000 3.900 24.000 5.375 4.874 5.978 . 0 0 "[ .]" 1
40 1 64 MET HA 4 1 HLT HC1 4.000 3.900 24.000 6.844 6.371 7.178 . 0 0 "[ .]" 1
41 1 64 MET HB3 4 1 HLT HC1 4.000 3.900 24.000 7.790 7.356 8.228 . 0 0 "[ .]" 1
42 1 64 MET HB2 4 1 HLT HC1 4.000 3.900 24.000 8.298 7.615 9.057 . 0 0 "[ .]" 1
43 1 64 MET HG3 4 1 HLT HC1 4.000 3.900 24.000 6.267 5.088 7.697 . 0 0 "[ .]" 1
44 1 64 MET HG2 4 1 HLT HC1 4.000 3.900 24.000 5.729 5.042 7.067 . 0 0 "[ .]" 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 771
_Distance_constraint_stats_list.Viol_count 698
_Distance_constraint_stats_list.Viol_total 1017.528
_Distance_constraint_stats_list.Viol_max 1.345
_Distance_constraint_stats_list.Viol_rms 0.1467
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0528
_Distance_constraint_stats_list.Viol_average_violations_only 0.2916
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 1.053 0.307 4 0 "[ .]"
1 2 GLU 1.255 0.274 5 0 "[ .]"
1 3 GLU 1.403 0.323 1 0 "[ .]"
1 4 ILE 8.137 0.697 4 5 [**-+*]
1 5 ARG 2.741 0.458 5 0 "[ .]"
1 6 GLU 2.852 0.323 1 0 "[ .]"
1 7 ALA 1.396 0.217 4 0 "[ .]"
1 8 PHE 4.375 0.546 4 1 "[ +.]"
1 9 ARG 0.001 0.001 4 0 "[ .]"
1 10 VAL 1.971 0.392 4 0 "[ .]"
1 11 PHE 5.896 0.546 4 1 "[ +.]"
1 12 ASP 3.167 0.479 4 0 "[ .]"
1 13 LYS 1.243 0.170 5 0 "[ .]"
1 14 ASP 2.102 0.491 4 0 "[ .]"
1 15 GLY 2.137 0.479 4 0 "[ .]"
1 16 ASN 2.180 0.218 4 0 "[ .]"
1 17 GLY 2.102 0.491 4 0 "[ .]"
1 18 TYR 1.501 0.194 1 0 "[ .]"
1 19 ILE 9.194 0.849 3 5 [*-+**]
1 20 SER 3.289 0.377 2 0 "[ .]"
1 21 ALA 4.065 0.454 3 0 "[ .]"
1 22 ALA 1.692 0.212 5 0 "[ .]"
1 23 GLU 2.091 0.326 5 0 "[ .]"
1 24 LEU 21.830 1.345 2 5 [*+**-]
1 25 ARG 4.151 0.602 1 1 "[+ .]"
1 26 HIS 2.544 0.572 5 3 "[*- +]"
1 27 VAL 17.938 1.161 2 5 [*+**-]
1 28 MET 17.426 1.161 2 5 [*+**-]
1 29 THR 3.002 0.426 2 0 "[ .]"
1 30 ASN 0.000 0.000 . 0 "[ .]"
1 31 LEU 6.003 0.572 5 3 "[*- +]"
1 32 GLY 0.000 0.000 . 0 "[ .]"
1 33 GLU 1.335 0.300 3 0 "[ .]"
1 34 LYS 2.999 0.346 5 0 "[ .]"
1 35 LEU 7.336 0.843 3 5 [*-+**]
1 36 THR 1.047 0.300 5 0 "[ .]"
1 37 ASP 3.284 0.556 4 2 "[- +.]"
1 38 GLU 6.061 0.608 1 3 "[+- *]"
1 39 GLU 5.795 0.608 1 3 "[+- *]"
1 40 VAL 11.049 0.862 4 3 "[- +*]"
1 41 ASP 5.090 0.751 5 2 "[ - +]"
1 42 GLU 0.109 0.067 3 0 "[ .]"
1 43 MET 19.582 1.345 2 5 [*+-**]
1 44 ILE 11.211 0.532 1 3 "[+- *]"
1 45 ARG 1.639 0.494 3 0 "[ .]"
1 46 GLU 0.000 0.000 . 0 "[ .]"
1 47 ALA 9.357 0.959 1 5 [+-***]
1 48 ASP 1.903 0.297 2 0 "[ .]"
1 49 ILE 7.038 0.482 1 0 "[ .]"
1 50 ASP 2.063 0.482 2 0 "[ .]"
1 51 GLY 1.902 0.242 5 0 "[ .]"
1 52 ASP 1.240 0.193 1 0 "[ .]"
1 53 GLY 0.000 0.000 . 0 "[ .]"
1 54 GLN 2.603 0.242 5 0 "[ .]"
1 55 VAL 14.294 0.942 4 5 [*-*+*]
1 56 ASN 3.225 0.423 1 0 "[ .]"
1 57 TYR 7.118 0.473 5 0 "[ .]"
1 58 GLU 6.716 0.473 5 0 "[ .]"
1 59 GLU 3.352 0.440 5 0 "[ .]"
1 60 PHE 4.832 0.716 1 5 [+-***]
1 61 VAL 9.864 0.738 4 5 [-**+*]
1 62 GLN 4.280 0.482 2 0 "[ .]"
1 63 MET 10.811 1.034 2 5 [*+***]
1 64 MET 2.151 0.407 3 0 "[ .]"
1 65 THR 1.231 0.317 3 0 "[ .]"
1 66 ALA 4.513 0.582 3 5 [-*+**]
1 67 LYS 4.203 0.582 3 5 [**+-*]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 4 ILE MD 3.800 2.700 5.700 4.883 4.847 4.924 . 0 0 "[ .]" 2
2 1 1 GLU HB2 1 4 ILE H 2.900 2.100 4.200 2.716 2.550 2.843 . 0 0 "[ .]" 2
3 1 1 GLU HG3 1 4 ILE H 3.200 2.300 4.700 4.911 4.719 5.007 0.307 4 0 "[ .]" 2
4 1 2 GLU H 1 2 GLU HA 2.900 2.400 3.500 2.879 2.868 2.895 . 0 0 "[ .]" 2
5 1 2 GLU H 1 2 GLU HB3 2.600 2.200 3.100 2.532 2.475 2.619 . 0 0 "[ .]" 2
6 1 2 GLU H 1 3 GLU H 2.500 . 3.600 2.550 2.488 2.631 . 0 0 "[ .]" 2
7 1 2 GLU H 1 6 GLU QB 3.200 2.400 4.600 4.494 4.457 4.527 . 0 0 "[ .]" 2
8 1 2 GLU HB3 1 6 GLU H 2.800 2.100 4.200 4.451 4.397 4.474 0.274 5 0 "[ .]" 2
9 1 3 GLU HA 1 4 ILE H 3.200 2.300 4.200 3.473 3.454 3.487 . 0 0 "[ .]" 2
10 1 3 GLU HA 1 5 ARG H 3.300 2.300 5.000 4.861 4.810 4.894 . 0 0 "[ .]" 2
11 1 3 GLU QG 1 6 GLU H 3.800 2.600 5.600 5.881 5.820 5.923 0.323 1 0 "[ .]" 2
12 1 4 ILE H 1 4 ILE HA 2.900 2.300 3.600 2.908 2.894 2.920 . 0 0 "[ .]" 2
13 1 4 ILE H 1 4 ILE MD 4.000 2.700 6.000 3.622 3.594 3.635 . 0 0 "[ .]" 2
14 1 4 ILE H 1 4 ILE QG 3.400 2.700 5.000 2.036 2.003 2.064 0.697 4 5 [*-*+*] 2
15 1 4 ILE HA 1 4 ILE HB 3.900 2.700 5.800 2.457 2.452 2.467 0.248 2 0 "[ .]" 2
16 1 4 ILE HA 1 4 ILE MD 4.600 2.900 7.100 4.194 4.188 4.204 . 0 0 "[ .]" 2
17 1 4 ILE HA 1 4 ILE QG 3.900 2.700 5.800 3.332 3.328 3.337 . 0 0 "[ .]" 2
18 1 4 ILE HB 1 4 ILE MD 4.300 3.000 6.500 2.501 2.492 2.521 0.508 1 3 "[+*- .]" 2
19 1 4 ILE HB 1 4 ILE QG 3.600 2.300 5.300 2.334 2.332 2.336 . 0 0 "[ .]" 2
20 1 4 ILE H 1 5 ARG H 2.800 2.100 4.100 2.726 2.696 2.750 . 0 0 "[ .]" 2
21 1 4 ILE HA 1 5 ARG H 4.200 2.900 6.500 3.516 3.479 3.537 . 0 0 "[ .]" 2
22 1 4 ILE HB 1 5 ARG H 3.800 2.700 5.700 3.707 3.690 3.733 . 0 0 "[ .]" 2
23 1 4 ILE MD 1 5 ARG H 5.100 3.400 8.100 3.865 3.845 3.896 . 0 0 "[ .]" 2
24 1 4 ILE QG 1 5 ARG HB2 3.300 2.400 4.900 2.719 2.686 2.748 . 0 0 "[ .]" 2
25 1 4 ILE HA 1 6 GLU QB 4.100 2.800 6.300 6.282 6.202 6.347 0.047 3 0 "[ .]" 2
26 1 4 ILE HA 1 7 ALA MB 4.200 2.900 6.500 3.457 3.342 3.498 . 0 0 "[ .]" 2
27 1 4 ILE MD 1 57 TYR HE1 4.500 2.800 7.000 5.533 5.491 5.583 . 0 0 "[ .]" 2
28 1 4 ILE MD 1 61 VAL HA 4.300 3.000 6.600 5.092 4.867 5.298 . 0 0 "[ .]" 2
29 1 5 ARG H 1 5 ARG HB2 3.500 2.200 5.100 2.537 2.416 2.644 . 0 0 "[ .]" 2
30 1 5 ARG H 1 5 ARG QD 4.100 2.800 6.200 4.315 4.227 4.495 . 0 0 "[ .]" 2
31 1 5 ARG H 1 5 ARG HG3 4.200 2.900 6.400 4.651 4.577 4.699 . 0 0 "[ .]" 2
32 1 5 ARG H 1 5 ARG HG2 3.800 2.500 5.600 4.570 4.489 4.630 . 0 0 "[ .]" 2
33 1 5 ARG HA 1 5 ARG QD 3.800 2.600 5.600 2.941 2.765 3.100 . 0 0 "[ .]" 2
34 1 5 ARG HA 1 5 ARG HG3 3.600 2.400 5.100 3.822 3.810 3.857 . 0 0 "[ .]" 2
35 1 5 ARG HB3 1 5 ARG QD 4.100 2.800 6.200 2.412 2.342 2.550 0.458 5 0 "[ .]" 2
36 1 5 ARG QD 1 5 ARG HG3 3.500 2.200 5.100 2.445 2.324 2.527 . 0 0 "[ .]" 2
37 1 5 ARG QD 1 5 ARG HG2 3.200 2.400 4.600 2.268 2.183 2.387 0.217 3 0 "[ .]" 2
38 1 5 ARG H 1 6 GLU H 2.600 2.200 3.100 2.511 2.448 2.538 . 0 0 "[ .]" 2
39 1 5 ARG H 1 6 GLU QB 3.100 2.300 4.600 4.425 4.375 4.471 . 0 0 "[ .]" 2
40 1 5 ARG HB2 1 6 GLU H 3.500 2.200 5.200 3.719 3.598 3.793 . 0 0 "[ .]" 2
41 1 5 ARG QD 1 6 GLU HA 3.900 2.700 6.400 2.770 2.600 3.075 0.100 3 0 "[ .]" 2
42 1 5 ARG QD 1 6 GLU QB 4.100 2.800 6.300 3.336 3.088 3.622 . 0 0 "[ .]" 2
43 1 5 ARG QD 1 6 GLU HG3 4.200 2.900 6.500 4.835 4.444 5.640 . 0 0 "[ .]" 2
44 1 5 ARG HG3 1 6 GLU H 4.100 2.800 6.300 4.698 4.592 4.746 . 0 0 "[ .]" 2
45 1 5 ARG HG3 1 6 GLU QB 3.700 2.600 5.600 5.279 5.185 5.351 . 0 0 "[ .]" 2
46 1 5 ARG HG2 1 6 GLU HA 3.900 2.700 6.400 5.357 5.185 5.524 . 0 0 "[ .]" 2
47 1 5 ARG HG2 1 8 PHE QD 4.400 3.000 6.800 4.284 4.011 4.780 . 0 0 "[ .]" 2
48 1 5 ARG QD 1 9 ARG HG3 3.100 2.300 4.700 4.438 4.199 4.682 . 0 0 "[ .]" 2
49 1 5 ARG H 1 57 TYR HE1 3.900 2.700 6.000 5.793 5.631 6.009 0.009 1 0 "[ .]" 2
50 1 5 ARG HA 1 57 TYR HD1 4.900 3.300 7.900 5.331 5.136 5.550 . 0 0 "[ .]" 2
51 1 5 ARG HA 1 57 TYR HE1 3.600 2.400 5.200 3.250 3.043 3.551 . 0 0 "[ .]" 2
52 1 5 ARG HB2 1 57 TYR HE1 4.900 3.300 7.900 4.643 4.310 4.929 . 0 0 "[ .]" 2
53 1 5 ARG QD 1 57 TYR HE1 4.000 2.700 6.300 4.597 4.389 4.911 . 0 0 "[ .]" 2
54 1 5 ARG HG3 1 57 TYR HE1 4.200 2.900 6.400 5.386 4.988 5.775 . 0 0 "[ .]" 2
55 1 5 ARG HG2 1 57 TYR HE1 4.000 2.700 6.000 3.678 3.302 4.069 . 0 0 "[ .]" 2
56 1 6 GLU HA 1 6 GLU QB 2.700 . 3.800 2.320 2.281 2.357 . 0 0 "[ .]" 2
57 1 6 GLU QB 1 6 GLU HG2 2.200 . 3.000 2.352 2.241 2.499 . 0 0 "[ .]" 2
58 1 6 GLU H 1 7 ALA H 2.500 2.200 2.900 2.592 2.555 2.606 . 0 0 "[ .]" 2
59 1 6 GLU QB 1 7 ALA MB 4.100 2.800 6.300 4.317 4.180 4.428 . 0 0 "[ .]" 2
60 1 6 GLU HA 1 8 PHE H 3.700 2.500 5.400 4.227 4.114 4.298 . 0 0 "[ .]" 2
61 1 6 GLU HA 1 8 PHE QD 3.700 2.500 5.600 5.431 5.350 5.522 . 0 0 "[ .]" 2
62 1 6 GLU HA 1 9 ARG H 3.300 2.400 4.400 2.571 2.514 2.692 . 0 0 "[ .]" 2
63 1 7 ALA H 1 7 ALA HA 2.900 2.300 3.700 2.867 2.852 2.882 . 0 0 "[ .]" 2
64 1 7 ALA H 1 7 ALA MB 3.600 2.400 5.200 2.374 2.358 2.384 0.042 1 0 "[ .]" 2
65 1 7 ALA HA 1 7 ALA MB 3.200 2.200 4.400 2.127 2.124 2.132 0.076 5 0 "[ .]" 2
66 1 7 ALA H 1 8 PHE H 2.700 2.200 3.300 2.672 2.596 2.721 . 0 0 "[ .]" 2
67 1 7 ALA MB 1 8 PHE H 3.000 2.500 3.600 2.608 2.564 2.654 . 0 0 "[ .]" 2
68 1 7 ALA MB 1 8 PHE HA 4.300 2.800 6.600 3.958 3.914 3.997 . 0 0 "[ .]" 2
69 1 7 ALA H 1 9 ARG H 3.200 2.300 4.700 3.862 3.802 3.896 . 0 0 "[ .]" 2
70 1 7 ALA HA 1 10 VAL H 3.700 2.400 5.300 3.012 2.954 3.057 . 0 0 "[ .]" 2
71 1 7 ALA HA 1 10 VAL HB 3.700 2.600 5.600 2.681 2.623 2.733 . 0 0 "[ .]" 2
72 1 7 ALA HA 1 10 VAL QG 4.000 3.000 6.000 3.132 3.024 3.203 . 0 0 "[ .]" 2
73 1 7 ALA MB 1 10 VAL HB 4.300 3.000 6.600 3.759 3.671 3.829 . 0 0 "[ .]" 2
74 1 7 ALA H 1 11 PHE HD2 4.100 2.800 6.400 6.580 6.557 6.617 0.217 4 0 "[ .]" 2
75 1 7 ALA MB 1 11 PHE HD2 3.700 2.600 6.300 4.367 4.334 4.390 . 0 0 "[ .]" 2
76 1 7 ALA MB 1 60 PHE QE 4.300 2.900 6.600 5.082 4.852 5.226 . 0 0 "[ .]" 2
77 1 8 PHE H 1 8 PHE HA 2.900 2.300 3.700 2.812 2.793 2.831 . 0 0 "[ .]" 2
78 1 8 PHE H 1 8 PHE HB2 4.100 2.800 6.200 2.574 2.539 2.622 0.261 5 0 "[ .]" 2
79 1 8 PHE H 1 9 ARG H 2.900 2.300 3.700 2.813 2.770 2.848 . 0 0 "[ .]" 2
80 1 8 PHE HB2 1 9 ARG H 4.400 3.000 6.800 4.096 4.071 4.112 . 0 0 "[ .]" 2
81 1 8 PHE QD 1 9 ARG HD2 4.500 3.100 7.000 6.738 6.595 7.001 0.001 4 0 "[ .]" 2
82 1 8 PHE H 1 11 PHE HD2 4.100 2.900 6.200 4.183 4.124 4.289 . 0 0 "[ .]" 2
83 1 8 PHE HA 1 11 PHE H 4.200 2.900 6.500 2.920 2.889 2.945 0.011 4 0 "[ .]" 2
84 1 8 PHE QD 1 11 PHE HA 3.500 2.200 5.200 5.645 5.551 5.746 0.546 4 1 "[ +.]" 2
85 1 8 PHE QD 1 11 PHE HB2 4.000 2.800 6.100 2.953 2.873 3.088 . 0 0 "[ .]" 2
86 1 8 PHE QD 1 11 PHE HE2 2.700 . 3.900 4.102 4.075 4.134 0.234 3 0 "[ .]" 2
87 1 8 PHE HZ 1 17 GLY HA2 4.500 3.100 7.000 5.146 5.008 5.453 . 0 0 "[ .]" 2
88 1 8 PHE HA 1 19 ILE MD 4.500 3.000 7.000 4.873 4.682 5.057 . 0 0 "[ .]" 2
89 1 8 PHE QD 1 19 ILE MD 3.900 2.600 5.800 3.727 3.597 3.815 . 0 0 "[ .]" 2
90 1 8 PHE QD 1 27 VAL HB 3.800 2.600 5.600 4.920 4.747 5.076 . 0 0 "[ .]" 2
91 1 8 PHE QD 1 27 VAL QG 3.500 2.900 5.400 3.393 3.162 3.521 . 0 0 "[ .]" 2
92 1 8 PHE H 1 57 TYR HE1 3.600 2.300 6.000 5.677 5.367 5.896 . 0 0 "[ .]" 2
93 1 8 PHE HZ 1 57 TYR HD1 3.600 2.300 6.000 3.232 3.040 3.351 . 0 0 "[ .]" 2
94 1 8 PHE HA 1 60 PHE QE 4.000 2.700 6.000 4.321 4.202 4.454 . 0 0 "[ .]" 2
95 1 8 PHE HB2 1 60 PHE HD2 4.300 2.900 6.600 5.145 3.858 6.233 . 0 0 "[ .]" 2
96 1 8 PHE HE2 1 60 PHE HB3 3.900 2.700 6.500 5.747 5.585 5.881 . 0 0 "[ .]" 2
97 1 8 PHE QD 1 60 PHE HB3 4.200 2.900 7.100 4.547 4.392 4.743 . 0 0 "[ .]" 2
98 1 8 PHE QD 1 64 MET ME 3.800 2.700 5.900 4.674 4.514 4.911 . 0 0 "[ .]" 2
99 1 9 ARG H 1 9 ARG HA 3.100 2.300 4.500 2.885 2.876 2.895 . 0 0 "[ .]" 2
100 1 9 ARG H 1 9 ARG HB2 3.000 2.300 4.000 2.465 2.391 2.604 . 0 0 "[ .]" 2
101 1 9 ARG H 1 9 ARG HD2 3.900 2.700 5.800 4.852 4.529 5.084 . 0 0 "[ .]" 2
102 1 9 ARG H 1 9 ARG HG2 3.500 2.200 5.000 4.462 4.395 4.531 . 0 0 "[ .]" 2
103 1 9 ARG HA 1 9 ARG HB2 3.000 2.300 4.000 2.493 2.402 2.553 . 0 0 "[ .]" 2
104 1 9 ARG HA 1 9 ARG HD2 3.700 2.600 5.400 4.151 3.488 4.478 . 0 0 "[ .]" 2
105 1 9 ARG HA 1 9 ARG HG2 3.400 2.200 5.000 2.733 2.209 3.143 . 0 0 "[ .]" 2
106 1 9 ARG H 1 10 VAL H 2.600 2.200 3.100 2.613 2.582 2.631 . 0 0 "[ .]" 2
107 1 9 ARG H 1 10 VAL QG 4.100 2.800 6.300 4.301 4.246 4.332 . 0 0 "[ .]" 2
108 1 9 ARG HA 1 10 VAL H 3.300 2.400 4.600 3.541 3.513 3.560 . 0 0 "[ .]" 2
109 1 10 VAL H 1 10 VAL HA 2.900 2.300 3.600 2.914 2.903 2.928 . 0 0 "[ .]" 2
110 1 10 VAL H 1 10 VAL QG 3.700 2.400 4.800 2.409 2.377 2.440 0.023 3 0 "[ .]" 2
111 1 10 VAL HA 1 10 VAL HB 3.500 2.300 5.000 3.004 3.003 3.006 . 0 0 "[ .]" 2
112 1 10 VAL HA 1 10 VAL QG 3.700 2.500 4.900 2.114 2.108 2.118 0.392 4 0 "[ .]" 2
113 1 10 VAL HA 1 11 PHE H 3.500 2.300 4.900 3.450 3.438 3.457 . 0 0 "[ .]" 2
114 1 10 VAL HB 1 11 PHE H 3.500 2.300 5.000 2.860 2.803 2.914 . 0 0 "[ .]" 2
115 1 10 VAL QG 1 11 PHE H 3.800 2.500 5.600 3.230 3.190 3.263 . 0 0 "[ .]" 2
116 1 10 VAL QG 1 13 LYS HD3 3.800 2.700 5.700 3.342 3.225 3.434 . 0 0 "[ .]" 2
117 1 11 PHE H 1 11 PHE HA 3.000 2.300 3.800 2.812 2.803 2.825 . 0 0 "[ .]" 2
118 1 11 PHE H 1 11 PHE HB2 2.900 2.300 3.600 2.504 2.489 2.527 . 0 0 "[ .]" 2
119 1 11 PHE HA 1 11 PHE HB2 3.900 2.700 5.800 3.029 3.027 3.033 . 0 0 "[ .]" 2
120 1 11 PHE H 1 12 ASP H 2.800 2.300 3.400 2.704 2.663 2.737 . 0 0 "[ .]" 2
121 1 11 PHE HA 1 12 ASP H 4.100 2.800 6.300 3.527 3.501 3.555 . 0 0 "[ .]" 2
122 1 11 PHE HB2 1 12 ASP H 3.500 2.200 5.200 2.426 2.375 2.454 . 0 0 "[ .]" 2
123 1 11 PHE HD1 1 13 LYS HB2 4.000 2.800 6.000 6.120 6.066 6.161 0.161 1 0 "[ .]" 2
124 1 11 PHE HA 1 19 ILE MD 4.500 3.100 6.900 5.009 4.878 5.213 . 0 0 "[ .]" 2
125 1 11 PHE HB2 1 23 GLU HG2 4.000 2.700 6.000 5.005 4.920 5.131 . 0 0 "[ .]" 2
126 1 11 PHE HA 1 27 VAL QG 4.000 2.900 6.000 3.260 3.081 3.464 . 0 0 "[ .]" 2
127 1 11 PHE HD2 1 27 VAL H 3.800 2.700 5.600 5.825 5.697 5.907 0.307 4 0 "[ .]" 2
128 1 11 PHE HD2 1 31 LEU MD2 3.900 2.700 6.000 5.125 5.065 5.174 . 0 0 "[ .]" 2
129 1 11 PHE HD2 1 60 PHE HD2 3.500 2.700 5.300 5.176 4.908 5.321 0.021 3 0 "[ .]" 2
130 1 11 PHE HE2 1 64 MET ME 3.700 2.400 5.500 3.927 3.668 4.068 . 0 0 "[ .]" 2
131 1 12 ASP H 1 12 ASP HA 3.200 2.300 4.600 2.935 2.920 2.949 . 0 0 "[ .]" 2
132 1 12 ASP H 1 12 ASP HB3 2.800 2.300 4.500 2.670 2.614 2.692 . 0 0 "[ .]" 2
133 1 12 ASP HA 1 12 ASP HB3 3.300 2.200 4.500 3.021 3.016 3.029 . 0 0 "[ .]" 2
134 1 12 ASP HA 1 13 LYS H 2.500 2.200 2.900 2.141 2.122 2.159 0.078 1 0 "[ .]" 2
135 1 12 ASP H 1 15 GLY HA2 3.300 2.400 4.900 5.327 5.243 5.379 0.479 4 0 "[ .]" 2
136 1 12 ASP H 1 19 ILE MD 4.100 2.700 6.100 3.690 3.583 3.869 . 0 0 "[ .]" 2
137 1 12 ASP HA 1 19 ILE MD 4.000 2.300 6.000 2.997 2.797 3.160 . 0 0 "[ .]" 2
138 1 12 ASP H 1 23 GLU HG2 3.100 2.300 4.800 4.947 4.908 4.990 0.190 3 0 "[ .]" 2
139 1 13 LYS H 1 13 LYS HA 2.900 2.300 3.600 2.847 2.825 2.862 . 0 0 "[ .]" 2
140 1 13 LYS H 1 13 LYS HB3 3.100 2.300 4.500 2.660 2.579 2.763 . 0 0 "[ .]" 2
141 1 13 LYS H 1 13 LYS HG2 3.300 2.400 4.800 4.635 4.595 4.678 . 0 0 "[ .]" 2
142 1 13 LYS HA 1 13 LYS HB3 3.200 2.300 4.600 3.020 3.016 3.022 . 0 0 "[ .]" 2
143 1 13 LYS HA 1 13 LYS HD3 3.800 2.700 5.600 2.762 2.612 2.888 0.088 4 0 "[ .]" 2
144 1 13 LYS HA 1 13 LYS HD2 3.400 2.100 5.000 2.383 2.012 3.146 0.088 3 0 "[ .]" 2
145 1 13 LYS HA 1 13 LYS HG3 3.800 2.700 5.600 3.057 2.990 3.208 . 0 0 "[ .]" 2
146 1 13 LYS HA 1 13 LYS HG2 3.900 2.700 5.800 3.766 3.719 3.841 . 0 0 "[ .]" 2
147 1 13 LYS HD3 1 13 LYS HE3 3.400 2.300 4.700 2.821 2.483 3.049 . 0 0 "[ .]" 2
148 1 13 LYS HD3 1 13 LYS HE2 3.400 2.300 4.700 2.410 2.333 2.485 . 0 0 "[ .]" 2
149 1 13 LYS HE3 1 13 LYS HG3 4.000 2.600 6.000 2.878 2.430 3.243 0.170 5 0 "[ .]" 2
150 1 13 LYS HE2 1 13 LYS HG3 4.000 2.600 6.000 3.606 3.244 3.852 . 0 0 "[ .]" 2
151 1 13 LYS H 1 23 GLU HG2 3.200 2.300 4.500 3.627 3.219 3.962 . 0 0 "[ .]" 2
152 1 13 LYS HD3 1 26 HIS HD1 4.000 2.700 6.000 5.577 5.034 5.968 . 0 0 "[ .]" 2
153 1 13 LYS HA 1 14 ASP H 3.600 2.500 5.200 3.492 3.455 3.515 . 0 0 "[ .]" 2
154 1 13 LYS HA 1 14 ASP HA 4.000 2.700 6.000 4.587 4.560 4.631 . 0 0 "[ .]" 2
155 1 13 LYS HB3 1 14 ASP H 3.500 2.300 5.000 2.887 2.813 2.949 . 0 0 "[ .]" 2
156 1 14 ASP H 1 14 ASP HA 3.000 2.300 3.900 2.926 2.919 2.935 . 0 0 "[ .]" 2
157 1 14 ASP H 1 14 ASP HB3 3.500 2.500 4.700 2.886 2.832 2.947 . 0 0 "[ .]" 2
158 1 14 ASP H 1 14 ASP HB2 3.300 2.400 4.400 3.612 3.559 3.660 . 0 0 "[ .]" 2
159 1 14 ASP HA 1 14 ASP HB3 2.700 2.200 3.300 2.369 2.328 2.400 . 0 0 "[ .]" 2
160 1 14 ASP H 1 15 GLY H 2.300 2.100 2.600 2.211 2.135 2.293 . 0 0 "[ .]" 2
161 1 14 ASP H 1 15 GLY HA3 4.100 2.800 6.100 4.883 4.790 4.967 . 0 0 "[ .]" 2
162 1 14 ASP H 1 17 GLY H 3.700 2.400 5.500 5.920 5.843 5.991 0.491 4 0 "[ .]" 2
163 1 15 GLY H 1 15 GLY HA2 2.700 2.100 3.300 2.337 2.302 2.359 . 0 0 "[ .]" 2
164 1 15 GLY H 1 16 ASN H 2.500 2.200 2.900 2.341 2.327 2.367 . 0 0 "[ .]" 2
165 1 15 GLY H 1 16 ASN HB2 4.100 2.800 6.300 5.944 5.914 5.977 . 0 0 "[ .]" 2
166 1 15 GLY HA3 1 16 ASN H 3.300 2.200 4.500 3.489 3.456 3.540 . 0 0 "[ .]" 2
167 1 15 GLY H 1 17 GLY H 3.300 2.400 4.500 4.125 4.034 4.178 . 0 0 "[ .]" 2
168 1 16 ASN H 1 16 ASN HA 3.000 2.300 3.800 2.888 2.872 2.910 . 0 0 "[ .]" 2
169 1 16 ASN H 1 16 ASN HB3 4.200 2.900 6.400 2.799 2.760 2.838 0.140 3 0 "[ .]" 2
170 1 16 ASN H 1 16 ASN HB2 3.800 2.700 5.600 3.657 3.629 3.686 . 0 0 "[ .]" 2
171 1 16 ASN H 1 16 ASN HD21 3.300 2.400 4.600 2.666 2.182 4.542 0.218 4 0 "[ .]" 2
172 1 16 ASN HA 1 16 ASN HB3 3.500 2.400 4.900 2.380 2.359 2.439 0.041 4 0 "[ .]" 2
173 1 16 ASN HA 1 16 ASN HB2 3.200 2.200 4.200 2.499 2.454 2.512 . 0 0 "[ .]" 2
174 1 16 ASN HA 1 16 ASN HD21 3.500 2.400 4.900 3.624 3.374 4.609 . 0 0 "[ .]" 2
175 1 16 ASN HB3 1 16 ASN HD21 4.100 2.800 6.200 3.298 2.781 3.432 0.019 3 0 "[ .]" 2
176 1 16 ASN HB3 1 16 ASN HD22 4.000 2.700 6.000 4.005 3.739 4.076 . 0 0 "[ .]" 2
177 1 16 ASN HB2 1 16 ASN HD21 3.600 2.400 5.100 2.985 2.368 3.154 0.032 3 0 "[ .]" 2
178 1 16 ASN HB2 1 16 ASN HD22 3.600 2.400 5.100 3.847 3.548 3.930 . 0 0 "[ .]" 2
179 1 16 ASN H 1 17 GLY H 2.500 2.200 2.900 2.621 2.361 2.712 . 0 0 "[ .]" 2
180 1 16 ASN H 1 18 TYR H 3.300 2.500 4.600 3.955 3.614 4.066 . 0 0 "[ .]" 2
181 1 16 ASN HD22 1 18 TYR H 3.800 2.700 5.700 2.688 2.506 3.313 0.194 1 0 "[ .]" 2
182 1 16 ASN HD22 1 18 TYR HD2 3.600 2.400 5.400 4.403 3.563 4.635 . 0 0 "[ .]" 2
183 1 17 GLY H 1 17 GLY HA3 3.000 2.300 3.800 2.964 2.954 2.985 . 0 0 "[ .]" 2
184 1 17 GLY H 1 17 GLY HA2 3.000 2.300 3.800 2.409 2.389 2.469 . 0 0 "[ .]" 2
185 1 17 GLY H 1 18 TYR H 2.500 2.200 2.900 2.728 2.257 2.878 . 0 0 "[ .]" 2
186 1 17 GLY H 1 18 TYR HD2 4.400 3.000 6.800 4.698 4.261 4.843 . 0 0 "[ .]" 2
187 1 17 GLY HA3 1 18 TYR H 3.600 2.400 5.100 3.095 3.011 3.279 . 0 0 "[ .]" 2
188 1 17 GLY HA2 1 18 TYR H 3.500 2.400 4.900 3.481 3.381 3.516 . 0 0 "[ .]" 2
189 1 18 TYR H 1 18 TYR HA 2.900 2.400 3.600 2.944 2.942 2.946 . 0 0 "[ .]" 2
190 1 18 TYR H 1 18 TYR HD2 3.000 2.100 4.000 2.669 2.594 2.859 . 0 0 "[ .]" 2
191 1 18 TYR HA 1 18 TYR HB2 3.600 2.300 5.200 3.039 3.038 3.042 . 0 0 "[ .]" 2
192 1 18 TYR HA 1 18 TYR HD2 3.600 2.300 5.200 4.191 4.170 4.221 . 0 0 "[ .]" 2
193 1 18 TYR HB2 1 18 TYR HD1 3.700 2.600 5.500 3.722 3.713 3.728 . 0 0 "[ .]" 2
194 1 18 TYR H 1 19 ILE H 3.800 2.700 5.600 4.414 4.366 4.439 . 0 0 "[ .]" 2
195 1 18 TYR HA 1 19 ILE H 2.700 2.300 3.200 2.152 2.126 2.183 0.174 1 0 "[ .]" 2
196 1 18 TYR HD2 1 19 ILE H 4.700 3.200 7.400 5.723 5.703 5.742 . 0 0 "[ .]" 2
197 1 18 TYR HB3 1 54 GLN HB3 3.800 2.700 5.600 4.054 3.924 4.291 . 0 0 "[ .]" 2
198 1 18 TYR HB3 1 54 GLN HG2 3.900 2.800 6.000 5.259 5.177 5.345 . 0 0 "[ .]" 2
199 1 18 TYR HD1 1 54 GLN HB2 4.000 2.600 6.000 5.072 4.896 5.311 . 0 0 "[ .]" 2
200 1 18 TYR HD1 1 54 GLN HG2 4.100 2.900 6.200 6.119 6.048 6.257 0.057 1 0 "[ .]" 2
201 1 18 TYR HE1 1 54 GLN HB3 4.300 2.900 6.600 6.400 6.196 6.536 . 0 0 "[ .]" 2
202 1 18 TYR HE1 1 54 GLN HE22 3.500 2.600 5.600 5.524 5.374 5.634 0.034 3 0 "[ .]" 2
203 1 18 TYR HD1 1 56 ASN H 4.200 2.700 6.400 5.859 5.747 6.006 . 0 0 "[ .]" 2
204 1 18 TYR HA 1 56 ASN HA 3.900 2.600 5.800 2.994 2.959 3.062 . 0 0 "[ .]" 2
205 1 18 TYR HD1 1 56 ASN HA 3.700 2.500 5.400 3.866 3.760 3.977 . 0 0 "[ .]" 2
206 1 18 TYR HD1 1 56 ASN HB2 4.000 2.700 6.000 4.116 3.698 4.354 . 0 0 "[ .]" 2
207 1 18 TYR HE1 1 56 ASN HA 4.000 2.600 6.000 5.872 5.776 5.974 . 0 0 "[ .]" 2
208 1 18 TYR HE1 1 56 ASN HB3 4.200 2.900 6.500 4.415 4.317 4.545 . 0 0 "[ .]" 2
209 1 18 TYR HD1 1 57 TYR H 4.000 2.700 6.000 4.902 4.841 4.976 . 0 0 "[ .]" 2
210 1 18 TYR HE1 1 57 TYR H 4.100 2.800 6.200 6.112 6.067 6.164 . 0 0 "[ .]" 2
211 1 19 ILE H 1 19 ILE HB 2.900 2.300 3.700 2.585 2.546 2.627 . 0 0 "[ .]" 2
212 1 19 ILE H 1 19 ILE MD 4.000 2.600 6.000 3.846 3.749 3.957 . 0 0 "[ .]" 2
213 1 19 ILE HA 1 19 ILE MD 4.200 2.700 6.300 1.952 1.851 2.048 0.849 3 5 [**+-*] 2
214 1 19 ILE HA 1 19 ILE HG12 4.000 2.600 6.000 2.876 2.779 2.957 . 0 0 "[ .]" 2
215 1 19 ILE HB 1 19 ILE MD 4.000 2.600 6.000 3.221 3.207 3.232 . 0 0 "[ .]" 2
216 1 19 ILE MD 1 19 ILE HG13 3.500 2.300 4.900 2.153 2.150 2.157 0.150 5 0 "[ .]" 2
217 1 19 ILE H 1 20 SER H 4.200 2.900 6.200 4.383 4.372 4.410 . 0 0 "[ .]" 2
218 1 19 ILE HA 1 20 SER H 3.300 2.400 4.900 2.052 2.023 2.069 0.377 2 0 "[ .]" 2
219 1 19 ILE MD 1 20 SER H 4.200 2.800 6.400 3.337 3.158 3.468 . 0 0 "[ .]" 2
220 1 19 ILE HA 1 24 LEU QD 4.300 3.000 6.700 5.430 5.373 5.517 . 0 0 "[ .]" 2
221 1 19 ILE MD 1 24 LEU QD 4.100 2.800 6.400 4.020 3.749 4.296 . 0 0 "[ .]" 2
222 1 19 ILE H 1 55 VAL H 3.100 2.200 4.100 3.940 3.871 3.981 . 0 0 "[ .]" 2
223 1 19 ILE H 1 55 VAL QG 4.300 2.800 6.600 3.926 3.858 3.997 . 0 0 "[ .]" 2
224 1 19 ILE HB 1 55 VAL H 4.000 2.700 6.000 4.282 4.235 4.354 . 0 0 "[ .]" 2
225 1 19 ILE HB 1 55 VAL QG 4.000 2.600 6.000 2.152 2.064 2.226 0.536 4 2 "[ - +.]" 2
226 1 19 ILE HG12 1 55 VAL HB 4.200 2.900 6.400 5.018 4.970 5.094 . 0 0 "[ .]" 2
227 1 19 ILE HG12 1 55 VAL QG 4.200 2.900 7.000 4.064 3.957 4.151 . 0 0 "[ .]" 2
228 1 19 ILE H 1 56 ASN HA 3.600 2.400 5.200 2.563 2.468 2.619 . 0 0 "[ .]" 2
229 1 20 SER H 1 20 SER HB2 3.900 2.500 5.700 3.305 3.099 3.885 . 0 0 "[ .]" 2
230 1 20 SER H 1 20 SER HB3 3.900 2.500 5.700 2.725 2.569 2.966 . 0 0 "[ .]" 2
231 1 20 SER HA 1 20 SER HB2 3.900 2.700 5.800 2.430 2.379 2.458 0.321 5 0 "[ .]" 2
232 1 20 SER H 1 21 ALA H 4.200 2.800 6.400 4.553 4.491 4.604 . 0 0 "[ .]" 2
233 1 20 SER HA 1 21 ALA H 3.400 2.100 5.100 2.288 2.239 2.339 . 0 0 "[ .]" 2
234 1 20 SER HA 1 21 ALA MB 4.500 3.000 7.000 4.083 4.035 4.102 . 0 0 "[ .]" 2
235 1 20 SER HB3 1 21 ALA H 3.500 2.200 4.700 3.775 3.641 3.913 . 0 0 "[ .]" 2
236 1 20 SER H 1 22 ALA H 4.200 2.900 6.500 4.926 4.893 4.963 . 0 0 "[ .]" 2
237 1 20 SER HB3 1 22 ALA H 4.500 3.100 7.000 3.513 3.170 4.465 . 0 0 "[ .]" 2
238 1 20 SER H 1 23 GLU H 3.400 2.100 5.100 3.278 3.194 3.318 . 0 0 "[ .]" 2
239 1 20 SER HB2 1 54 GLN HB3 3.800 2.700 6.100 6.120 6.017 6.190 0.090 2 0 "[ .]" 2
240 1 20 SER HB2 1 55 VAL QG 4.500 3.300 7.000 5.151 4.742 5.270 . 0 0 "[ .]" 2
241 1 21 ALA H 1 21 ALA HA 2.900 2.400 3.700 2.767 2.705 2.804 . 0 0 "[ .]" 2
242 1 21 ALA H 1 21 ALA MB 3.300 2.400 4.800 2.164 2.046 2.225 0.354 5 0 "[ .]" 2
243 1 21 ALA HA 1 21 ALA MB 3.000 2.300 3.800 2.151 2.127 2.157 0.173 5 0 "[ .]" 2
244 1 21 ALA H 1 22 ALA H 2.900 2.400 3.700 2.791 2.721 2.866 . 0 0 "[ .]" 2
245 1 21 ALA H 1 22 ALA HA 4.300 3.000 6.600 5.489 5.439 5.553 . 0 0 "[ .]" 2
246 1 21 ALA MB 1 22 ALA H 3.700 2.500 6.000 2.329 2.288 2.362 0.212 5 0 "[ .]" 2
247 1 21 ALA HA 1 24 LEU H 4.200 2.900 6.500 3.084 2.984 3.197 . 0 0 "[ .]" 2
248 1 21 ALA HA 1 24 LEU QD 4.100 2.800 6.300 3.867 3.779 3.951 . 0 0 "[ .]" 2
249 1 21 ALA MB 1 25 ARG HB2 5.000 3.400 8.000 5.381 5.113 5.609 . 0 0 "[ .]" 2
250 1 21 ALA MB 1 37 ASP HA 4.600 3.100 7.500 5.543 5.442 5.672 . 0 0 "[ .]" 2
251 1 21 ALA MB 1 40 VAL MG2 3.900 2.700 5.700 3.993 3.949 4.035 . 0 0 "[ .]" 2
252 1 21 ALA MB 1 41 ASP H 3.700 2.600 5.900 4.476 4.349 4.589 . 0 0 "[ .]" 2
253 1 21 ALA MB 1 41 ASP HA 4.800 3.200 7.800 3.421 3.277 3.569 . 0 0 "[ .]" 2
254 1 21 ALA MB 1 43 MET H 3.700 2.400 5.600 4.583 4.352 4.761 . 0 0 "[ .]" 2
255 1 21 ALA MB 1 43 MET HA 4.200 3.000 6.500 5.610 5.380 5.883 . 0 0 "[ .]" 2
256 1 21 ALA H 1 44 ILE MD 4.100 2.800 6.600 3.480 3.244 3.821 . 0 0 "[ .]" 2
257 1 21 ALA HA 1 44 ILE MD 4.000 2.600 6.000 4.434 4.159 4.684 . 0 0 "[ .]" 2
258 1 21 ALA MB 1 44 ILE MD 3.700 2.500 5.400 2.243 2.046 2.437 0.454 3 0 "[ .]" 2
259 1 21 ALA MB 1 55 VAL HB 4.200 2.700 6.400 5.169 5.092 5.245 . 0 0 "[ .]" 2
260 1 22 ALA H 1 22 ALA HA 3.300 2.200 4.800 2.888 2.845 2.903 . 0 0 "[ .]" 2
261 1 22 ALA HA 1 22 ALA MB 3.200 2.300 4.600 2.136 2.134 2.140 0.166 5 0 "[ .]" 2
262 1 22 ALA H 1 23 GLU H 3.100 2.300 4.600 2.805 2.698 2.956 . 0 0 "[ .]" 2
263 1 22 ALA HA 1 23 GLU H 3.700 2.600 5.600 3.567 3.531 3.602 . 0 0 "[ .]" 2
264 1 22 ALA MB 1 23 GLU H 3.400 2.100 5.100 2.591 2.490 2.683 . 0 0 "[ .]" 2
265 1 22 ALA H 1 24 LEU H 3.600 2.300 5.400 4.005 3.880 4.102 . 0 0 "[ .]" 2
266 1 22 ALA HA 1 24 LEU HB3 3.700 2.600 5.600 5.357 5.114 5.532 . 0 0 "[ .]" 2
267 1 22 ALA HA 1 24 LEU HB2 3.800 2.700 5.700 5.548 5.363 5.721 0.021 2 0 "[ .]" 2
268 1 22 ALA HA 1 25 ARG H 4.200 2.900 6.500 3.474 3.331 3.629 . 0 0 "[ .]" 2
269 1 22 ALA H 1 40 VAL MG1 4.000 2.700 6.400 3.433 3.366 3.460 . 0 0 "[ .]" 2
270 1 23 GLU HA 1 23 GLU HG3 2.800 2.100 4.000 2.218 2.187 2.255 . 0 0 "[ .]" 2
271 1 23 GLU H 1 24 LEU H 2.700 . 3.900 2.601 2.516 2.706 . 0 0 "[ .]" 2
272 1 23 GLU HA 1 25 ARG QG 3.700 2.400 5.400 5.671 5.602 5.726 0.326 5 0 "[ .]" 2
273 1 23 GLU HG2 1 27 VAL QG 3.700 2.600 6.300 3.580 3.426 3.787 . 0 0 "[ .]" 2
274 1 24 LEU H 1 24 LEU HA 3.600 2.400 5.400 2.789 2.771 2.811 . 0 0 "[ .]" 2
275 1 24 LEU H 1 24 LEU HB3 3.500 2.200 5.100 3.060 3.012 3.094 . 0 0 "[ .]" 2
276 1 24 LEU H 1 24 LEU HB2 3.500 2.200 5.100 2.092 2.050 2.132 0.150 2 0 "[ .]" 2
277 1 24 LEU H 1 24 LEU QD 4.100 2.800 6.200 3.307 3.274 3.363 . 0 0 "[ .]" 2
278 1 24 LEU HA 1 24 LEU QD 3.800 2.700 5.100 1.867 1.822 1.912 0.878 3 5 [*-+**] 2
279 1 24 LEU HB3 1 24 LEU QD 3.900 2.700 5.800 2.355 2.333 2.378 0.367 4 0 "[ .]" 2
280 1 24 LEU HB2 1 25 ARG H 3.400 2.100 5.100 3.395 3.209 3.581 . 0 0 "[ .]" 2
281 1 24 LEU HA 1 27 VAL QG 3.700 2.500 5.500 2.095 1.995 2.190 0.505 5 1 "[ +]" 2
282 1 24 LEU HA 1 28 MET H 3.900 2.700 6.000 3.972 3.886 4.110 . 0 0 "[ .]" 2
283 1 24 LEU QD 1 28 MET QG 4.600 3.100 7.300 2.385 2.287 2.592 0.813 3 5 [**+*-] 2
284 1 24 LEU QD 1 31 LEU HG 3.800 2.700 5.800 4.984 4.901 5.045 . 0 0 "[ .]" 2
285 1 24 LEU H 1 40 VAL MG1 3.500 2.200 6.300 4.246 4.175 4.333 . 0 0 "[ .]" 2
286 1 24 LEU HA 1 40 VAL MG1 3.500 2.200 6.300 5.603 5.447 5.700 . 0 0 "[ .]" 2
287 1 24 LEU HB3 1 40 VAL MG1 3.800 2.700 6.000 3.421 3.261 3.638 . 0 0 "[ .]" 2
288 1 24 LEU HB2 1 40 VAL MG1 3.700 2.600 5.900 4.051 3.949 4.252 . 0 0 "[ .]" 2
289 1 24 LEU QD 1 43 MET HA 3.900 2.600 5.800 3.826 3.520 3.973 . 0 0 "[ .]" 2
290 1 24 LEU QD 1 43 MET HB3 4.200 2.900 6.800 2.754 2.019 3.063 0.881 5 1 "[ +]" 2
291 1 24 LEU QD 1 43 MET HB2 4.100 2.800 6.600 3.772 3.280 3.953 . 0 0 "[ .]" 2
292 1 24 LEU QD 1 43 MET QG 4.400 3.000 7.100 2.065 1.655 2.443 1.345 2 5 [*+-**] 2
293 1 24 LEU QD 1 47 ALA H 3.700 2.600 5.900 4.727 4.410 4.854 . 0 0 "[ .]" 2
294 1 24 LEU QD 1 63 MET ME 3.900 2.700 6.400 1.888 1.666 2.179 1.034 2 5 [*+*-*] 2
295 1 25 ARG H 1 25 ARG HA 2.900 2.300 3.600 2.862 2.822 2.909 . 0 0 "[ .]" 2
296 1 25 ARG H 1 25 ARG QG 3.700 2.600 5.500 4.065 4.056 4.077 . 0 0 "[ .]" 2
297 1 25 ARG HA 1 27 VAL H 4.100 2.800 6.300 4.393 4.294 4.504 . 0 0 "[ .]" 2
298 1 25 ARG HA 1 27 VAL QG 4.600 3.100 7.200 4.176 4.062 4.276 . 0 0 "[ .]" 2
299 1 25 ARG QG 1 28 MET QG 4.100 2.800 6.300 4.053 3.970 4.130 . 0 0 "[ .]" 2
300 1 25 ARG HA 1 31 LEU H 4.500 3.200 7.000 6.955 6.917 7.011 0.011 4 0 "[ .]" 2
301 1 25 ARG HB2 1 34 LYS HA 3.700 2.400 5.600 5.732 5.557 5.946 0.346 5 0 "[ .]" 2
302 1 25 ARG HB2 1 35 LEU H 3.400 2.100 5.300 4.604 4.356 5.122 . 0 0 "[ .]" 2
303 1 25 ARG H 1 40 VAL MG1 3.900 2.700 6.100 3.220 3.052 3.305 . 0 0 "[ .]" 2
304 1 25 ARG HA 1 40 VAL MG1 4.600 3.100 7.300 4.653 4.303 4.887 . 0 0 "[ .]" 2
305 1 25 ARG HB2 1 40 VAL MG2 3.600 2.300 5.300 2.004 1.803 2.161 0.497 1 0 "[ .]" 2
306 1 25 ARG HD3 1 40 VAL MG2 4.700 3.200 7.600 3.601 2.598 4.407 0.602 1 1 "[+ .]" 2
307 1 25 ARG HD2 1 40 VAL MG1 4.300 2.900 6.600 4.619 4.081 5.273 . 0 0 "[ .]" 2
308 1 26 HIS HA 1 26 HIS HB3 3.600 2.300 5.100 3.031 3.030 3.032 . 0 0 "[ .]" 2
309 1 26 HIS HA 1 26 HIS HB2 3.500 2.200 4.900 2.445 2.413 2.470 . 0 0 "[ .]" 2
310 1 26 HIS HB3 1 27 VAL H 3.300 2.300 4.400 2.512 2.401 2.598 . 0 0 "[ .]" 2
311 1 26 HIS HA 1 31 LEU H 3.900 2.600 5.900 6.409 6.343 6.472 0.572 5 3 "[*- +]" 2
312 1 27 VAL H 1 27 VAL HA 2.900 2.400 3.500 2.866 2.851 2.877 . 0 0 "[ .]" 2
313 1 27 VAL H 1 27 VAL QG 3.200 2.700 4.600 1.824 1.773 1.868 0.927 1 5 [+*-**] 2
314 1 27 VAL HA 1 27 VAL HB 3.700 2.600 5.400 2.248 2.216 2.306 0.384 2 0 "[ .]" 2
315 1 27 VAL HA 1 27 VAL QG 3.600 2.800 5.300 2.460 2.386 2.510 0.414 3 0 "[ .]" 2
316 1 27 VAL H 1 28 MET H 2.700 2.200 3.300 2.625 2.582 2.670 . 0 0 "[ .]" 2
317 1 27 VAL H 1 28 MET QG 4.100 2.800 6.300 4.412 4.286 4.601 . 0 0 "[ .]" 2
318 1 27 VAL HA 1 28 MET H 4.100 2.800 6.300 3.503 3.477 3.566 . 0 0 "[ .]" 2
319 1 27 VAL HA 1 28 MET ME 4.900 3.300 7.800 5.989 5.776 6.109 . 0 0 "[ .]" 2
320 1 27 VAL HB 1 28 MET H 3.500 2.200 5.200 4.068 4.011 4.158 . 0 0 "[ .]" 2
321 1 27 VAL QG 1 28 MET H 4.100 2.800 6.300 2.345 2.237 2.451 0.563 2 2 "[ + -]" 2
322 1 27 VAL QG 1 28 MET ME 4.900 3.300 7.800 3.609 3.386 3.840 . 0 0 "[ .]" 2
323 1 27 VAL QG 1 28 MET QG 5.800 3.700 8.800 2.837 2.539 3.063 1.161 2 5 [*+-**] 2
324 1 27 VAL HA 1 30 ASN H 4.200 2.900 6.500 3.106 3.057 3.195 . 0 0 "[ .]" 2
325 1 27 VAL HA 1 30 ASN HB2 4.100 2.800 6.300 3.140 3.021 3.325 . 0 0 "[ .]" 2
326 1 27 VAL QG 1 30 ASN H 5.200 3.400 8.200 4.443 4.414 4.479 . 0 0 "[ .]" 2
327 1 27 VAL HA 1 60 PHE QE 4.700 3.100 7.700 5.408 5.141 5.586 . 0 0 "[ .]" 2
328 1 27 VAL QG 1 64 MET ME 3.900 3.000 5.900 3.009 2.750 3.206 0.250 2 0 "[ .]" 2
329 1 28 MET H 1 28 MET HA 3.400 2.200 5.000 2.820 2.786 2.840 . 0 0 "[ .]" 2
330 1 28 MET H 1 28 MET QG 4.000 2.700 5.800 2.377 2.347 2.420 0.353 1 0 "[ .]" 2
331 1 28 MET HB2 1 28 MET ME 4.500 3.100 6.900 3.646 3.565 3.802 . 0 0 "[ .]" 2
332 1 28 MET HB2 1 28 MET QG 3.300 2.400 4.800 2.155 2.134 2.167 0.266 2 0 "[ .]" 2
333 1 28 MET ME 1 28 MET QG 3.800 2.800 5.700 2.427 2.321 2.483 0.479 5 0 "[ .]" 2
334 1 28 MET ME 1 29 THR H 4.200 2.900 6.600 4.808 4.731 4.947 . 0 0 "[ .]" 2
335 1 28 MET ME 1 31 LEU HA 4.000 2.800 6.100 4.859 4.516 5.040 . 0 0 "[ .]" 2
336 1 28 MET ME 1 31 LEU MD2 3.500 2.200 5.200 3.582 3.021 3.831 . 0 0 "[ .]" 2
337 1 28 MET QG 1 31 LEU MD2 4.300 3.100 6.600 4.615 3.763 5.160 . 0 0 "[ .]" 2
338 1 28 MET ME 1 33 GLU H 4.000 2.700 6.000 3.676 3.529 3.946 . 0 0 "[ .]" 2
339 1 28 MET H 1 34 LYS HA 3.500 2.600 5.100 5.197 5.101 5.344 0.244 1 0 "[ .]" 2
340 1 28 MET ME 1 34 LYS H 4.300 2.700 6.700 5.276 5.016 5.579 . 0 0 "[ .]" 2
341 1 28 MET QG 1 35 LEU MD2 4.300 2.900 6.600 3.780 2.270 4.711 0.630 3 1 "[ + .]" 2
342 1 28 MET QG 1 40 VAL MG1 4.300 3.000 6.800 5.192 4.902 5.323 . 0 0 "[ .]" 2
343 1 28 MET H 1 43 MET ME 4.100 2.800 6.300 5.049 4.729 5.370 . 0 0 "[ .]" 2
344 1 28 MET QG 1 43 MET ME 3.600 2.500 5.200 2.213 2.092 2.367 0.408 5 0 "[ .]" 2
345 1 28 MET QG 1 43 MET QG 3.500 2.700 5.000 3.357 3.178 3.480 . 0 0 "[ .]" 2
346 1 29 THR H 1 29 THR HA 3.700 2.600 5.500 2.872 2.864 2.883 . 0 0 "[ .]" 2
347 1 29 THR H 1 29 THR HB 3.400 2.100 5.000 2.614 2.534 2.778 . 0 0 "[ .]" 2
348 1 29 THR H 1 29 THR MG 3.600 2.300 5.300 3.865 3.840 3.900 . 0 0 "[ .]" 2
349 1 29 THR HA 1 29 THR HB 3.300 2.200 4.800 3.019 3.017 3.021 . 0 0 "[ .]" 2
350 1 29 THR HA 1 29 THR MG 4.000 2.800 6.000 2.457 2.374 2.499 0.426 2 0 "[ .]" 2
351 1 29 THR HB 1 29 THR MG 3.300 2.400 4.800 2.143 2.138 2.147 0.262 5 0 "[ .]" 2
352 1 29 THR H 1 30 ASN H 2.800 2.100 4.100 2.755 2.682 2.835 . 0 0 "[ .]" 2
353 1 29 THR HA 1 30 ASN H 3.900 2.700 6.200 3.571 3.557 3.586 . 0 0 "[ .]" 2
354 1 29 THR HB 1 30 ASN H 3.400 2.200 5.100 2.546 2.452 2.663 . 0 0 "[ .]" 2
355 1 29 THR MG 1 30 ASN H 3.900 2.700 6.400 3.397 3.294 3.515 . 0 0 "[ .]" 2
356 1 29 THR MG 1 30 ASN HA 4.400 3.000 6.800 3.500 3.386 3.638 . 0 0 "[ .]" 2
357 1 29 THR H 1 31 LEU MD2 4.200 2.900 6.500 5.006 4.829 5.123 . 0 0 "[ .]" 2
358 1 29 THR HA 1 33 GLU H 3.800 2.700 6.400 4.645 4.561 4.745 . 0 0 "[ .]" 2
359 1 30 ASN H 1 30 ASN HA 3.500 2.300 5.100 2.837 2.830 2.843 . 0 0 "[ .]" 2
360 1 30 ASN H 1 30 ASN HB2 3.400 2.100 5.000 2.436 2.416 2.453 . 0 0 "[ .]" 2
361 1 30 ASN H 1 30 ASN HD22 4.200 2.900 6.400 5.676 5.660 5.710 . 0 0 "[ .]" 2
362 1 30 ASN HA 1 30 ASN HB3 3.700 2.500 5.500 3.038 3.034 3.043 . 0 0 "[ .]" 2
363 1 30 ASN HA 1 30 ASN HB2 3.600 2.400 5.300 2.483 2.467 2.501 . 0 0 "[ .]" 2
364 1 30 ASN HB3 1 30 ASN HD22 4.100 2.800 6.200 3.551 3.525 3.569 . 0 0 "[ .]" 2
365 1 30 ASN H 1 31 LEU MD2 4.300 3.000 6.600 4.098 4.072 4.138 . 0 0 "[ .]" 2
366 1 30 ASN HD22 1 31 LEU HB2 4.200 2.900 6.500 6.334 6.253 6.386 . 0 0 "[ .]" 2
367 1 31 LEU HA 1 31 LEU HB2 2.700 2.300 3.200 2.976 2.972 2.981 . 0 0 "[ .]" 2
368 1 31 LEU HA 1 31 LEU MD1 3.500 2.200 5.100 2.252 2.032 2.401 0.168 5 0 "[ .]" 2
369 1 31 LEU HA 1 31 LEU MD2 3.700 2.600 5.500 2.411 2.305 2.633 0.295 3 0 "[ .]" 2
370 1 31 LEU HA 1 31 LEU HG 3.900 2.700 5.800 3.722 3.697 3.738 . 0 0 "[ .]" 2
371 1 31 LEU HB2 1 31 LEU MD1 3.900 2.700 5.800 3.194 3.172 3.219 . 0 0 "[ .]" 2
372 1 31 LEU HB2 1 31 LEU MD2 3.900 2.700 5.800 2.574 2.482 2.638 0.218 5 0 "[ .]" 2
373 1 31 LEU HB3 1 31 LEU MD1 3.700 2.600 5.500 2.271 2.224 2.351 0.376 3 0 "[ .]" 2
374 1 31 LEU HB3 1 31 LEU MD2 3.700 2.600 5.500 3.272 3.265 3.278 . 0 0 "[ .]" 2
375 1 31 LEU HB2 1 32 GLY H 4.300 3.000 6.600 3.419 3.380 3.461 . 0 0 "[ .]" 2
376 1 31 LEU HB3 1 32 GLY H 4.100 2.800 6.500 3.871 3.852 3.883 . 0 0 "[ .]" 2
377 1 31 LEU MD2 1 32 GLY H 4.100 2.800 6.300 4.460 4.428 4.489 . 0 0 "[ .]" 2
378 1 31 LEU MD2 1 64 MET ME 4.000 2.700 6.100 3.569 2.672 3.936 0.028 5 0 "[ .]" 2
379 1 32 GLY H 1 32 GLY HA3 3.200 2.300 4.600 2.980 2.974 2.985 . 0 0 "[ .]" 2
380 1 32 GLY H 1 32 GLY HA2 3.200 2.300 4.600 2.437 2.423 2.450 . 0 0 "[ .]" 2
381 1 33 GLU H 1 33 GLU HA 3.500 2.200 5.100 2.959 2.955 2.965 . 0 0 "[ .]" 2
382 1 33 GLU H 1 33 GLU HB3 3.000 2.200 4.300 3.660 3.636 3.685 . 0 0 "[ .]" 2
383 1 33 GLU H 1 33 GLU HB2 3.300 2.400 4.800 2.451 2.419 2.500 . 0 0 "[ .]" 2
384 1 33 GLU HA 1 33 GLU HB3 3.200 2.300 4.600 2.487 2.465 2.505 . 0 0 "[ .]" 2
385 1 33 GLU HA 1 33 GLU HB2 3.700 2.500 5.500 3.039 3.034 3.048 . 0 0 "[ .]" 2
386 1 33 GLU HA 1 33 GLU HG2 3.800 2.700 5.600 3.004 2.632 3.154 0.068 2 0 "[ .]" 2
387 1 33 GLU HB2 1 33 GLU HG3 3.300 2.400 4.800 2.579 2.418 2.847 . 0 0 "[ .]" 2
388 1 33 GLU H 1 34 LYS H 3.200 2.400 4.700 4.289 4.223 4.435 . 0 0 "[ .]" 2
389 1 33 GLU HA 1 34 LYS H 3.100 2.300 4.600 2.047 2.000 2.080 0.300 3 0 "[ .]" 2
390 1 33 GLU HA 1 34 LYS HB2 3.500 2.200 5.200 4.701 4.586 4.868 . 0 0 "[ .]" 2
391 1 33 GLU HG2 1 34 LYS H 4.200 2.900 6.500 4.909 4.521 5.125 . 0 0 "[ .]" 2
392 1 33 GLU HB3 1 35 LEU QD 3.800 2.600 5.800 3.129 2.623 3.699 . 0 0 "[ .]" 2
393 1 33 GLU HG3 1 35 LEU MD2 4.400 3.000 6.800 5.221 4.793 5.588 . 0 0 "[ .]" 2
394 1 34 LYS H 1 34 LYS HB2 3.600 2.300 5.300 2.706 2.558 2.835 . 0 0 "[ .]" 2
395 1 34 LYS H 1 34 LYS HG3 3.700 2.500 5.300 2.600 2.394 2.778 0.106 5 0 "[ .]" 2
396 1 34 LYS HA 1 34 LYS HB3 2.700 2.200 3.300 2.425 2.368 2.487 . 0 0 "[ .]" 2
397 1 34 LYS HA 1 34 LYS HG3 4.000 2.700 6.000 3.089 2.931 3.300 . 0 0 "[ .]" 2
398 1 34 LYS HA 1 34 LYS HG2 3.700 2.400 5.400 2.684 2.613 2.752 . 0 0 "[ .]" 2
399 1 34 LYS HB3 1 34 LYS HG2 3.500 2.200 5.100 2.409 2.354 2.475 . 0 0 "[ .]" 2
400 1 34 LYS HB2 1 34 LYS HG3 2.900 2.100 4.100 2.511 2.442 2.575 . 0 0 "[ .]" 2
401 1 34 LYS HB2 1 34 LYS HG2 3.300 2.400 4.800 3.028 3.020 3.034 . 0 0 "[ .]" 2
402 1 34 LYS HD3 1 34 LYS HG3 2.400 . 3.800 2.690 2.403 3.036 . 0 0 "[ .]" 2
403 1 34 LYS HE3 1 34 LYS HG2 3.900 2.700 5.800 2.926 2.478 4.270 0.222 4 0 "[ .]" 2
404 1 34 LYS H 1 35 LEU H 3.200 2.300 4.700 4.481 4.287 4.599 . 0 0 "[ .]" 2
405 1 34 LYS HA 1 35 LEU H 2.900 2.100 4.200 2.187 2.128 2.234 . 0 0 "[ .]" 2
406 1 34 LYS HB2 1 36 THR MG 4.000 2.800 6.000 5.199 5.128 5.266 . 0 0 "[ .]" 2
407 1 34 LYS HA 1 43 MET ME 4.000 2.800 6.000 4.995 4.208 5.296 . 0 0 "[ .]" 2
408 1 35 LEU H 1 35 LEU MD2 3.800 2.700 5.600 3.324 2.611 4.104 0.089 3 0 "[ .]" 2
409 1 35 LEU HA 1 35 LEU HB2 4.100 2.800 6.200 3.002 2.984 3.021 . 0 0 "[ .]" 2
410 1 35 LEU HA 1 35 LEU QD 3.800 2.700 5.600 2.317 1.857 3.159 0.843 3 3 "[ -+*.]" 2
411 1 35 LEU HA 1 35 LEU MD2 4.100 2.800 6.200 2.618 2.091 3.533 0.709 4 1 "[ +.]" 2
412 1 35 LEU HA 1 35 LEU HG 4.100 2.800 6.200 3.228 2.577 3.751 0.223 1 0 "[ .]" 2
413 1 35 LEU HB3 1 35 LEU QD 3.200 2.200 4.700 2.207 2.151 2.360 0.049 4 0 "[ .]" 2
414 1 35 LEU HB2 1 35 LEU QD 3.200 2.200 4.700 2.314 2.151 2.529 0.049 1 0 "[ .]" 2
415 1 35 LEU HB2 1 35 LEU MD2 4.000 2.500 6.000 2.847 2.411 3.237 0.089 3 0 "[ .]" 2
416 1 35 LEU H 1 36 THR H 3.600 2.200 5.200 4.566 4.535 4.607 . 0 0 "[ .]" 2
417 1 35 LEU HA 1 36 THR H 2.600 2.200 3.200 2.361 2.285 2.444 . 0 0 "[ .]" 2
418 1 35 LEU HB2 1 36 THR H 4.500 3.100 7.000 3.723 3.387 3.905 . 0 0 "[ .]" 2
419 1 35 LEU QD 1 36 THR H 3.900 2.700 5.900 3.349 2.828 4.078 . 0 0 "[ .]" 2
420 1 35 LEU QD 1 39 GLU HA 4.200 3.000 6.600 4.359 4.121 4.673 . 0 0 "[ .]" 2
421 1 35 LEU QD 1 39 GLU HG2 3.900 2.700 6.000 3.837 3.479 4.236 . 0 0 "[ .]" 2
422 1 35 LEU QD 1 40 VAL H 4.000 2.900 6.000 4.902 4.683 5.288 . 0 0 "[ .]" 2
423 1 35 LEU QD 1 43 MET ME 3.700 2.500 5.700 2.120 1.721 2.692 0.779 1 2 "[+ -]" 2
424 1 36 THR H 1 36 THR HA 4.100 2.800 6.200 2.944 2.923 2.965 . 0 0 "[ .]" 2
425 1 36 THR H 1 36 THR MG 3.300 2.100 4.800 2.375 2.323 2.441 . 0 0 "[ .]" 2
426 1 36 THR HA 1 36 THR MG 3.600 2.400 5.300 2.339 2.306 2.385 0.094 2 0 "[ .]" 2
427 1 36 THR HB 1 36 THR MG 3.500 2.200 5.100 2.148 2.133 2.159 0.067 3 0 "[ .]" 2
428 1 36 THR H 1 37 ASP H 4.100 2.800 6.300 4.656 4.610 4.678 . 0 0 "[ .]" 2
429 1 36 THR HA 1 37 ASP H 3.100 2.300 4.600 2.532 2.476 2.581 . 0 0 "[ .]" 2
430 1 36 THR HB 1 37 ASP H 3.400 2.100 5.100 2.206 2.137 2.295 . 0 0 "[ .]" 2
431 1 36 THR MG 1 37 ASP H 3.700 2.600 5.600 3.631 3.601 3.667 . 0 0 "[ .]" 2
432 1 36 THR HB 1 38 GLU H 3.500 2.200 5.200 3.103 3.018 3.195 . 0 0 "[ .]" 2
433 1 36 THR MG 1 38 GLU H 3.900 2.700 5.900 4.453 4.339 4.544 . 0 0 "[ .]" 2
434 1 36 THR MG 1 38 GLU HB2 4.100 2.800 6.300 5.050 4.919 5.194 . 0 0 "[ .]" 2
435 1 36 THR H 1 39 GLU H 3.200 2.300 4.700 3.685 3.614 3.735 . 0 0 "[ .]" 2
436 1 36 THR H 1 39 GLU HB2 3.700 2.500 5.600 2.748 2.627 2.963 . 0 0 "[ .]" 2
437 1 36 THR H 1 39 GLU HB3 4.600 3.100 7.200 4.086 3.931 4.315 . 0 0 "[ .]" 2
438 1 36 THR HA 1 39 GLU H 4.600 3.100 7.200 4.812 4.783 4.848 . 0 0 "[ .]" 2
439 1 36 THR HA 1 39 GLU HG3 3.900 2.700 5.900 5.168 5.018 5.315 . 0 0 "[ .]" 2
440 1 36 THR HA 1 39 GLU HG2 3.800 2.700 5.700 5.793 5.685 6.000 0.300 5 0 "[ .]" 2
441 1 36 THR MG 1 39 GLU H 4.100 2.800 6.300 4.700 4.633 4.768 . 0 0 "[ .]" 2
442 1 36 THR MG 1 39 GLU HG2 4.100 2.800 6.300 4.706 4.494 4.994 . 0 0 "[ .]" 2
443 1 37 ASP H 1 37 ASP HA 3.700 2.600 5.500 2.747 2.710 2.775 . 0 0 "[ .]" 2
444 1 37 ASP H 1 37 ASP HB3 4.200 2.800 6.500 3.557 3.513 3.592 . 0 0 "[ .]" 2
445 1 37 ASP H 1 37 ASP HB2 4.000 2.700 6.200 2.495 2.398 2.537 0.302 5 0 "[ .]" 2
446 1 37 ASP HA 1 37 ASP HB3 3.600 2.400 5.300 2.469 2.433 2.511 . 0 0 "[ .]" 2
447 1 37 ASP HA 1 37 ASP HB2 3.500 2.200 5.200 3.023 3.019 3.026 . 0 0 "[ .]" 2
448 1 37 ASP H 1 38 GLU H 2.800 2.100 4.100 2.836 2.757 2.893 . 0 0 "[ .]" 2
449 1 37 ASP HA 1 38 GLU H 4.100 2.800 6.300 3.455 3.420 3.481 . 0 0 "[ .]" 2
450 1 37 ASP HB3 1 38 GLU H 4.300 2.900 6.600 3.939 3.733 4.092 . 0 0 "[ .]" 2
451 1 37 ASP HB2 1 38 GLU H 4.300 2.900 6.700 3.049 2.868 3.177 0.032 5 0 "[ .]" 2
452 1 37 ASP H 1 39 GLU H 3.900 2.700 5.900 4.520 4.479 4.552 . 0 0 "[ .]" 2
453 1 37 ASP HA 1 40 VAL H 3.700 2.600 5.600 3.152 3.073 3.232 . 0 0 "[ .]" 2
454 1 37 ASP HA 1 40 VAL HB 3.700 2.600 5.600 2.155 2.044 2.275 0.556 4 2 "[- +.]" 2
455 1 37 ASP HA 1 40 VAL MG1 3.700 2.600 5.600 3.353 3.244 3.480 . 0 0 "[ .]" 2
456 1 38 GLU H 1 38 GLU HB2 3.100 2.300 4.500 2.157 2.064 2.243 0.236 5 0 "[ .]" 2
457 1 38 GLU H 1 39 GLU H 2.700 2.100 3.900 2.565 2.425 2.682 . 0 0 "[ .]" 2
458 1 38 GLU H 1 39 GLU HA 3.400 2.700 4.700 5.203 5.084 5.308 0.608 1 3 "[+- *]" 2
459 1 38 GLU H 1 39 GLU HG3 3.300 2.400 4.900 5.224 5.068 5.364 0.464 1 0 "[ .]" 2
460 1 38 GLU HB3 1 39 GLU H 3.000 2.200 4.400 2.169 2.094 2.238 0.106 5 0 "[ .]" 2
461 1 38 GLU HB3 1 39 GLU HA 3.200 2.300 4.800 3.865 3.733 4.040 . 0 0 "[ .]" 2
462 1 38 GLU HB3 1 39 GLU HB3 3.500 2.700 5.000 5.192 5.069 5.274 0.274 1 0 "[ .]" 2
463 1 38 GLU H 1 40 VAL H 4.300 3.000 6.600 3.766 3.657 3.891 . 0 0 "[ .]" 2
464 1 38 GLU HB3 1 40 VAL H 3.400 2.100 5.100 4.583 4.538 4.627 . 0 0 "[ .]" 2
465 1 39 GLU H 1 39 GLU HA 3.100 2.300 4.500 2.822 2.806 2.848 . 0 0 "[ .]" 2
466 1 39 GLU H 1 39 GLU HB3 3.300 2.400 4.800 3.525 3.488 3.552 . 0 0 "[ .]" 2
467 1 39 GLU H 1 40 VAL H 2.500 . 3.600 2.582 2.515 2.656 . 0 0 "[ .]" 2
468 1 39 GLU HG3 1 40 VAL H 3.400 2.200 5.100 4.639 4.553 4.738 . 0 0 "[ .]" 2
469 1 39 GLU HA 1 41 ASP QB 3.800 2.600 5.600 4.620 4.574 4.659 . 0 0 "[ .]" 2
470 1 39 GLU HG3 1 43 MET ME 3.300 2.500 4.900 4.263 4.060 4.430 . 0 0 "[ .]" 2
471 1 39 GLU HG2 1 43 MET ME 3.600 2.300 5.500 4.873 4.694 4.950 . 0 0 "[ .]" 2
472 1 40 VAL H 1 40 VAL HA 3.600 2.300 5.300 2.872 2.858 2.885 . 0 0 "[ .]" 2
473 1 40 VAL H 1 40 VAL HB 3.300 2.400 4.800 2.406 2.369 2.452 0.031 2 0 "[ .]" 2
474 1 40 VAL H 1 40 VAL MG1 3.200 2.300 4.600 3.758 3.742 3.780 . 0 0 "[ .]" 2
475 1 40 VAL HA 1 40 VAL HB 3.900 2.700 5.800 3.014 3.010 3.017 . 0 0 "[ .]" 2
476 1 40 VAL HA 1 40 VAL MG1 3.800 2.700 5.600 2.514 2.478 2.537 0.222 3 0 "[ .]" 2
477 1 40 VAL HA 1 40 VAL MG2 3.700 2.600 5.500 2.295 2.238 2.327 0.362 5 0 "[ .]" 2
478 1 40 VAL HA 1 41 ASP H 3.700 2.600 5.600 3.562 3.540 3.572 . 0 0 "[ .]" 2
479 1 40 VAL HB 1 41 ASP H 3.200 2.300 4.700 2.815 2.766 2.847 . 0 0 "[ .]" 2
480 1 40 VAL MG2 1 41 ASP H 3.400 2.200 5.100 3.983 3.941 4.047 . 0 0 "[ .]" 2
481 1 40 VAL MG2 1 41 ASP HA 4.300 3.000 6.600 5.535 5.507 5.552 . 0 0 "[ .]" 2
482 1 40 VAL HA 1 43 MET H 4.100 2.800 6.300 2.917 2.839 3.045 . 0 0 "[ .]" 2
483 1 40 VAL HA 1 43 MET ME 4.200 2.900 6.500 2.525 2.038 3.618 0.862 4 3 "[* +-]" 2
484 1 40 VAL HB 1 43 MET QG 3.100 2.300 4.600 4.922 4.559 5.160 0.560 4 1 "[ +.]" 2
485 1 40 VAL MG1 1 43 MET H 3.900 2.700 5.900 4.376 4.325 4.419 . 0 0 "[ .]" 2
486 1 40 VAL HA 1 44 ILE H 4.100 2.800 6.400 4.348 4.211 4.464 . 0 0 "[ .]" 2
487 1 41 ASP H 1 41 ASP HA 3.200 2.300 4.600 2.865 2.853 2.877 . 0 0 "[ .]" 2
488 1 41 ASP H 1 41 ASP QB 2.800 2.300 4.000 2.378 2.258 2.421 0.042 3 0 "[ .]" 2
489 1 41 ASP HA 1 41 ASP QB 3.700 2.500 5.100 2.393 2.380 2.424 0.120 4 0 "[ .]" 2
490 1 41 ASP QB 1 42 GLU HA 4.100 2.800 6.300 4.018 4.003 4.036 . 0 0 "[ .]" 2
491 1 41 ASP H 1 43 MET H 2.300 . 3.300 3.689 3.641 3.725 0.425 2 0 "[ .]" 2
492 1 41 ASP HA 1 43 MET HB3 3.700 2.400 5.500 5.986 5.811 6.251 0.751 5 2 "[ - +]" 2
493 1 41 ASP QB 1 43 MET HB2 4.000 2.600 6.000 5.772 5.672 5.939 . 0 0 "[ .]" 2
494 1 41 ASP HA 1 44 ILE MD 4.600 3.100 7.200 3.179 2.964 3.289 0.136 5 0 "[ .]" 2
495 1 41 ASP HA 1 45 ARG H 3.500 2.500 5.800 4.541 4.434 4.627 . 0 0 "[ .]" 2
496 1 42 GLU H 1 42 GLU HA 2.800 2.400 3.300 2.858 2.852 2.866 . 0 0 "[ .]" 2
497 1 42 GLU H 1 42 GLU HB2 2.700 2.400 3.100 2.564 2.494 2.622 . 0 0 "[ .]" 2
498 1 42 GLU H 1 42 GLU HG3 3.400 2.400 4.800 4.520 4.462 4.583 . 0 0 "[ .]" 2
499 1 42 GLU HA 1 44 ILE QG 3.900 2.700 5.900 5.714 5.694 5.729 . 0 0 "[ .]" 2
500 1 42 GLU HA 1 45 ARG HB2 3.100 2.300 4.600 3.328 3.277 3.365 . 0 0 "[ .]" 2
501 1 42 GLU HG2 1 47 ALA H 3.900 2.700 5.800 5.744 5.566 5.867 0.067 3 0 "[ .]" 2
502 1 43 MET H 1 43 MET HA 2.800 2.300 3.400 2.850 2.838 2.872 . 0 0 "[ .]" 2
503 1 43 MET H 1 43 MET HB2 3.300 2.400 4.800 2.426 2.313 2.554 0.087 4 0 "[ .]" 2
504 1 43 MET H 1 43 MET ME 3.500 2.400 5.100 3.860 3.660 4.097 . 0 0 "[ .]" 2
505 1 43 MET HA 1 43 MET HB3 3.400 2.200 4.900 2.534 2.460 2.602 . 0 0 "[ .]" 2
506 1 43 MET HA 1 43 MET HB2 3.400 2.200 5.000 3.011 2.997 3.028 . 0 0 "[ .]" 2
507 1 43 MET HA 1 43 MET ME 3.600 2.400 5.200 4.186 3.848 4.533 . 0 0 "[ .]" 2
508 1 43 MET H 1 45 ARG H 3.700 2.600 5.600 3.985 3.963 4.024 . 0 0 "[ .]" 2
509 1 43 MET HA 1 45 ARG HD3 3.500 2.200 5.200 5.513 5.377 5.694 0.494 3 0 "[ .]" 2
510 1 43 MET HA 1 47 ALA HA 3.900 2.700 6.000 5.680 5.542 5.871 . 0 0 "[ .]" 2
511 1 43 MET HB2 1 55 VAL QG 4.400 3.100 6.800 4.487 4.414 4.551 . 0 0 "[ .]" 2
512 1 44 ILE H 1 44 ILE HA 2.900 2.300 3.600 2.869 2.859 2.876 . 0 0 "[ .]" 2
513 1 44 ILE H 1 44 ILE HB 3.300 2.400 4.800 2.527 2.516 2.544 . 0 0 "[ .]" 2
514 1 44 ILE H 1 44 ILE MD 3.800 2.700 5.600 3.859 3.834 3.890 . 0 0 "[ .]" 2
515 1 44 ILE H 1 44 ILE QG 3.700 2.600 5.500 2.318 2.300 2.333 0.300 4 0 "[ .]" 2
516 1 44 ILE HA 1 44 ILE HB 3.600 2.400 5.200 3.033 3.032 3.035 . 0 0 "[ .]" 2
517 1 44 ILE HA 1 44 ILE MD 4.000 2.700 6.000 3.706 3.679 3.735 . 0 0 "[ .]" 2
518 1 44 ILE HA 1 44 ILE QG 4.100 2.700 6.200 2.225 2.211 2.245 0.489 3 0 "[ .]" 2
519 1 44 ILE HB 1 44 ILE MD 3.800 2.500 5.500 2.539 2.505 2.563 . 0 0 "[ .]" 2
520 1 44 ILE HB 1 44 ILE QG 3.600 2.500 5.300 2.312 2.301 2.326 0.199 1 0 "[ .]" 2
521 1 44 ILE HA 1 45 ARG H 4.300 3.000 6.600 3.559 3.543 3.577 . 0 0 "[ .]" 2
522 1 44 ILE HB 1 45 ARG H 3.600 2.300 5.400 2.602 2.526 2.657 . 0 0 "[ .]" 2
523 1 44 ILE MD 1 45 ARG H 4.500 3.100 7.000 4.724 4.628 4.774 . 0 0 "[ .]" 2
524 1 44 ILE HA 1 47 ALA H 4.400 3.000 6.800 3.726 3.528 3.890 . 0 0 "[ .]" 2
525 1 44 ILE HA 1 47 ALA MB 4.900 3.200 7.600 3.047 2.951 3.211 0.249 3 0 "[ .]" 2
526 1 44 ILE HB 1 48 ASP H 3.600 2.300 5.500 5.591 5.573 5.606 0.106 4 0 "[ .]" 2
527 1 44 ILE MD 1 48 ASP HB2 5.100 3.400 8.100 5.021 4.829 5.175 . 0 0 "[ .]" 2
528 1 44 ILE MD 1 54 GLN HA 4.000 2.800 6.000 4.055 3.815 4.323 . 0 0 "[ .]" 2
529 1 44 ILE MD 1 54 GLN HG2 4.300 3.000 6.800 5.597 5.433 5.778 . 0 0 "[ .]" 2
530 1 44 ILE H 1 55 VAL QG 4.300 3.200 6.800 4.232 4.187 4.289 . 0 0 "[ .]" 2
531 1 44 ILE HA 1 55 VAL QG 4.000 2.800 6.000 2.301 2.268 2.345 0.532 1 3 "[+- *]" 2
532 1 44 ILE MD 1 55 VAL H 4.700 3.200 7.600 5.369 5.056 5.647 . 0 0 "[ .]" 2
533 1 44 ILE MD 1 55 VAL QG 3.600 2.300 5.600 3.587 3.292 3.817 . 0 0 "[ .]" 2
534 1 44 ILE QG 1 55 VAL QG 4.300 2.800 6.600 2.531 2.365 2.697 0.435 3 0 "[ .]" 2
535 1 45 ARG H 1 45 ARG HB3 3.300 2.400 4.800 2.417 2.341 2.468 0.059 4 0 "[ .]" 2
536 1 45 ARG H 1 45 ARG HD3 4.200 2.900 6.400 4.358 4.254 4.462 . 0 0 "[ .]" 2
537 1 45 ARG H 1 45 ARG HG2 3.900 2.700 5.800 4.535 4.480 4.589 . 0 0 "[ .]" 2
538 1 45 ARG H 1 46 GLU H 2.600 . 3.800 2.930 2.737 3.027 . 0 0 "[ .]" 2
539 1 45 ARG HD3 1 46 GLU HG3 4.100 2.800 6.300 5.128 4.477 5.644 . 0 0 "[ .]" 2
540 1 45 ARG HG2 1 46 GLU H 3.700 2.600 5.600 4.103 3.838 4.628 . 0 0 "[ .]" 2
541 1 45 ARG H 1 47 ALA H 4.000 2.800 6.100 4.081 4.026 4.178 . 0 0 "[ .]" 2
542 1 45 ARG H 1 48 ASP HB3 4.100 2.800 6.300 4.893 4.828 4.999 . 0 0 "[ .]" 2
543 1 45 ARG HA 1 48 ASP HB2 3.900 2.700 5.900 4.322 4.169 4.400 . 0 0 "[ .]" 2
544 1 45 ARG HA 1 49 ILE MD 4.000 2.800 6.200 5.723 5.636 5.852 . 0 0 "[ .]" 2
545 1 46 GLU H 1 47 ALA HA 3.700 2.600 5.600 5.260 5.093 5.374 . 0 0 "[ .]" 2
546 1 46 GLU HA 1 47 ALA H 3.500 2.200 5.200 3.450 3.435 3.464 . 0 0 "[ .]" 2
547 1 46 GLU HB3 1 47 ALA H 3.500 2.200 5.200 2.985 2.859 3.051 . 0 0 "[ .]" 2
548 1 46 GLU HG2 1 47 ALA H 4.100 2.800 6.300 4.891 4.296 5.264 . 0 0 "[ .]" 2
549 1 47 ALA H 1 47 ALA HA 3.000 2.300 3.800 2.944 2.941 2.949 . 0 0 "[ .]" 2
550 1 47 ALA H 1 47 ALA MB 3.100 2.200 4.000 2.340 2.305 2.360 . 0 0 "[ .]" 2
551 1 47 ALA HA 1 47 ALA MB 3.200 2.300 4.200 2.124 2.120 2.129 0.180 4 0 "[ .]" 2
552 1 47 ALA H 1 48 ASP H 2.500 2.200 2.900 2.226 2.165 2.269 0.035 3 0 "[ .]" 2
553 1 47 ALA H 1 48 ASP HA 3.700 2.600 5.600 4.945 4.914 4.975 . 0 0 "[ .]" 2
554 1 47 ALA MB 1 48 ASP H 3.500 2.200 5.200 2.837 2.747 2.915 . 0 0 "[ .]" 2
555 1 47 ALA MB 1 55 VAL QG 3.900 2.600 5.900 1.690 1.658 1.730 0.942 4 5 [-**+*] 2
556 1 47 ALA H 1 63 MET ME 3.600 2.300 5.700 4.461 4.192 4.638 . 0 0 "[ .]" 2
557 1 47 ALA MB 1 63 MET HB2 4.200 2.800 6.400 3.491 3.336 3.669 . 0 0 "[ .]" 2
558 1 47 ALA MB 1 63 MET ME 4.000 2.700 6.000 2.099 1.741 2.316 0.959 1 3 "[+-* .]" 2
559 1 47 ALA MB 1 63 MET HG3 4.300 2.900 6.600 3.969 3.274 4.429 . 0 0 "[ .]" 2
560 1 48 ASP H 1 48 ASP HA 3.200 2.300 4.600 2.903 2.898 2.912 . 0 0 "[ .]" 2
561 1 48 ASP H 1 48 ASP HB3 3.300 2.400 4.800 2.588 2.570 2.618 . 0 0 "[ .]" 2
562 1 48 ASP H 1 48 ASP HB2 3.600 2.300 5.300 2.689 2.672 2.725 . 0 0 "[ .]" 2
563 1 48 ASP H 1 49 ILE H 3.700 2.400 5.400 4.060 4.049 4.073 . 0 0 "[ .]" 2
564 1 48 ASP H 1 49 ILE MD 4.000 2.600 6.000 3.441 3.359 3.531 . 0 0 "[ .]" 2
565 1 48 ASP HA 1 49 ILE H 2.600 2.300 3.000 2.017 2.003 2.036 0.297 2 0 "[ .]" 2
566 1 48 ASP HA 1 49 ILE HB 4.300 3.000 6.600 4.565 4.546 4.591 . 0 0 "[ .]" 2
567 1 48 ASP HA 1 53 GLY H 4.300 2.800 6.600 5.412 5.358 5.484 . 0 0 "[ .]" 2
568 1 48 ASP HA 1 59 GLU H 4.200 2.900 6.600 6.322 6.220 6.360 . 0 0 "[ .]" 2
569 1 48 ASP HB3 1 59 GLU QB 4.100 2.800 6.500 6.130 6.095 6.170 . 0 0 "[ .]" 2
570 1 49 ILE H 1 49 ILE HA 3.500 2.200 5.100 3.006 3.002 3.011 . 0 0 "[ .]" 2
571 1 49 ILE H 1 49 ILE HB 3.300 2.400 4.800 2.576 2.564 2.589 . 0 0 "[ .]" 2
572 1 49 ILE H 1 49 ILE MD 3.600 2.300 5.300 2.488 2.394 2.562 . 0 0 "[ .]" 2
573 1 49 ILE H 1 49 ILE HG12 3.400 2.200 5.000 4.440 4.391 4.464 . 0 0 "[ .]" 2
574 1 49 ILE H 1 49 ILE HG13 3.700 2.600 5.500 3.873 3.792 3.972 . 0 0 "[ .]" 2
575 1 49 ILE HA 1 49 ILE HB 4.100 2.800 6.200 3.019 3.015 3.023 . 0 0 "[ .]" 2
576 1 49 ILE HA 1 49 ILE MD 4.100 2.800 6.200 3.082 2.997 3.129 . 0 0 "[ .]" 2
577 1 49 ILE HA 1 49 ILE HG13 3.800 2.700 5.600 2.252 2.218 2.269 0.482 1 0 "[ .]" 2
578 1 49 ILE HB 1 49 ILE MD 3.800 2.700 5.600 2.379 2.334 2.416 0.366 1 0 "[ .]" 2
579 1 49 ILE HB 1 49 ILE HG12 3.600 2.300 5.400 2.604 2.575 2.631 . 0 0 "[ .]" 2
580 1 49 ILE HB 1 49 ILE HG13 3.900 2.700 5.800 3.011 3.005 3.017 . 0 0 "[ .]" 2
581 1 49 ILE MD 1 49 ILE HG12 3.500 2.200 5.100 2.136 2.133 2.138 0.067 3 0 "[ .]" 2
582 1 49 ILE MD 1 49 ILE HG13 3.600 2.300 5.300 2.133 2.129 2.136 0.171 3 0 "[ .]" 2
583 1 49 ILE MD 1 50 ASP H 3.500 2.200 5.200 4.134 4.080 4.176 . 0 0 "[ .]" 2
584 1 49 ILE MD 1 50 ASP HA 4.500 3.100 7.000 6.034 6.001 6.057 . 0 0 "[ .]" 2
585 1 49 ILE HB 1 51 GLY H 4.600 3.100 7.200 5.236 5.184 5.292 . 0 0 "[ .]" 2
586 1 49 ILE H 1 59 GLU H 3.900 2.700 6.100 5.871 5.763 5.944 . 0 0 "[ .]" 2
587 1 49 ILE MD 1 59 GLU H 4.700 3.200 7.600 5.522 5.387 5.687 . 0 0 "[ .]" 2
588 1 49 ILE MD 1 59 GLU QB 4.200 2.900 6.700 3.105 2.971 3.319 . 0 0 "[ .]" 2
589 1 49 ILE HG12 1 59 GLU HA 3.500 2.200 5.400 5.280 5.191 5.386 . 0 0 "[ .]" 2
590 1 49 ILE H 1 62 GLN HG2 3.800 2.700 5.900 4.843 4.764 4.950 . 0 0 "[ .]" 2
591 1 49 ILE MD 1 62 GLN HA 4.100 2.800 6.500 4.641 4.557 4.694 . 0 0 "[ .]" 2
592 1 49 ILE MD 1 62 GLN HB3 4.000 2.600 6.000 2.503 2.403 2.699 0.197 2 0 "[ .]" 2
593 1 49 ILE MD 1 62 GLN HE21 4.300 2.900 6.600 4.625 4.333 4.874 . 0 0 "[ .]" 2
594 1 49 ILE MD 1 62 GLN HG2 4.000 2.700 6.000 3.024 2.893 3.189 . 0 0 "[ .]" 2
595 1 49 ILE HG12 1 62 GLN HG3 4.000 2.700 6.000 2.913 2.660 3.157 0.040 3 0 "[ .]" 2
596 1 49 ILE HG13 1 62 GLN HB3 3.800 2.700 5.600 5.017 4.946 5.146 . 0 0 "[ .]" 2
597 1 50 ASP H 1 50 ASP HA 3.100 2.300 4.500 2.873 2.868 2.881 . 0 0 "[ .]" 2
598 1 50 ASP H 1 50 ASP HB2 3.900 2.700 5.800 3.567 3.557 3.580 . 0 0 "[ .]" 2
599 1 50 ASP HA 1 50 ASP HB3 3.100 2.300 4.500 2.441 2.436 2.447 . 0 0 "[ .]" 2
600 1 50 ASP HA 1 50 ASP HB2 3.200 2.300 4.600 2.415 2.410 2.418 . 0 0 "[ .]" 2
601 1 50 ASP H 1 51 GLY H 2.300 . 3.800 2.357 2.313 2.388 . 0 0 "[ .]" 2
602 1 50 ASP HA 1 51 GLY H 3.300 2.400 4.900 3.495 3.482 3.516 . 0 0 "[ .]" 2
603 1 50 ASP H 1 62 GLN HB3 3.500 2.600 5.300 5.713 5.668 5.782 0.482 2 0 "[ .]" 2
604 1 51 GLY H 1 51 GLY HA3 3.100 2.200 4.500 2.986 2.981 2.991 . 0 0 "[ .]" 2
605 1 51 GLY H 1 51 GLY HA2 3.400 2.200 5.000 2.427 2.415 2.439 . 0 0 "[ .]" 2
606 1 51 GLY HA3 1 52 ASP H 3.700 2.600 5.600 3.605 3.597 3.611 . 0 0 "[ .]" 2
607 1 51 GLY HA2 1 52 ASP H 4.000 2.800 6.400 2.625 2.607 2.641 0.193 1 0 "[ .]" 2
608 1 51 GLY H 1 53 GLY H 3.500 2.200 5.200 4.189 4.167 4.212 . 0 0 "[ .]" 2
609 1 51 GLY HA3 1 53 GLY H 4.600 3.100 7.200 4.793 4.785 4.796 . 0 0 "[ .]" 2
610 1 51 GLY H 1 54 GLN H 3.500 2.700 5.000 5.206 5.161 5.242 0.242 5 0 "[ .]" 2
611 1 52 ASP H 1 52 ASP HA 3.100 2.300 4.500 2.964 2.956 2.969 . 0 0 "[ .]" 2
612 1 52 ASP H 1 52 ASP HB2 3.800 2.700 5.600 3.745 3.729 3.769 . 0 0 "[ .]" 2
613 1 52 ASP HA 1 52 ASP HB3 3.700 2.600 5.500 2.526 2.519 2.535 0.081 1 0 "[ .]" 2
614 1 52 ASP HA 1 52 ASP HB2 3.400 2.100 5.000 2.404 2.388 2.424 . 0 0 "[ .]" 2
615 1 52 ASP H 1 53 GLY H 2.400 . 3.500 2.083 2.049 2.117 . 0 0 "[ .]" 2
616 1 52 ASP H 1 53 GLY HA3 4.700 3.200 7.400 4.893 4.880 4.917 . 0 0 "[ .]" 2
617 1 52 ASP H 1 53 GLY HA2 4.500 3.100 7.000 4.508 4.484 4.538 . 0 0 "[ .]" 2
618 1 52 ASP H 1 54 GLN H 2.700 . 3.900 3.358 3.324 3.371 . 0 0 "[ .]" 2
619 1 52 ASP H 1 54 GLN HG3 4.200 2.900 6.500 6.211 6.088 6.295 . 0 0 "[ .]" 2
620 1 53 GLY H 1 53 GLY HA2 3.500 2.200 5.100 2.437 2.430 2.452 . 0 0 "[ .]" 2
621 1 53 GLY H 1 54 GLN H 2.300 . 3.800 2.233 2.209 2.252 . 0 0 "[ .]" 2
622 1 53 GLY H 1 54 GLN HB3 4.900 3.300 7.800 5.950 5.929 5.959 . 0 0 "[ .]" 2
623 1 53 GLY HA3 1 54 GLN H 4.100 2.800 6.300 3.503 3.482 3.514 . 0 0 "[ .]" 2
624 1 53 GLY HA2 1 54 GLN H 4.100 2.800 6.300 3.100 3.085 3.124 . 0 0 "[ .]" 2
625 1 54 GLN H 1 54 GLN HA 3.700 2.600 5.500 2.910 2.897 2.917 . 0 0 "[ .]" 2
626 1 54 GLN H 1 54 GLN HG2 3.200 2.300 4.600 4.514 4.455 4.574 . 0 0 "[ .]" 2
627 1 54 GLN HA 1 54 GLN HB3 3.800 2.700 5.600 2.528 2.508 2.546 0.192 1 0 "[ .]" 2
628 1 54 GLN HA 1 54 GLN HB2 4.100 2.800 6.200 3.048 3.042 3.053 . 0 0 "[ .]" 2
629 1 54 GLN HA 1 54 GLN HG2 3.800 2.700 5.600 2.665 2.625 2.702 0.075 4 0 "[ .]" 2
630 1 54 GLN HB2 1 54 GLN HE22 4.600 3.100 7.100 3.362 3.298 3.472 . 0 0 "[ .]" 2
631 1 54 GLN HB2 1 54 GLN HG3 2.900 2.100 4.100 2.594 2.548 2.648 . 0 0 "[ .]" 2
632 1 54 GLN HE21 1 54 GLN HG2 3.900 2.700 5.800 3.579 3.561 3.592 . 0 0 "[ .]" 2
633 1 54 GLN HE22 1 54 GLN HG2 3.600 2.300 5.300 4.137 4.113 4.165 . 0 0 "[ .]" 2
634 1 54 GLN H 1 55 VAL H 3.700 2.600 5.600 4.298 4.282 4.316 . 0 0 "[ .]" 2
635 1 54 GLN HA 1 55 VAL H 3.500 2.200 5.200 2.415 2.405 2.433 . 0 0 "[ .]" 2
636 1 54 GLN HA 1 55 VAL QG 4.800 3.200 7.600 3.150 3.132 3.160 0.068 3 0 "[ .]" 2
637 1 54 GLN HB2 1 55 VAL H 4.200 2.900 6.500 3.558 3.529 3.615 . 0 0 "[ .]" 2
638 1 54 GLN HG2 1 55 VAL H 3.500 2.200 5.300 3.836 3.786 3.920 . 0 0 "[ .]" 2
639 1 55 VAL H 1 55 VAL HA 3.000 2.500 3.600 3.002 2.999 3.006 . 0 0 "[ .]" 2
640 1 55 VAL H 1 55 VAL HB 2.900 2.400 3.600 2.605 2.572 2.649 . 0 0 "[ .]" 2
641 1 55 VAL H 1 55 VAL QG 3.700 2.600 5.500 2.609 2.572 2.638 0.028 3 0 "[ .]" 2
642 1 55 VAL HA 1 55 VAL QG 3.900 2.500 5.800 2.177 2.172 2.183 0.328 5 0 "[ .]" 2
643 1 55 VAL H 1 56 ASN H 3.900 2.700 5.800 4.247 4.213 4.273 . 0 0 "[ .]" 2
644 1 55 VAL HA 1 56 ASN H 3.000 2.400 3.700 2.120 2.098 2.151 0.302 4 0 "[ .]" 2
645 1 55 VAL QG 1 56 ASN H 4.000 2.700 5.500 2.912 2.850 2.980 . 0 0 "[ .]" 2
646 1 55 VAL QG 1 60 PHE HD1 4.000 2.700 6.200 5.132 3.248 6.414 0.214 1 0 "[ .]" 2
647 1 55 VAL QG 1 60 PHE HA 4.300 2.800 6.600 3.947 3.875 4.104 . 0 0 "[ .]" 2
648 1 56 ASN HA 1 56 ASN HB2 4.200 2.900 6.400 2.535 2.477 2.565 0.423 1 0 "[ .]" 2
649 1 56 ASN HA 1 57 TYR H 3.600 2.300 5.400 2.484 2.444 2.580 . 0 0 "[ .]" 2
650 1 56 ASN H 1 58 GLU H 4.900 3.300 7.800 5.127 5.095 5.159 . 0 0 "[ .]" 2
651 1 56 ASN H 1 59 GLU H 3.300 2.400 4.900 3.831 3.758 3.866 . 0 0 "[ .]" 2
652 1 56 ASN H 1 59 GLU HA 4.900 3.300 7.800 5.204 5.166 5.241 . 0 0 "[ .]" 2
653 1 56 ASN H 1 60 PHE H 4.500 3.100 7.100 4.288 4.168 4.366 . 0 0 "[ .]" 2
654 1 57 TYR H 1 57 TYR HA 3.800 2.700 5.600 2.930 2.913 2.942 . 0 0 "[ .]" 2
655 1 57 TYR H 1 57 TYR HB2 3.800 2.700 5.600 2.928 2.881 2.974 . 0 0 "[ .]" 2
656 1 57 TYR H 1 57 TYR HD2 3.400 2.100 5.000 4.658 4.651 4.673 . 0 0 "[ .]" 2
657 1 57 TYR HA 1 57 TYR HD1 3.800 2.700 5.600 2.474 2.452 2.513 0.248 5 0 "[ .]" 2
658 1 57 TYR HA 1 57 TYR HE1 4.200 2.900 6.400 4.801 4.788 4.823 . 0 0 "[ .]" 2
659 1 57 TYR HB3 1 57 TYR HD2 3.700 2.600 5.500 2.315 2.310 2.321 0.290 5 0 "[ .]" 2
660 1 57 TYR HB2 1 57 TYR HD1 4.200 2.900 6.400 2.727 2.711 2.758 0.189 1 0 "[ .]" 2
661 1 57 TYR HB2 1 57 TYR HE1 4.700 3.200 7.300 4.874 4.863 4.894 . 0 0 "[ .]" 2
662 1 57 TYR HA 1 58 GLU H 4.400 3.000 6.800 3.470 3.451 3.487 . 0 0 "[ .]" 2
663 1 57 TYR HD2 1 58 GLU H 3.600 2.300 5.400 3.724 3.658 3.796 . 0 0 "[ .]" 2
664 1 57 TYR HD2 1 58 GLU HG2 4.100 2.800 6.300 4.346 4.271 4.401 . 0 0 "[ .]" 2
665 1 57 TYR HE2 1 58 GLU H 3.600 2.300 5.400 5.820 5.773 5.873 0.473 5 0 "[ .]" 2
666 1 57 TYR HE2 1 58 GLU HG2 4.500 3.000 7.000 6.384 6.291 6.460 . 0 0 "[ .]" 2
667 1 57 TYR HB3 1 59 GLU H 3.300 2.400 4.900 5.183 5.145 5.234 0.334 1 0 "[ .]" 2
668 1 57 TYR HA 1 60 PHE H 4.200 2.900 6.500 3.011 2.983 3.033 . 0 0 "[ .]" 2
669 1 57 TYR HA 1 60 PHE QE 3.800 2.700 5.700 5.735 5.708 5.769 0.069 4 0 "[ .]" 2
670 1 57 TYR HE1 1 61 VAL HA 4.900 3.300 7.900 5.780 5.680 5.932 . 0 0 "[ .]" 2
671 1 58 GLU H 1 58 GLU HA 3.600 2.400 5.300 2.833 2.823 2.842 . 0 0 "[ .]" 2
672 1 58 GLU HA 1 58 GLU HB3 3.700 2.500 5.500 2.357 2.347 2.364 0.153 2 0 "[ .]" 2
673 1 58 GLU HA 1 58 GLU HB2 3.900 2.700 5.800 3.019 3.017 3.022 . 0 0 "[ .]" 2
674 1 58 GLU HA 1 58 GLU HG2 3.700 2.500 5.500 3.533 3.513 3.572 . 0 0 "[ .]" 2
675 1 58 GLU H 1 59 GLU H 2.900 2.200 4.200 2.655 2.619 2.690 . 0 0 "[ .]" 2
676 1 58 GLU HA 1 59 GLU H 4.300 3.000 6.600 3.500 3.476 3.531 . 0 0 "[ .]" 2
677 1 58 GLU HB2 1 59 GLU H 3.100 2.300 4.600 2.359 2.342 2.375 . 0 0 "[ .]" 2
678 1 58 GLU HG3 1 59 GLU H 3.300 2.400 4.900 4.729 4.705 4.756 . 0 0 "[ .]" 2
679 1 58 GLU HG2 1 59 GLU QB 3.500 2.600 5.000 5.384 5.333 5.440 0.440 5 0 "[ .]" 2
680 1 58 GLU HB2 1 60 PHE H 3.900 2.700 5.900 4.858 4.829 4.904 . 0 0 "[ .]" 2
681 1 58 GLU HA 1 61 VAL H 3.900 2.700 5.900 3.511 3.463 3.578 . 0 0 "[ .]" 2
682 1 58 GLU HA 1 61 VAL QG 5.500 3.400 8.100 3.003 2.968 3.033 0.432 4 0 "[ .]" 2
683 1 59 GLU H 1 59 GLU HA 3.500 2.300 5.100 2.793 2.788 2.808 . 0 0 "[ .]" 2
684 1 59 GLU H 1 59 GLU QB 2.900 2.100 4.100 2.123 2.082 2.159 0.018 1 0 "[ .]" 2
685 1 59 GLU HA 1 59 GLU HG3 3.000 2.200 4.300 2.994 2.958 3.037 . 0 0 "[ .]" 2
686 1 59 GLU H 1 60 PHE H 2.700 . 3.900 2.718 2.681 2.773 . 0 0 "[ .]" 2
687 1 59 GLU H 1 60 PHE HB3 4.900 3.300 7.800 5.251 5.240 5.266 . 0 0 "[ .]" 2
688 1 59 GLU QB 1 63 MET H 3.100 2.200 4.700 4.294 4.233 4.334 . 0 0 "[ .]" 2
689 1 60 PHE H 1 60 PHE HA 3.500 2.200 5.100 2.775 2.763 2.794 . 0 0 "[ .]" 2
690 1 60 PHE H 1 60 PHE HB3 4.700 3.200 7.300 2.975 2.928 3.010 0.272 4 0 "[ .]" 2
691 1 60 PHE HA 1 60 PHE HB3 4.200 2.900 6.400 3.014 3.011 3.015 . 0 0 "[ .]" 2
692 1 60 PHE HA 1 60 PHE HD1 3.800 2.700 5.600 3.386 2.808 3.840 . 0 0 "[ .]" 2
693 1 60 PHE HA 1 60 PHE HD2 3.700 2.500 5.400 3.445 3.010 3.969 . 0 0 "[ .]" 2
694 1 60 PHE HA 1 60 PHE HZ 4.100 2.800 6.200 5.834 5.801 5.874 . 0 0 "[ .]" 2
695 1 60 PHE H 1 61 VAL H 2.900 2.100 4.200 2.777 2.745 2.809 . 0 0 "[ .]" 2
696 1 60 PHE H 1 61 VAL QG 4.500 3.100 7.000 4.227 4.193 4.271 . 0 0 "[ .]" 2
697 1 60 PHE HA 1 61 VAL H 3.900 2.700 6.400 3.430 3.412 3.451 . 0 0 "[ .]" 2
698 1 60 PHE HD1 1 61 VAL HA 4.600 3.100 7.200 5.012 3.654 6.958 . 0 0 "[ .]" 2
699 1 60 PHE H 1 62 GLN H 4.800 3.200 7.600 4.122 4.074 4.176 . 0 0 "[ .]" 2
700 1 60 PHE H 1 63 MET ME 5.300 3.400 8.300 4.454 4.341 4.518 . 0 0 "[ .]" 2
701 1 60 PHE HA 1 63 MET ME 4.400 3.000 6.800 2.373 2.284 2.420 0.716 1 5 [+-***] 2
702 1 60 PHE HD1 1 63 MET ME 4.300 3.000 6.600 4.070 3.306 4.747 . 0 0 "[ .]" 2
703 1 60 PHE HZ 1 63 MET ME 4.100 2.800 6.300 4.809 4.648 5.046 . 0 0 "[ .]" 2
704 1 60 PHE HA 1 64 MET H 4.100 2.800 6.400 4.282 4.128 4.385 . 0 0 "[ .]" 2
705 1 61 VAL H 1 61 VAL HA 3.600 2.300 5.300 2.949 2.942 2.960 . 0 0 "[ .]" 2
706 1 61 VAL H 1 61 VAL HB 3.200 2.300 4.600 2.529 2.479 2.579 . 0 0 "[ .]" 2
707 1 61 VAL H 1 61 VAL QG 4.100 2.800 4.800 2.205 2.183 2.225 0.617 3 5 [-*+**] 2
708 1 61 VAL HA 1 61 VAL HB 4.000 2.700 6.000 3.021 3.019 3.022 . 0 0 "[ .]" 2
709 1 61 VAL HA 1 61 VAL QG 4.100 2.900 6.200 2.165 2.162 2.172 0.738 4 5 [**-+*] 2
710 1 61 VAL H 1 62 GLN H 2.800 2.100 4.100 2.500 2.484 2.517 . 0 0 "[ .]" 2
711 1 61 VAL HA 1 62 GLN H 4.200 2.900 6.500 3.576 3.550 3.588 . 0 0 "[ .]" 2
712 1 61 VAL HB 1 62 GLN H 3.400 2.200 5.100 2.509 2.368 2.573 . 0 0 "[ .]" 2
713 1 61 VAL QG 1 62 GLN H 3.900 2.900 6.400 3.181 3.112 3.213 . 0 0 "[ .]" 2
714 1 61 VAL QG 1 62 GLN HA 4.700 3.200 7.400 3.372 3.343 3.400 . 0 0 "[ .]" 2
715 1 61 VAL QG 1 62 GLN HB2 5.300 3.400 8.300 4.184 4.153 4.203 . 0 0 "[ .]" 2
716 1 61 VAL QG 1 62 GLN HG3 5.200 3.400 8.200 5.492 5.347 5.563 . 0 0 "[ .]" 2
717 1 61 VAL H 1 63 MET ME 4.600 3.100 7.200 5.055 4.947 5.131 . 0 0 "[ .]" 2
718 1 61 VAL HA 1 64 MET H 4.100 2.800 6.300 3.573 3.510 3.690 . 0 0 "[ .]" 2
719 1 61 VAL HA 1 64 MET ME 4.600 3.100 7.200 5.109 4.833 5.395 . 0 0 "[ .]" 2
720 1 61 VAL HA 1 65 THR MG 4.400 3.000 6.900 4.960 4.937 4.991 . 0 0 "[ .]" 2
721 1 61 VAL QG 1 65 THR MG 4.200 3.100 6.600 2.854 2.783 2.930 0.317 3 0 "[ .]" 2
722 1 62 GLN H 1 62 GLN HG3 3.100 2.300 4.500 4.436 4.410 4.468 . 0 0 "[ .]" 2
723 1 62 GLN HA 1 62 GLN HB3 3.300 2.400 4.800 3.014 3.010 3.020 . 0 0 "[ .]" 2
724 1 62 GLN HA 1 62 GLN HG3 3.300 2.400 4.800 2.613 2.449 2.710 . 0 0 "[ .]" 2
725 1 62 GLN HB2 1 62 GLN HE21 4.500 3.100 6.900 4.044 3.250 4.345 . 0 0 "[ .]" 2
726 1 62 GLN H 1 63 MET H 2.600 . 3.800 2.769 2.737 2.816 . 0 0 "[ .]" 2
727 1 62 GLN HG3 1 63 MET HA 4.100 2.800 6.300 4.307 4.261 4.349 . 0 0 "[ .]" 2
728 1 62 GLN HG3 1 64 MET H 3.800 2.700 5.700 6.018 5.926 6.107 0.407 3 0 "[ .]" 2
729 1 62 GLN HA 1 65 THR HB 4.200 2.900 6.500 3.128 3.031 3.250 . 0 0 "[ .]" 2
730 1 62 GLN HG3 1 65 THR MG 4.400 3.000 6.800 5.973 5.637 6.130 . 0 0 "[ .]" 2
731 1 62 GLN HA 1 66 ALA MB 4.400 3.000 6.900 4.600 4.282 4.889 . 0 0 "[ .]" 2
732 1 62 GLN HB2 1 66 ALA H 3.600 2.300 5.500 5.143 4.984 5.314 . 0 0 "[ .]" 2
733 1 63 MET H 1 63 MET HA 3.100 2.300 4.500 2.883 2.868 2.896 . 0 0 "[ .]" 2
734 1 63 MET H 1 63 MET ME 3.600 2.400 5.300 3.574 3.532 3.620 . 0 0 "[ .]" 2
735 1 63 MET HA 1 63 MET HB3 3.400 2.200 5.000 3.028 3.020 3.036 . 0 0 "[ .]" 2
736 1 63 MET HA 1 63 MET ME 4.200 2.900 6.500 4.163 4.111 4.206 . 0 0 "[ .]" 2
737 1 63 MET HA 1 63 MET HG2 3.700 2.600 5.500 3.018 2.698 3.256 . 0 0 "[ .]" 2
738 1 63 MET HA 1 63 MET HG3 3.700 2.600 5.500 2.734 2.630 2.980 . 0 0 "[ .]" 2
739 1 63 MET HB3 1 63 MET HG3 3.700 2.600 5.500 3.013 2.966 3.034 . 0 0 "[ .]" 2
740 1 63 MET ME 1 63 MET HG2 4.000 2.700 6.000 2.951 2.663 3.352 0.037 2 0 "[ .]" 2
741 1 63 MET ME 1 63 MET HG3 4.300 3.000 6.500 3.126 2.641 3.352 0.359 1 0 "[ .]" 2
742 1 63 MET HA 1 64 MET H 3.300 2.200 4.900 3.504 3.482 3.530 . 0 0 "[ .]" 2
743 1 63 MET HB3 1 64 MET H 3.200 2.300 4.700 2.371 2.178 2.512 0.122 1 0 "[ .]" 2
744 1 63 MET HG2 1 64 MET ME 4.400 3.000 6.800 4.003 3.430 5.084 . 0 0 "[ .]" 2
745 1 63 MET HG2 1 65 THR H 4.300 3.000 6.600 5.757 5.586 5.981 . 0 0 "[ .]" 2
746 1 64 MET H 1 64 MET HA 3.200 2.300 4.600 2.959 2.943 2.970 . 0 0 "[ .]" 2
747 1 64 MET H 1 64 MET ME 4.100 2.800 6.200 3.842 3.611 4.105 . 0 0 "[ .]" 2
748 1 64 MET HA 1 64 MET HB3 3.400 2.200 5.000 2.423 2.350 2.480 . 0 0 "[ .]" 2
749 1 64 MET HA 1 64 MET ME 4.100 2.800 6.200 4.267 3.998 4.627 . 0 0 "[ .]" 2
750 1 64 MET H 1 65 THR H 2.700 . 3.900 2.550 2.500 2.588 . 0 0 "[ .]" 2
751 1 64 MET HB3 1 65 THR HA 4.000 2.700 6.400 4.464 4.373 4.677 . 0 0 "[ .]" 2
752 1 64 MET ME 1 65 THR H 4.100 2.800 6.300 5.433 5.307 5.554 . 0 0 "[ .]" 2
753 1 65 THR H 1 65 THR MG 3.400 2.100 5.000 3.788 3.752 3.840 . 0 0 "[ .]" 2
754 1 65 THR HA 1 65 THR MG 3.400 2.100 5.000 2.416 2.366 2.450 . 0 0 "[ .]" 2
755 1 65 THR H 1 66 ALA H 2.700 . 3.900 2.721 2.695 2.745 . 0 0 "[ .]" 2
756 1 65 THR H 1 66 ALA MB 4.100 2.800 6.300 4.436 4.387 4.487 . 0 0 "[ .]" 2
757 1 65 THR MG 1 66 ALA H 3.900 2.700 6.400 3.360 3.257 3.476 . 0 0 "[ .]" 2
758 1 65 THR MG 1 67 LYS HD3 3.800 2.700 5.700 3.848 3.101 4.266 . 0 0 "[ .]" 2
759 1 66 ALA HA 1 66 ALA MB 3.000 2.300 3.900 2.138 2.135 2.139 0.165 2 0 "[ .]" 2
760 1 66 ALA H 1 67 LYS HD3 3.600 2.400 5.200 5.334 5.044 5.429 0.229 5 0 "[ .]" 2
761 1 66 ALA HA 1 67 LYS H 2.800 2.400 3.300 2.871 2.797 2.962 . 0 0 "[ .]" 2
762 1 66 ALA MB 1 67 LYS H 2.800 2.400 3.300 1.825 1.818 1.829 0.582 3 5 [-*+**] 2
763 1 67 LYS H 1 67 LYS HA 2.700 2.400 3.100 2.854 2.827 2.875 . 0 0 "[ .]" 2
764 1 67 LYS H 1 67 LYS HB3 3.400 2.400 4.700 3.576 3.417 3.808 . 0 0 "[ .]" 2
765 1 67 LYS H 1 67 LYS HG3 3.600 2.300 5.200 4.502 4.190 4.778 . 0 0 "[ .]" 2
766 1 67 LYS HA 1 67 LYS HB3 3.800 2.700 5.600 2.841 2.700 2.932 0.000 3 0 "[ .]" 2
767 1 67 LYS HA 1 67 LYS HB2 3.400 2.100 5.000 2.857 2.772 2.976 . 0 0 "[ .]" 2
768 1 67 LYS HA 1 67 LYS HD3 3.200 2.300 4.300 3.603 2.898 4.259 . 0 0 "[ .]" 2
769 1 67 LYS HA 1 67 LYS HE3 3.700 2.600 5.500 4.996 4.282 6.000 0.500 4 1 "[ +.]" 2
770 1 67 LYS HA 1 67 LYS HG2 3.500 2.300 4.900 3.340 2.868 3.621 . 0 0 "[ .]" 2
771 1 67 LYS HD3 1 67 LYS HE2 2.600 . 3.700 2.615 2.470 3.016 . 0 0 "[ .]" 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 37
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 15.852
_Distance_constraint_stats_list.Viol_max 0.158
_Distance_constraint_stats_list.Viol_rms 0.0326
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0171
_Distance_constraint_stats_list.Viol_average_violations_only 0.0511
_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 12 ASP 0.882 0.084 2 0 "[ .]"
1 14 ASP 0.665 0.103 1 0 "[ .]"
1 16 ASN 0.323 0.084 2 0 "[ .]"
1 18 TYR 0.172 0.050 3 0 "[ .]"
1 23 GLU 0.611 0.089 3 0 "[ .]"
1 48 ASP 0.854 0.158 1 0 "[ .]"
1 50 ASP 0.602 0.082 5 0 "[ .]"
1 52 ASP 0.297 0.082 5 0 "[ .]"
1 54 GLN 0.038 0.016 5 0 "[ .]"
1 59 GLU 0.108 0.032 5 0 "[ .]"
2 1 CA 0.774 0.103 1 0 "[ .]"
3 1 CA 1.014 0.158 1 0 "[ .]"
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 18 TYR O 1 23 GLU OE1 2.920 2.420 3.420 3.404 3.347 3.455 0.035 4 0 "[ .]" 3
2 1 14 ASP OD1 1 16 ASN OD1 2.970 2.470 3.470 3.151 2.858 3.509 0.039 3 0 "[ .]" 3
3 1 12 ASP OD1 1 16 ASN OD1 3.420 2.920 3.920 3.749 2.851 4.004 0.084 2 0 "[ .]" 3
4 1 14 ASP OD1 1 23 GLU OE2 2.880 2.380 3.380 3.271 3.014 3.423 0.043 2 0 "[ .]" 3
5 1 12 ASP OD1 1 14 ASP OD1 3.040 2.540 3.540 2.490 2.476 2.504 0.064 2 0 "[ .]" 3
6 1 12 ASP OD1 1 23 GLU OE2 3.520 3.020 4.020 3.292 3.082 3.450 . 0 0 "[ .]" 3
7 1 12 ASP OD1 1 23 GLU OE1 3.910 3.410 4.410 3.521 3.332 4.143 0.078 4 0 "[ .]" 3
8 1 12 ASP OD1 1 18 TYR O 3.230 2.730 3.730 3.519 3.238 3.780 0.050 3 0 "[ .]" 3
9 1 18 TYR O 1 23 GLU OE2 4.270 3.770 4.770 4.673 4.534 4.768 . 0 0 "[ .]" 3
10 1 18 TYR O 2 1 CA CA 2.350 2.150 2.550 2.536 2.499 2.552 0.002 5 0 "[ .]" 3
11 1 18 TYR C 2 1 CA CA 3.540 3.340 3.740 3.745 3.708 3.768 0.028 1 0 "[ .]" 3
12 1 23 GLU OE1 2 1 CA CA 2.430 2.230 2.630 2.557 2.547 2.565 . 0 0 "[ .]" 3
13 1 23 GLU OE2 2 1 CA CA 2.380 2.180 2.580 2.638 2.614 2.669 0.089 3 0 "[ .]" 3
14 1 14 ASP OD1 2 1 CA CA 2.500 2.300 2.700 2.733 2.569 2.803 0.103 1 0 "[ .]" 3
15 1 16 ASN OD1 2 1 CA CA 2.400 2.200 2.600 2.505 2.499 2.513 . 0 0 "[ .]" 3
16 1 12 ASP OD1 2 1 CA CA 2.400 2.200 2.600 2.619 2.586 2.673 0.073 4 0 "[ .]" 3
17 1 18 TYR C 1 23 GLU OE1 3.890 3.390 4.390 4.268 4.190 4.325 . 0 0 "[ .]" 3
18 1 54 GLN C 1 59 GLU OE1 3.920 3.420 4.420 4.122 4.111 4.147 . 0 0 "[ .]" 3
19 1 48 ASP OD1 1 59 GLU OE2 3.150 2.650 3.650 2.628 2.618 2.643 0.032 5 0 "[ .]" 3
20 1 50 ASP OD1 1 59 GLU OE2 2.670 2.170 3.170 2.978 2.823 3.057 . 0 0 "[ .]" 3
21 1 54 GLN O 1 59 GLU OE2 4.360 3.860 4.860 4.268 4.194 4.332 . 0 0 "[ .]" 3
22 1 48 ASP OD1 1 59 GLU OE1 3.620 3.120 4.120 3.538 3.406 3.618 . 0 0 "[ .]" 3
23 1 50 ASP OD1 1 59 GLU OE1 4.360 3.860 4.860 4.449 4.362 4.503 . 0 0 "[ .]" 3
24 1 54 GLN O 1 59 GLU OE1 2.890 2.390 3.390 3.227 3.215 3.254 . 0 0 "[ .]" 3
25 1 52 ASP OD1 1 54 GLN O 3.000 2.500 3.500 2.895 2.812 2.924 . 0 0 "[ .]" 3
26 1 50 ASP OD1 1 54 GLN O 4.270 3.770 4.770 4.757 4.667 4.786 0.016 5 0 "[ .]" 3
27 1 48 ASP OD1 1 54 GLN O 3.180 2.680 3.680 3.328 2.998 3.467 . 0 0 "[ .]" 3
28 1 50 ASP OD1 1 52 ASP OD1 2.750 2.250 3.250 3.309 3.276 3.332 0.082 5 0 "[ .]" 3
29 1 48 ASP OD1 1 52 ASP OD1 3.340 2.840 3.840 3.379 3.073 3.544 . 0 0 "[ .]" 3
30 1 48 ASP OD1 1 50 ASP OD1 2.620 2.120 3.120 2.867 2.835 2.906 . 0 0 "[ .]" 3
31 1 54 GLN O 3 1 CA CA 2.300 2.100 2.500 2.469 2.454 2.483 . 0 0 "[ .]" 3
32 1 54 GLN C 3 1 CA CA 3.520 3.320 3.720 3.462 3.435 3.474 . 0 0 "[ .]" 3
33 1 59 GLU OE1 3 1 CA CA 2.550 2.350 2.750 2.576 2.563 2.587 . 0 0 "[ .]" 3
34 1 59 GLU OE2 3 1 CA CA 2.400 2.200 2.600 2.564 2.550 2.581 . 0 0 "[ .]" 3
35 1 52 ASP OD1 3 1 CA CA 2.370 2.170 2.570 2.491 2.474 2.501 . 0 0 "[ .]" 3
36 1 50 ASP OD1 3 1 CA CA 2.300 2.100 2.500 2.553 2.545 2.561 0.061 1 0 "[ .]" 3
37 1 48 ASP OD1 3 1 CA CA 2.200 . 2.400 2.549 2.546 2.558 0.158 1 0 "[ .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 39
_Distance_constraint_stats_list.Viol_total 24.907
_Distance_constraint_stats_list.Viol_max 0.301
_Distance_constraint_stats_list.Viol_rms 0.0573
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0217
_Distance_constraint_stats_list.Viol_average_violations_only 0.1277
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.000 0.000 . 0 "[ .]"
1 2 GLU 0.704 0.165 5 0 "[ .]"
1 3 GLU 1.238 0.301 3 0 "[ .]"
1 4 ILE 0.000 0.000 . 0 "[ .]"
1 5 ARG 0.406 0.105 3 0 "[ .]"
1 6 GLU 0.704 0.165 5 0 "[ .]"
1 7 ALA 1.238 0.301 3 0 "[ .]"
1 8 PHE 0.000 0.000 . 0 "[ .]"
1 9 ARG 0.406 0.105 3 0 "[ .]"
1 10 VAL 0.000 0.000 . 0 "[ .]"
1 19 ILE 0.528 0.173 1 0 "[ .]"
1 21 ALA 0.000 0.000 . 0 "[ .]"
1 22 ALA 0.917 0.244 4 0 "[ .]"
1 23 GLU 0.000 0.000 . 0 "[ .]"
1 24 LEU 0.003 0.003 1 0 "[ .]"
1 25 ARG 0.005 0.005 3 0 "[ .]"
1 26 HIS 0.917 0.244 4 0 "[ .]"
1 27 VAL 0.000 0.000 . 0 "[ .]"
1 28 MET 0.003 0.003 1 0 "[ .]"
1 29 THR 0.005 0.005 3 0 "[ .]"
1 30 ASN 0.000 0.000 . 0 "[ .]"
1 37 ASP 0.043 0.043 3 0 "[ .]"
1 38 GLU 0.000 0.000 . 0 "[ .]"
1 39 GLU 0.441 0.132 3 0 "[ .]"
1 40 VAL 0.000 0.000 . 0 "[ .]"
1 41 ASP 0.043 0.043 3 0 "[ .]"
1 42 GLU 0.000 0.000 . 0 "[ .]"
1 43 MET 0.441 0.132 3 0 "[ .]"
1 44 ILE 0.000 0.000 . 0 "[ .]"
1 45 ARG 0.000 0.000 . 0 "[ .]"
1 55 VAL 0.528 0.173 1 0 "[ .]"
1 57 TYR 0.016 0.016 3 0 "[ .]"
1 58 GLU 0.000 0.000 . 0 "[ .]"
1 59 GLU 0.007 0.007 1 0 "[ .]"
1 60 PHE 0.673 0.222 4 0 "[ .]"
1 61 VAL 0.016 0.016 3 0 "[ .]"
1 62 GLN 0.000 0.000 . 0 "[ .]"
1 63 MET 0.007 0.007 1 0 "[ .]"
1 64 MET 0.673 0.222 4 0 "[ .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU O 1 5 ARG N 3.100 2.700 3.500 2.885 2.843 2.953 . 0 0 "[ .]" 4
2 1 1 GLU O 1 5 ARG H 2.000 . 2.300 1.977 1.910 2.056 . 0 0 "[ .]" 4
3 1 2 GLU O 1 6 GLU N 3.100 2.700 3.500 2.559 2.535 2.583 0.165 5 0 "[ .]" 4
4 1 2 GLU O 1 6 GLU H 2.000 . 2.300 1.836 1.803 1.866 . 0 0 "[ .]" 4
5 1 3 GLU O 1 7 ALA N 3.100 2.700 3.500 3.321 3.289 3.363 . 0 0 "[ .]" 4
6 1 3 GLU O 1 7 ALA H 2.000 . 2.300 2.548 2.487 2.601 0.301 3 0 "[ .]" 4
7 1 4 ILE O 1 8 PHE N 3.100 2.700 3.500 2.973 2.951 2.991 . 0 0 "[ .]" 4
8 1 4 ILE O 1 8 PHE H 2.000 . 2.300 2.101 2.061 2.153 . 0 0 "[ .]" 4
9 1 5 ARG O 1 9 ARG N 3.100 2.700 3.500 2.619 2.595 2.649 0.105 3 0 "[ .]" 4
10 1 5 ARG O 1 9 ARG H 2.000 . 2.300 1.905 1.875 1.939 . 0 0 "[ .]" 4
11 1 6 GLU O 1 10 VAL N 3.100 2.700 3.500 2.916 2.884 2.944 . 0 0 "[ .]" 4
12 1 6 GLU O 1 10 VAL H 2.000 . 2.300 2.030 2.008 2.063 . 0 0 "[ .]" 4
13 1 19 ILE O 1 55 VAL N 3.100 2.700 3.500 3.137 3.002 3.197 . 0 0 "[ .]" 4
14 1 19 ILE O 1 55 VAL H 2.000 . 2.300 2.395 2.260 2.473 0.173 1 0 "[ .]" 4
15 1 19 ILE N 1 55 VAL O 3.100 2.700 3.500 2.709 2.687 2.717 0.013 2 0 "[ .]" 4
16 1 19 ILE H 1 55 VAL O 2.000 . 2.300 1.893 1.858 1.909 . 0 0 "[ .]" 4
17 1 21 ALA O 1 25 ARG N 3.100 2.700 3.500 2.954 2.818 3.023 . 0 0 "[ .]" 4
18 1 21 ALA O 1 25 ARG H 2.000 . 2.300 1.995 1.933 2.045 . 0 0 "[ .]" 4
19 1 22 ALA O 1 26 HIS N 3.100 2.700 3.500 3.151 3.104 3.187 . 0 0 "[ .]" 4
20 1 22 ALA O 1 26 HIS H 2.000 . 2.300 2.483 2.453 2.544 0.244 4 0 "[ .]" 4
21 1 23 GLU O 1 27 VAL N 3.100 2.700 3.500 2.825 2.754 2.886 . 0 0 "[ .]" 4
22 1 23 GLU O 1 27 VAL H 2.000 . 2.300 1.868 1.789 1.921 . 0 0 "[ .]" 4
23 1 24 LEU O 1 28 MET N 3.100 2.700 3.500 2.736 2.697 2.788 0.003 1 0 "[ .]" 4
24 1 24 LEU O 1 28 MET H 2.000 . 2.300 1.776 1.740 1.832 . 0 0 "[ .]" 4
25 1 25 ARG O 1 29 THR N 3.100 2.700 3.500 2.723 2.695 2.749 0.005 3 0 "[ .]" 4
26 1 25 ARG O 1 29 THR H 2.000 . 2.300 1.863 1.843 1.886 . 0 0 "[ .]" 4
27 1 26 HIS O 1 30 ASN N 3.100 2.700 3.500 2.874 2.825 2.938 . 0 0 "[ .]" 4
28 1 26 HIS O 1 30 ASN H 2.000 . 2.300 1.939 1.870 2.010 . 0 0 "[ .]" 4
29 1 37 ASP O 1 41 ASP N 3.100 2.700 3.500 3.029 2.886 3.188 . 0 0 "[ .]" 4
30 1 37 ASP O 1 41 ASP H 2.000 . 2.300 2.190 2.038 2.343 0.043 3 0 "[ .]" 4
31 1 38 GLU O 1 42 GLU N 3.100 2.700 3.500 3.159 3.106 3.221 . 0 0 "[ .]" 4
32 1 38 GLU O 1 42 GLU H 2.000 . 2.300 2.204 2.142 2.280 . 0 0 "[ .]" 4
33 1 39 GLU O 1 43 MET N 3.100 2.700 3.500 2.612 2.568 2.635 0.132 3 0 "[ .]" 4
34 1 39 GLU O 1 43 MET H 2.000 . 2.300 1.826 1.809 1.850 . 0 0 "[ .]" 4
35 1 40 VAL O 1 44 ILE N 3.100 2.700 3.500 2.959 2.797 3.063 . 0 0 "[ .]" 4
36 1 40 VAL O 1 44 ILE H 2.000 . 2.300 2.171 2.026 2.278 . 0 0 "[ .]" 4
37 1 41 ASP O 1 45 ARG N 3.100 2.700 3.500 3.161 3.089 3.223 . 0 0 "[ .]" 4
38 1 41 ASP O 1 45 ARG H 2.000 . 2.300 2.217 2.147 2.284 . 0 0 "[ .]" 4
39 1 57 TYR O 1 61 VAL N 3.100 2.700 3.500 3.077 2.995 3.169 . 0 0 "[ .]" 4
40 1 57 TYR O 1 61 VAL H 2.000 . 2.300 2.241 2.147 2.316 0.016 3 0 "[ .]" 4
41 1 58 GLU O 1 62 GLN N 3.100 2.700 3.500 2.824 2.802 2.852 . 0 0 "[ .]" 4
42 1 58 GLU O 1 62 GLN H 2.000 . 2.300 1.890 1.858 1.939 . 0 0 "[ .]" 4
43 1 59 GLU O 1 63 MET N 3.100 2.700 3.500 2.714 2.693 2.728 0.007 1 0 "[ .]" 4
44 1 59 GLU O 1 63 MET H 2.000 . 2.300 1.808 1.785 1.825 . 0 0 "[ .]" 4
45 1 60 PHE O 1 64 MET N 3.100 2.700 3.500 3.366 3.178 3.474 . 0 0 "[ .]" 4
46 1 60 PHE O 1 64 MET H 2.000 . 2.300 2.421 2.231 2.522 0.222 4 0 "[ .]" 4
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