NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603229 |
2n81   |
25830 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n81
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 4
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 4.646
_Distance_constraint_stats_list.Viol_max 0.019
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0106
_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 26 PRO 0.215 0.019 11 0 "[ . 1 . 2]"
1 27 PRO 0.017 0.006 12 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PRO 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 26 PRO CG 1 26 PRO N . . 2.330 2.336 2.256 2.349 0.019 11 0 "[ . 1 . 2]" 1
2 1 27 PRO CG 1 27 PRO N . . 2.330 2.292 2.256 2.336 0.006 12 0 "[ . 1 . 2]" 1
3 1 28 PRO CG 1 28 PRO N . . 2.330 2.291 2.253 2.318 . 0 0 "[ . 1 . 2]" 1
4 1 29 PRO CG 1 29 PRO N . . 2.330 2.293 2.281 2.321 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 11
_Distance_constraint_stats_list.Viol_count 77
_Distance_constraint_stats_list.Viol_total 342.643
_Distance_constraint_stats_list.Viol_max 0.576
_Distance_constraint_stats_list.Viol_rms 0.1326
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0779
_Distance_constraint_stats_list.Viol_average_violations_only 0.2225
_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 8 SER 6.120 0.360 15 0 "[ . 1 . 2]"
1 9 ALA 6.120 0.360 15 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 5.517 0.328 13 0 "[ . 1 . 2]"
1 42 THR 0.864 0.196 6 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 1.162 0.263 10 0 "[ . 1 . 2]"
1 55 LYS 0.618 0.148 7 0 "[ . 1 . 2]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 2.851 0.576 16 4 "[- . * 1* .+ 2]"
1 86 THR 2.851 0.576 16 4 "[- . * 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 37 LEU H 1 37 LEU HB3 . . 3.260 3.536 3.480 3.588 0.328 13 0 "[ . 1 . 2]" 2
2 1 45 PRO HD2 1 46 ASP H . . 3.650 2.686 2.663 2.734 . 0 0 "[ . 1 . 2]" 2
3 1 54 LEU H 1 54 LEU HG . . 3.690 3.242 1.970 3.953 0.263 10 0 "[ . 1 . 2]" 2
4 1 55 LYS H 1 55 LYS QG . . 3.900 3.794 2.957 4.048 0.148 7 0 "[ . 1 . 2]" 2
5 1 8 SER HA 1 9 ALA H . . 3.170 3.476 3.415 3.530 0.360 15 0 "[ . 1 . 2]" 2
6 1 21 PRO HB2 1 22 ASN H . . 3.450 2.386 1.983 2.595 . 0 0 "[ . 1 . 2]" 2
7 1 42 THR H 1 42 THR MG . . 3.760 3.201 1.906 3.956 0.196 6 0 "[ . 1 . 2]" 2
8 1 61 ILE H 1 61 ILE HB . . 2.840 2.454 2.381 2.590 . 0 0 "[ . 1 . 2]" 2
9 1 63 LYS H 1 63 LYS HA . . 2.930 2.276 2.274 2.280 . 0 0 "[ . 1 . 2]" 2
10 1 84 ILE H 1 84 ILE HB . . 3.640 2.629 2.510 2.904 . 0 0 "[ . 1 . 2]" 2
11 1 85 SER HB3 1 86 THR H . . 3.480 3.344 2.640 4.056 0.576 16 4 "[- . * 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 523
_Distance_constraint_stats_list.Viol_count 1405
_Distance_constraint_stats_list.Viol_total 2057.266
_Distance_constraint_stats_list.Viol_max 0.992
_Distance_constraint_stats_list.Viol_rms 0.0459
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.0732
_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 ALA 0.002 0.002 6 0 "[ . 1 . 2]"
1 2 LEU 5.155 0.171 17 0 "[ . 1 . 2]"
1 3 SER 6.301 0.395 18 0 "[ . 1 . 2]"
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 THR 0.203 0.021 10 0 "[ . 1 . 2]"
1 7 VAL 1.895 0.094 8 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.084 0.015 10 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 2.578 0.270 16 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PRO 0.726 0.070 5 0 "[ . 1 . 2]"
1 14 CYS 0.114 0.015 12 0 "[ . 1 . 2]"
1 15 VAL 0.008 0.008 11 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 2.002 0.122 19 0 "[ . 1 . 2]"
1 18 LEU 1.083 0.048 5 0 "[ . 1 . 2]"
1 19 GLN 4.477 0.612 7 4 "[ *. + 1 - *2]"
1 20 ALA 6.751 0.353 3 0 "[ . 1 . 2]"
1 21 PRO 6.761 0.353 3 0 "[ . 1 . 2]"
1 22 ASN 1.589 0.084 8 0 "[ . 1 . 2]"
1 23 ASN 1.094 0.329 13 0 "[ . 1 . 2]"
1 24 ALA 2.029 0.329 13 0 "[ . 1 . 2]"
1 25 SER 1.444 0.176 11 0 "[ . 1 . 2]"
1 26 PRO 2.469 0.752 13 2 "[ - . 1 + . 2]"
1 27 PRO 0.610 0.140 20 0 "[ . 1 . 2]"
1 28 PRO 0.021 0.011 10 0 "[ . 1 . 2]"
1 29 PRO 9.745 0.264 6 0 "[ . 1 . 2]"
1 30 CYS 9.553 0.264 6 0 "[ . 1 . 2]"
1 31 CYS 7.587 0.204 15 0 "[ . 1 . 2]"
1 32 ALA 4.123 0.197 4 0 "[ . 1 . 2]"
1 33 GLY 1.372 0.157 4 0 "[ . 1 . 2]"
1 34 VAL 1.866 0.089 10 0 "[ . 1 . 2]"
1 35 LYS 4.877 0.194 16 0 "[ . 1 . 2]"
1 36 LYS 5.126 0.322 19 0 "[ . 1 . 2]"
1 37 LEU 1.072 0.142 17 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.275 0.021 8 0 "[ . 1 . 2]"
1 42 THR 0.103 0.038 2 0 "[ . 1 . 2]"
1 43 THR 0.176 0.021 8 0 "[ . 1 . 2]"
1 44 THR 1.477 0.126 12 0 "[ . 1 . 2]"
1 45 PRO 2.905 0.199 18 0 "[ . 1 . 2]"
1 46 ASP 4.254 0.199 18 0 "[ . 1 . 2]"
1 47 ARG 8.629 0.992 15 6 "[* .*- 1 +** 2]"
1 48 GLN 7.689 0.992 15 6 "[* .*- 1 +** 2]"
1 49 ALA 2.797 0.138 12 0 "[ . 1 . 2]"
1 50 ALA 0.083 0.042 12 0 "[ . 1 . 2]"
1 51 CYS 0.056 0.022 7 0 "[ . 1 . 2]"
1 52 ASN 1.627 0.133 12 0 "[ . 1 . 2]"
1 53 CYS 0.046 0.042 12 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.502 0.065 20 0 "[ . 1 . 2]"
1 56 SER 0.112 0.107 10 0 "[ . 1 . 2]"
1 57 ALA 0.571 0.107 10 0 "[ . 1 . 2]"
1 58 ALA 1.899 0.153 7 0 "[ . 1 . 2]"
1 59 GLY 0.005 0.005 19 0 "[ . 1 . 2]"
1 60 SER 0.522 0.047 4 0 "[ . 1 . 2]"
1 61 ILE 3.968 0.199 20 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 1.847 0.199 20 0 "[ . 1 . 2]"
1 64 LEU 0.423 0.322 20 0 "[ . 1 . 2]"
1 65 ASN 0.964 0.322 20 0 "[ . 1 . 2]"
1 66 THR 0.479 0.045 19 0 "[ . 1 . 2]"
1 67 ASN 3.699 0.316 20 0 "[ . 1 . 2]"
1 68 ASN 5.351 0.316 20 0 "[ . 1 . 2]"
1 69 ALA 2.365 0.123 15 0 "[ . 1 . 2]"
1 70 ALA 1.502 0.109 8 0 "[ . 1 . 2]"
1 71 ALA 0.127 0.050 19 0 "[ . 1 . 2]"
1 72 LEU 0.003 0.003 16 0 "[ . 1 . 2]"
1 73 PRO 2.502 0.168 1 0 "[ . 1 . 2]"
1 74 GLY 2.432 0.168 1 0 "[ . 1 . 2]"
1 75 LYS 2.600 0.820 1 3 "[+ - . 1 * . 2]"
1 76 CYS 1.303 0.096 5 0 "[ . 1 . 2]"
1 77 GLY 3.622 0.215 6 0 "[ . 1 . 2]"
1 78 VAL 1.743 0.092 7 0 "[ . 1 . 2]"
1 79 SER 0.169 0.020 15 0 "[ . 1 . 2]"
1 80 ILE 1.477 0.888 15 1 "[ . 1 + 2]"
1 81 PRO 0.021 0.021 16 0 "[ . 1 . 2]"
1 82 TYR 1.460 0.888 15 1 "[ . 1 + 2]"
1 83 LYS 2.739 0.699 8 2 "[- . + 1 . 2]"
1 84 ILE 0.056 0.046 9 0 "[ . 1 . 2]"
1 85 SER 0.844 0.128 12 0 "[ . 1 . 2]"
1 86 THR 0.058 0.023 18 0 "[ . 1 . 2]"
1 87 SER 0.423 0.164 20 0 "[ . 1 . 2]"
1 88 THR 0.835 0.103 12 0 "[ . 1 . 2]"
1 89 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 CYS 0.626 0.103 12 0 "[ . 1 . 2]"
1 91 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.258 0.074 12 0 "[ . 1 . 2]"
1 94 ARG 0.646 0.194 9 0 "[ . 1 . 2]"
1 95 PHE 2.563 0.194 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 67 ASN HA 1 70 ALA MB . . 3.130 3.205 3.168 3.239 0.109 8 0 "[ . 1 . 2]" 3
2 1 41 ALA MB 1 46 ASP HB3 . . 3.540 2.910 1.923 3.547 0.007 10 0 "[ . 1 . 2]" 3
3 1 80 ILE HA 1 81 PRO HD3 . . 2.900 2.316 2.311 2.337 . 0 0 "[ . 1 . 2]" 3
4 1 7 VAL HB 1 53 CYS QB . . 3.530 2.799 2.380 3.406 . 0 0 "[ . 1 . 2]" 3
5 1 23 ASN HA 1 23 ASN HB2 . . 2.970 2.775 2.367 3.020 0.050 4 0 "[ . 1 . 2]" 3
6 1 49 ALA HA 1 52 ASN HB3 . . 3.890 3.950 3.915 4.023 0.133 12 0 "[ . 1 . 2]" 3
7 1 93 VAL HA 1 93 VAL MG2 . . 3.160 2.427 2.385 2.489 . 0 0 "[ . 1 . 2]" 3
8 1 93 VAL HA 1 93 VAL MG1 . . 3.290 2.338 2.210 2.401 . 0 0 "[ . 1 . 2]" 3
9 1 84 ILE HA 1 84 ILE MG . . 3.080 2.297 2.143 2.390 . 0 0 "[ . 1 . 2]" 3
10 1 49 ALA HA 1 52 ASN HD22 . . 3.630 3.649 3.636 3.666 0.036 12 0 "[ . 1 . 2]" 3
11 1 49 ALA HA 1 52 ASN HB2 . . 3.210 2.424 2.376 2.522 . 0 0 "[ . 1 . 2]" 3
12 1 73 PRO HA 1 76 CYS HB2 . . 3.560 2.452 2.165 3.378 . 0 0 "[ . 1 . 2]" 3
13 1 34 VAL MG1 1 35 LYS HA . . 3.140 3.214 3.194 3.229 0.089 10 0 "[ . 1 . 2]" 3
14 1 34 VAL HA 1 34 VAL MG1 . . 2.990 2.444 2.439 2.455 . 0 0 "[ . 1 . 2]" 3
15 1 18 LEU HA 1 18 LEU MD2 . . 2.660 2.239 2.014 2.456 . 0 0 "[ . 1 . 2]" 3
16 1 18 LEU HA 1 68 ASN HB2 . . 3.620 3.056 2.796 3.222 . 0 0 "[ . 1 . 2]" 3
17 1 42 THR HA 1 42 THR MG . . 3.150 2.342 2.024 3.188 0.038 2 0 "[ . 1 . 2]" 3
18 1 33 GLY HA2 1 36 LYS HB2 . . 3.370 2.272 2.096 2.377 . 0 0 "[ . 1 . 2]" 3
19 1 17 TYR HA 1 17 TYR QD . . 3.260 2.470 2.221 3.012 . 0 0 "[ . 1 . 2]" 3
20 1 17 TYR HA 1 17 TYR HB2 . . 2.990 2.368 2.314 2.401 . 0 0 "[ . 1 . 2]" 3
21 1 92 THR HA 1 92 THR MG . . 2.700 2.386 2.221 2.472 . 0 0 "[ . 1 . 2]" 3
22 1 68 ASN HA 1 71 ALA MB . . 2.890 2.843 2.514 2.940 0.050 19 0 "[ . 1 . 2]" 3
23 1 41 ALA MB 1 47 ARG HA . . 3.280 2.043 1.884 2.653 . 0 0 "[ . 1 . 2]" 3
24 1 32 ALA HA 1 35 LYS QD . . 3.340 2.334 1.986 3.346 0.006 7 0 "[ . 1 . 2]" 3
25 1 32 ALA HA 1 35 LYS QB . . 3.080 3.133 2.927 3.209 0.129 4 0 "[ . 1 . 2]" 3
26 1 76 CYS HB2 1 78 VAL MG1 . . 3.600 3.590 3.360 3.617 0.017 11 0 "[ . 1 . 2]" 3
27 1 35 LYS HG2 1 78 VAL MG1 . . 2.990 3.017 2.992 3.043 0.053 11 0 "[ . 1 . 2]" 3
28 1 78 VAL HA 1 78 VAL MG1 . . 3.250 2.208 2.136 2.318 . 0 0 "[ . 1 . 2]" 3
29 1 76 CYS HB3 1 78 VAL MG1 . . 3.540 2.548 2.403 2.740 . 0 0 "[ . 1 . 2]" 3
30 1 90 CYS HA 1 93 VAL MG2 . . 3.320 2.155 1.882 3.087 . 0 0 "[ . 1 . 2]" 3
31 1 82 TYR QB 1 93 VAL MG2 . . 3.340 2.132 1.867 2.613 . 0 0 "[ . 1 . 2]" 3
32 1 58 ALA MB 1 64 LEU QD . . 2.860 2.185 1.820 2.692 . 0 0 "[ . 1 . 2]" 3
33 1 13 PRO HB2 1 30 CYS HA . . 3.080 3.116 3.070 3.150 0.070 5 0 "[ . 1 . 2]" 3
34 1 25 SER HA 1 26 PRO HD2 . . 2.900 2.649 2.085 2.984 0.084 1 0 "[ . 1 . 2]" 3
35 1 25 SER HA 1 26 PRO HD3 . . 2.940 2.185 1.958 2.706 . 0 0 "[ . 1 . 2]" 3
36 1 44 THR HA 1 44 THR MG . . 3.290 2.645 2.630 2.650 . 0 0 "[ . 1 . 2]" 3
37 1 44 THR MG 1 95 PHE HB3 . . 3.550 2.139 1.879 3.316 . 0 0 "[ . 1 . 2]" 3
38 1 44 THR MG 1 95 PHE QE . . 3.690 3.449 2.779 3.816 0.126 12 0 "[ . 1 . 2]" 3
39 1 44 THR MG 1 95 PHE HB2 . . 3.260 3.259 3.087 3.369 0.109 18 0 "[ . 1 . 2]" 3
40 1 54 LEU HA 1 54 LEU QD . . 2.800 2.286 1.934 2.724 . 0 0 "[ . 1 . 2]" 3
41 1 85 SER HA 1 85 SER HB3 . . 2.860 2.639 2.293 2.988 0.128 12 0 "[ . 1 . 2]" 3
42 1 7 VAL MG2 1 53 CYS QB . . 2.930 2.691 2.058 2.933 0.003 10 0 "[ . 1 . 2]" 3
43 1 7 VAL MG2 1 50 ALA HA . . 3.120 2.944 2.545 3.130 0.010 5 0 "[ . 1 . 2]" 3
44 1 7 VAL HA 1 7 VAL MG2 . . 3.100 2.372 2.277 2.430 . 0 0 "[ . 1 . 2]" 3
45 1 28 PRO HA 1 31 CYS HB2 . . 3.320 3.050 2.836 3.331 0.011 10 0 "[ . 1 . 2]" 3
46 1 58 ALA HA 1 61 ILE MD . . 3.280 1.895 1.877 1.964 . 0 0 "[ . 1 . 2]" 3
47 1 52 ASN HA 1 55 LYS QB . . 3.070 2.880 2.567 3.095 0.025 20 0 "[ . 1 . 2]" 3
48 1 6 THR HA 1 6 THR MG . . 3.110 2.360 2.307 2.415 . 0 0 "[ . 1 . 2]" 3
49 1 61 ILE HA 1 62 PRO HD2 . . 2.990 2.013 1.923 2.115 . 0 0 "[ . 1 . 2]" 3
50 1 55 LYS QE 1 86 THR HA . . 3.590 3.274 2.473 3.613 0.023 18 0 "[ . 1 . 2]" 3
51 1 55 LYS QG 1 86 THR HA . . 3.380 3.186 2.048 3.325 . 0 0 "[ . 1 . 2]" 3
52 1 50 ALA HA 1 53 CYS QB . . 3.340 3.148 2.928 3.382 0.042 12 0 "[ . 1 . 2]" 3
53 1 43 THR HB 1 45 PRO HD2 . . 2.980 2.402 2.329 2.500 . 0 0 "[ . 1 . 2]" 3
54 1 80 ILE HA 1 80 ILE MG . . 3.320 2.193 2.051 2.283 . 0 0 "[ . 1 . 2]" 3
55 1 34 VAL HA 1 34 VAL MG2 . . 2.830 2.285 2.210 2.380 . 0 0 "[ . 1 . 2]" 3
56 1 18 LEU MD2 1 69 ALA HA . . 2.730 2.742 2.449 2.778 0.048 5 0 "[ . 1 . 2]" 3
57 1 65 ASN HB3 1 68 ASN HB2 . . 3.640 2.064 1.988 2.478 . 0 0 "[ . 1 . 2]" 3
58 1 58 ALA MB 1 61 ILE MD . . 3.050 3.124 3.075 3.203 0.153 7 0 "[ . 1 . 2]" 3
59 1 17 TYR HB2 1 26 PRO HA . . 3.310 2.752 2.284 3.220 . 0 0 "[ . 1 . 2]" 3
60 1 20 ALA HA 1 21 PRO HD3 . . 3.170 2.364 2.354 2.371 . 0 0 "[ . 1 . 2]" 3
61 1 2 LEU MD2 1 41 ALA MB . . 2.990 2.865 2.085 3.007 0.017 19 0 "[ . 1 . 2]" 3
62 1 2 LEU MD2 1 50 ALA MB . . 2.880 2.509 1.912 2.887 0.007 10 0 "[ . 1 . 2]" 3
63 1 2 LEU MD2 1 50 ALA HA . . 3.390 3.167 2.576 3.391 0.001 18 0 "[ . 1 . 2]" 3
64 1 33 GLY HA3 1 36 LYS HB2 . . 3.810 3.871 3.663 3.967 0.157 4 0 "[ . 1 . 2]" 3
65 1 26 PRO HA 1 27 PRO HD3 . . 2.400 2.105 1.896 2.540 0.140 20 0 "[ . 1 . 2]" 3
66 1 16 THR HA 1 16 THR HB . . 2.790 2.393 2.387 2.401 . 0 0 "[ . 1 . 2]" 3
67 1 76 CYS HB2 1 78 VAL MG2 . . 3.570 2.374 2.200 2.572 . 0 0 "[ . 1 . 2]" 3
68 1 73 PRO HA 1 78 VAL MG2 . . 3.060 2.159 1.914 2.439 . 0 0 "[ . 1 . 2]" 3
69 1 78 VAL HA 1 78 VAL MG2 . . 3.560 3.190 3.181 3.203 . 0 0 "[ . 1 . 2]" 3
70 1 76 CYS HB3 1 78 VAL MG2 . . 3.520 2.436 2.033 2.726 . 0 0 "[ . 1 . 2]" 3
71 1 73 PRO HB3 1 78 VAL MG2 . . 3.050 2.795 2.341 3.063 0.013 16 0 "[ . 1 . 2]" 3
72 1 43 THR HA 1 43 THR MG . . 2.800 2.474 2.432 2.544 . 0 0 "[ . 1 . 2]" 3
73 1 17 TYR QD 1 26 PRO HA . . 3.790 3.373 2.921 3.595 . 0 0 "[ . 1 . 2]" 3
74 1 17 TYR HB3 1 26 PRO HA . . 3.650 3.659 3.450 3.772 0.122 19 0 "[ . 1 . 2]" 3
75 1 15 VAL HA 1 18 LEU HB2 . . 3.020 2.430 2.092 2.811 . 0 0 "[ . 1 . 2]" 3
76 1 15 VAL HA 1 15 VAL MG1 . . 2.950 2.361 2.311 2.491 . 0 0 "[ . 1 . 2]" 3
77 1 15 VAL HA 1 18 LEU MD1 . . 2.910 2.342 1.931 2.918 0.008 11 0 "[ . 1 . 2]" 3
78 1 80 ILE HA 1 81 PRO HD2 . . 3.220 2.440 2.429 2.485 . 0 0 "[ . 1 . 2]" 3
79 1 80 ILE HB 1 81 PRO HD2 . . 3.400 1.975 1.957 1.988 . 0 0 "[ . 1 . 2]" 3
80 1 37 LEU HA 1 40 ALA MB . . 3.150 1.938 1.884 2.180 . 0 0 "[ . 1 . 2]" 3
81 1 17 TYR QE 1 24 ALA MB . . 3.350 2.727 2.103 3.335 . 0 0 "[ . 1 . 2]" 3
82 1 17 TYR QD 1 24 ALA MB . . 3.070 2.276 1.880 2.559 . 0 0 "[ . 1 . 2]" 3
83 1 24 ALA MB 1 68 ASN HD22 . . 3.510 2.865 1.998 3.428 . 0 0 "[ . 1 . 2]" 3
84 1 12 ALA HA 1 15 VAL MG2 . . 2.780 2.117 1.942 2.326 . 0 0 "[ . 1 . 2]" 3
85 1 88 THR HA 1 88 THR MG . . 3.190 2.359 2.250 2.445 . 0 0 "[ . 1 . 2]" 3
86 1 88 THR MG 1 90 CYS HA . . 3.180 3.201 3.072 3.283 0.103 12 0 "[ . 1 . 2]" 3
87 1 82 TYR QB 1 88 THR MG . . 3.110 2.896 2.263 3.183 0.073 12 0 "[ . 1 . 2]" 3
88 1 27 PRO HA 1 28 PRO HD3 . . 2.990 2.150 2.014 2.325 . 0 0 "[ . 1 . 2]" 3
89 1 61 ILE MG 1 62 PRO HD2 . . 3.440 2.199 1.878 2.697 . 0 0 "[ . 1 . 2]" 3
90 1 61 ILE HA 1 61 ILE MG . . 3.140 2.448 2.400 2.491 . 0 0 "[ . 1 . 2]" 3
91 1 7 VAL MG1 1 53 CYS QB . . 2.950 2.282 1.974 2.564 . 0 0 "[ . 1 . 2]" 3
92 1 7 VAL HA 1 7 VAL MG1 . . 3.050 2.320 2.217 2.364 . 0 0 "[ . 1 . 2]" 3
93 1 26 PRO HD3 1 75 LYS HB3 . . 3.700 3.118 2.386 4.452 0.752 13 2 "[ - . 1 + . 2]" 3
94 1 17 TYR HA 1 20 ALA MB . . 2.840 2.283 1.961 2.873 0.033 11 0 "[ . 1 . 2]" 3
95 1 20 ALA MB 1 21 PRO HD3 . . 2.780 3.081 3.034 3.133 0.353 3 0 "[ . 1 . 2]" 3
96 1 20 ALA MB 1 21 PRO HD2 . . 3.080 1.926 1.893 1.945 . 0 0 "[ . 1 . 2]" 3
97 1 86 THR HA 1 86 THR MG . . 2.900 2.295 2.024 2.452 . 0 0 "[ . 1 . 2]" 3
98 1 44 THR HB 1 45 PRO HD3 . . 2.880 1.931 1.922 1.936 . 0 0 "[ . 1 . 2]" 3
99 1 13 PRO HG2 1 30 CYS HA . . 3.500 2.513 1.993 2.922 . 0 0 "[ . 1 . 2]" 3
100 1 46 ASP HA 1 49 ALA MB . . 2.860 2.900 2.796 2.998 0.138 12 0 "[ . 1 . 2]" 3
101 1 66 THR HA 1 66 THR MG . . 2.950 2.208 2.013 2.407 . 0 0 "[ . 1 . 2]" 3
102 1 66 THR HA 1 69 ALA MB . . 2.990 2.358 2.186 2.473 . 0 0 "[ . 1 . 2]" 3
103 1 58 ALA HA 1 64 LEU QD . . 3.450 2.614 1.859 3.296 . 0 0 "[ . 1 . 2]" 3
104 1 48 GLN HA 1 51 CYS HB3 . . 3.500 3.354 2.987 3.522 0.022 7 0 "[ . 1 . 2]" 3
105 1 6 THR HA 1 9 ALA MB . . 2.940 2.828 2.428 2.955 0.015 10 0 "[ . 1 . 2]" 3
106 1 20 ALA HA 1 21 PRO HD2 . . 2.730 2.540 2.520 2.552 . 0 0 "[ . 1 . 2]" 3
107 1 73 PRO HD3 1 84 ILE MD . . 3.490 2.836 1.899 3.536 0.046 9 0 "[ . 1 . 2]" 3
108 1 29 PRO HA 1 32 ALA MB . . 2.660 2.780 2.711 2.857 0.197 4 0 "[ . 1 . 2]" 3
109 1 82 TYR QD 1 93 VAL MG1 . . 3.430 2.545 1.968 3.266 . 0 0 "[ . 1 . 2]" 3
110 1 81 PRO HB2 1 93 VAL MG1 . . 3.390 3.077 2.128 3.411 0.021 16 0 "[ . 1 . 2]" 3
111 1 82 TYR QB 1 93 VAL MG1 . . 3.660 3.180 2.052 3.734 0.074 12 0 "[ . 1 . 2]" 3
112 1 15 VAL HA 1 15 VAL MG2 . . 2.800 2.270 2.195 2.341 . 0 0 "[ . 1 . 2]" 3
113 1 48 GLN H 1 48 GLN HB2 . . 3.190 2.191 2.178 2.237 . 0 0 "[ . 1 . 2]" 3
114 1 48 GLN H 1 48 GLN QG . . 3.330 2.926 2.808 3.499 0.169 2 0 "[ . 1 . 2]" 3
115 1 47 ARG HG2 1 48 GLN H . . 3.710 3.259 2.092 4.702 0.992 15 6 "[* .*- 1 +** 2]" 3
116 1 45 PRO HA 1 48 GLN H . . 5.260 3.582 3.405 3.893 . 0 0 "[ . 1 . 2]" 3
117 1 47 ARG HG3 1 48 GLN H . . 4.500 2.959 1.973 3.953 . 0 0 "[ . 1 . 2]" 3
118 1 48 GLN H 1 48 GLN HB3 . . 3.430 3.497 3.487 3.524 0.094 20 0 "[ . 1 . 2]" 3
119 1 47 ARG HB3 1 48 GLN H . . 4.180 3.886 3.799 3.999 . 0 0 "[ . 1 . 2]" 3
120 1 7 VAL MG1 1 54 LEU H . . 4.630 3.646 3.058 4.157 . 0 0 "[ . 1 . 2]" 3
121 1 54 LEU H 1 54 LEU QD . . 4.510 2.517 1.909 3.699 . 0 0 "[ . 1 . 2]" 3
122 1 53 CYS QB 1 54 LEU H . . 3.710 2.527 2.350 2.722 . 0 0 "[ . 1 . 2]" 3
123 1 54 LEU H 1 54 LEU QB . . 3.370 2.282 2.033 2.656 . 0 0 "[ . 1 . 2]" 3
124 1 7 VAL HB 1 8 SER H . . 3.520 2.629 2.463 2.859 . 0 0 "[ . 1 . 2]" 3
125 1 7 VAL MG2 1 8 SER H . . 4.710 3.827 3.637 3.913 . 0 0 "[ . 1 . 2]" 3
126 1 7 VAL MG1 1 8 SER H . . 4.160 3.492 3.337 3.670 . 0 0 "[ . 1 . 2]" 3
127 1 64 LEU H 1 64 LEU QB . . 2.960 2.209 2.101 2.238 . 0 0 "[ . 1 . 2]" 3
128 1 63 LYS HA 1 64 LEU H . . 3.290 2.935 2.900 2.964 . 0 0 "[ . 1 . 2]" 3
129 1 64 LEU H 1 64 LEU HG . . 4.540 4.446 4.073 4.499 . 0 0 "[ . 1 . 2]" 3
130 1 62 PRO HA 1 64 LEU H . . 4.540 3.713 3.650 3.809 . 0 0 "[ . 1 . 2]" 3
131 1 61 ILE MG 1 64 LEU H . . 3.840 2.842 2.707 3.296 . 0 0 "[ . 1 . 2]" 3
132 1 63 LYS H 1 64 LEU H . . 3.460 2.575 2.521 2.646 . 0 0 "[ . 1 . 2]" 3
133 1 71 ALA H 1 71 ALA MB . . 2.500 2.124 2.104 2.152 . 0 0 "[ . 1 . 2]" 3
134 1 71 ALA H 1 72 LEU H . . 2.870 2.344 2.313 2.370 . 0 0 "[ . 1 . 2]" 3
135 1 68 ASN HA 1 71 ALA H . . 3.470 3.239 3.191 3.275 . 0 0 "[ . 1 . 2]" 3
136 1 50 ALA MB 1 51 CYS H . . 3.710 2.383 2.301 2.573 . 0 0 "[ . 1 . 2]" 3
137 1 51 CYS H 1 51 CYS HB2 . . 3.670 2.548 2.243 2.645 . 0 0 "[ . 1 . 2]" 3
138 1 51 CYS H 1 51 CYS HB3 . . 3.680 2.513 2.416 2.878 . 0 0 "[ . 1 . 2]" 3
139 1 72 LEU HA 1 75 LYS H . . 4.840 4.314 4.096 4.634 . 0 0 "[ . 1 . 2]" 3
140 1 75 LYS H 1 75 LYS HG2 . . 3.170 2.643 2.081 3.990 0.820 1 1 "[+ . 1 . 2]" 3
141 1 75 LYS H 1 75 LYS HB2 . . 2.820 2.416 2.209 2.565 . 0 0 "[ . 1 . 2]" 3
142 1 74 GLY QA 1 75 LYS H . . 3.170 2.600 2.456 2.696 . 0 0 "[ . 1 . 2]" 3
143 1 11 LEU H 1 11 LEU HG . . 4.270 3.615 2.424 4.540 0.270 16 0 "[ . 1 . 2]" 3
144 1 11 LEU H 1 12 ALA H . . 3.340 2.426 2.386 2.467 . 0 0 "[ . 1 . 2]" 3
145 1 11 LEU H 1 11 LEU HB3 . . 3.360 3.050 2.190 3.599 0.239 11 0 "[ . 1 . 2]" 3
146 1 11 LEU H 1 11 LEU HB2 . . 3.640 2.510 2.161 3.577 . 0 0 "[ . 1 . 2]" 3
147 1 10 ASP QB 1 11 LEU H . . 3.770 3.128 2.619 3.671 . 0 0 "[ . 1 . 2]" 3
148 1 60 SER QB 1 61 ILE H . . 3.930 3.546 2.621 3.957 0.027 1 0 "[ . 1 . 2]" 3
149 1 61 ILE H 1 61 ILE MD . . 4.180 3.016 1.908 3.608 . 0 0 "[ . 1 . 2]" 3
150 1 61 ILE H 1 61 ILE MG . . 3.970 3.753 3.720 3.792 . 0 0 "[ . 1 . 2]" 3
151 1 18 LEU H 1 18 LEU HB2 . . 2.950 2.333 2.243 2.495 . 0 0 "[ . 1 . 2]" 3
152 1 18 LEU H 1 18 LEU MD2 . . 3.810 3.791 3.549 3.834 0.024 18 0 "[ . 1 . 2]" 3
153 1 17 TYR HB2 1 18 LEU H . . 4.500 4.035 3.937 4.137 . 0 0 "[ . 1 . 2]" 3
154 1 17 TYR QD 1 18 LEU H . . 3.910 3.718 3.150 3.925 0.015 6 0 "[ . 1 . 2]" 3
155 1 15 VAL HA 1 18 LEU H . . 3.690 3.341 3.146 3.559 . 0 0 "[ . 1 . 2]" 3
156 1 18 LEU H 1 18 LEU HB3 . . 3.570 3.559 3.527 3.593 0.023 20 0 "[ . 1 . 2]" 3
157 1 18 LEU H 1 18 LEU MD1 . . 3.670 3.487 3.333 3.653 . 0 0 "[ . 1 . 2]" 3
158 1 17 TYR HB3 1 18 LEU H . . 3.540 2.746 2.592 2.933 . 0 0 "[ . 1 . 2]" 3
159 1 17 TYR H 1 18 LEU H . . 2.750 2.578 2.462 2.723 . 0 0 "[ . 1 . 2]" 3
160 1 18 LEU H 1 18 LEU HG . . 2.960 2.565 2.247 2.737 . 0 0 "[ . 1 . 2]" 3
161 1 15 VAL MG1 1 16 THR H . . 3.590 3.237 2.705 3.509 . 0 0 "[ . 1 . 2]" 3
162 1 16 THR H 1 16 THR MG . . 3.210 1.914 1.901 1.933 . 0 0 "[ . 1 . 2]" 3
163 1 15 VAL MG2 1 16 THR H . . 4.180 3.808 3.682 3.883 . 0 0 "[ . 1 . 2]" 3
164 1 16 THR H 1 16 THR HB . . 3.020 2.632 2.626 2.641 . 0 0 "[ . 1 . 2]" 3
165 1 15 VAL H 1 16 THR H . . 3.270 2.751 2.633 3.026 . 0 0 "[ . 1 . 2]" 3
166 1 15 VAL HB 1 16 THR H . . 3.100 2.448 2.099 2.675 . 0 0 "[ . 1 . 2]" 3
167 1 60 SER H 1 61 ILE H . . 2.880 2.127 1.880 2.427 . 0 0 "[ . 1 . 2]" 3
168 1 57 ALA HA 1 60 SER H . . 3.750 3.756 3.594 3.797 0.047 4 0 "[ . 1 . 2]" 3
169 1 46 ASP H 1 46 ASP HB3 . . 3.510 3.504 3.493 3.532 0.022 10 0 "[ . 1 . 2]" 3
170 1 45 PRO HG3 1 46 ASP H . . 4.040 4.090 4.009 4.206 0.166 18 0 "[ . 1 . 2]" 3
171 1 44 THR MG 1 46 ASP H . . 4.280 4.301 4.253 4.343 0.063 12 0 "[ . 1 . 2]" 3
172 1 45 PRO HG2 1 46 ASP H . . 4.930 2.650 2.543 2.806 . 0 0 "[ . 1 . 2]" 3
173 1 45 PRO HB2 1 46 ASP H . . 3.450 3.544 3.466 3.649 0.199 18 0 "[ . 1 . 2]" 3
174 1 45 PRO HD3 1 46 ASP H . . 4.380 3.862 3.849 3.888 . 0 0 "[ . 1 . 2]" 3
175 1 46 ASP H 1 46 ASP HB2 . . 2.980 2.200 2.183 2.249 . 0 0 "[ . 1 . 2]" 3
176 1 46 ASP H 1 47 ARG H . . 3.050 2.607 2.590 2.629 . 0 0 "[ . 1 . 2]" 3
177 1 45 PRO HB3 1 46 ASP H . . 4.330 4.262 4.217 4.324 . 0 0 "[ . 1 . 2]" 3
178 1 37 LEU H 1 37 LEU HB2 . . 3.070 2.301 2.162 2.596 . 0 0 "[ . 1 . 2]" 3
179 1 36 LYS HB3 1 37 LEU H . . 3.470 3.329 3.010 3.612 0.142 17 0 "[ . 1 . 2]" 3
180 1 35 LYS HA 1 37 LEU H . . 4.790 3.774 3.575 4.107 . 0 0 "[ . 1 . 2]" 3
181 1 36 LYS HB2 1 37 LEU H . . 4.090 3.453 3.007 3.866 . 0 0 "[ . 1 . 2]" 3
182 1 34 VAL HA 1 37 LEU H . . 3.920 3.791 3.515 3.961 0.041 14 0 "[ . 1 . 2]" 3
183 1 37 LEU H 1 37 LEU QD . . 4.030 2.452 1.912 3.240 . 0 0 "[ . 1 . 2]" 3
184 1 43 THR H 1 46 ASP HB3 . . 3.780 2.872 2.849 2.951 . 0 0 "[ . 1 . 2]" 3
185 1 43 THR H 1 43 THR MG . . 3.080 2.377 2.249 2.832 . 0 0 "[ . 1 . 2]" 3
186 1 41 ALA HA 1 43 THR H . . 4.420 4.346 3.794 4.441 0.021 8 0 "[ . 1 . 2]" 3
187 1 43 THR H 1 46 ASP HB2 . . 3.210 1.938 1.918 2.012 . 0 0 "[ . 1 . 2]" 3
188 1 42 THR HB 1 43 THR H . . 4.310 3.061 2.206 4.108 . 0 0 "[ . 1 . 2]" 3
189 1 42 THR H 1 43 THR H . . 2.980 2.208 1.903 2.454 . 0 0 "[ . 1 . 2]" 3
190 1 3 SER H 1 6 THR MG . . 4.640 4.631 4.386 4.661 0.021 10 0 "[ . 1 . 2]" 3
191 1 3 SER H 1 3 SER HB2 . . 3.620 3.167 2.426 3.638 0.018 3 0 "[ . 1 . 2]" 3
192 1 2 LEU HB2 1 3 SER H . . 4.050 4.102 4.060 4.119 0.069 8 0 "[ . 1 . 2]" 3
193 1 2 LEU HA 1 3 SER H . . 2.490 2.162 2.141 2.282 . 0 0 "[ . 1 . 2]" 3
194 1 2 LEU HB3 1 3 SER H . . 4.300 4.268 3.674 4.372 0.072 3 0 "[ . 1 . 2]" 3
195 1 2 LEU MD1 1 3 SER H . . 3.520 2.310 2.096 2.630 . 0 0 "[ . 1 . 2]" 3
196 1 3 SER H 1 3 SER HB3 . . 3.250 2.932 2.523 3.645 0.395 18 0 "[ . 1 . 2]" 3
197 1 2 LEU HG 1 3 SER H . . 3.740 3.354 2.281 3.656 . 0 0 "[ . 1 . 2]" 3
198 1 2 LEU MD2 1 3 SER H . . 5.570 4.540 3.963 4.658 . 0 0 "[ . 1 . 2]" 3
199 1 49 ALA HA 1 52 ASN HD21 . . 4.170 1.972 1.954 2.004 . 0 0 "[ . 1 . 2]" 3
200 1 70 ALA H 1 70 ALA MB . . 2.750 2.058 2.048 2.062 . 0 0 "[ . 1 . 2]" 3
201 1 67 ASN HA 1 70 ALA H . . 3.870 3.716 3.631 3.764 . 0 0 "[ . 1 . 2]" 3
202 1 69 ALA MB 1 70 ALA H . . 3.340 2.949 2.841 2.982 . 0 0 "[ . 1 . 2]" 3
203 1 68 ASN H 1 68 ASN HB2 . . 3.060 2.178 2.169 2.220 . 0 0 "[ . 1 . 2]" 3
204 1 68 ASN H 1 69 ALA H . . 2.900 2.549 2.538 2.583 . 0 0 "[ . 1 . 2]" 3
205 1 67 ASN HB3 1 68 ASN H . . 3.390 2.994 2.526 3.706 0.316 20 0 "[ . 1 . 2]" 3
206 1 68 ASN H 1 68 ASN HB3 . . 3.540 3.488 3.480 3.517 . 0 0 "[ . 1 . 2]" 3
207 1 67 ASN H 1 68 ASN H . . 2.910 2.687 2.660 2.737 . 0 0 "[ . 1 . 2]" 3
208 1 67 ASN HD21 1 68 ASN H . . 3.830 3.828 3.786 3.851 0.021 2 0 "[ . 1 . 2]" 3
209 1 68 ASN H 1 69 ALA MB . . 4.020 4.112 4.100 4.143 0.123 15 0 "[ . 1 . 2]" 3
210 1 67 ASN HB2 1 68 ASN H . . 3.670 3.285 2.550 3.704 0.034 11 0 "[ . 1 . 2]" 3
211 1 65 ASN HB3 1 68 ASN H . . 3.860 2.756 2.628 2.979 . 0 0 "[ . 1 . 2]" 3
212 1 59 GLY H 1 59 GLY HA3 . . 2.950 2.316 2.294 2.321 . 0 0 "[ . 1 . 2]" 3
213 1 56 SER HA 1 59 GLY H . . 4.140 3.647 3.414 4.145 0.005 19 0 "[ . 1 . 2]" 3
214 1 58 ALA MB 1 59 GLY H . . 3.230 2.765 2.537 2.875 . 0 0 "[ . 1 . 2]" 3
215 1 58 ALA H 1 59 GLY H . . 3.310 2.667 2.544 2.763 . 0 0 "[ . 1 . 2]" 3
216 1 80 ILE H 1 80 ILE HG13 . . 3.630 3.144 2.240 3.656 0.026 11 0 "[ . 1 . 2]" 3
217 1 79 SER HB2 1 80 ILE H . . 4.150 3.995 3.706 4.156 0.006 11 0 "[ . 1 . 2]" 3
218 1 80 ILE H 1 80 ILE HG12 . . 3.360 2.419 1.971 3.669 0.309 15 0 "[ . 1 . 2]" 3
219 1 93 VAL H 1 93 VAL MG1 . . 4.480 3.780 3.757 3.807 . 0 0 "[ . 1 . 2]" 3
220 1 93 VAL H 1 93 VAL MG2 . . 3.360 2.211 1.948 2.462 . 0 0 "[ . 1 . 2]" 3
221 1 93 VAL H 1 93 VAL HB . . 3.320 2.554 2.481 2.682 . 0 0 "[ . 1 . 2]" 3
222 1 17 TYR QE 1 25 SER H . . 4.830 4.244 3.478 4.838 0.008 13 0 "[ . 1 . 2]" 3
223 1 17 TYR QD 1 25 SER H . . 4.120 3.659 2.272 4.137 0.017 8 0 "[ . 1 . 2]" 3
224 1 25 SER H 1 25 SER HB3 . . 3.550 3.612 3.549 3.726 0.176 11 0 "[ . 1 . 2]" 3
225 1 24 ALA MB 1 25 SER H . . 2.930 2.512 2.201 2.867 . 0 0 "[ . 1 . 2]" 3
226 1 25 SER H 1 25 SER HB2 . . 3.080 2.498 2.353 2.744 . 0 0 "[ . 1 . 2]" 3
227 1 24 ALA HA 1 25 SER H . . 2.650 2.374 2.208 2.490 . 0 0 "[ . 1 . 2]" 3
228 1 66 THR H 1 66 THR MG . . 2.880 2.469 2.109 2.751 . 0 0 "[ . 1 . 2]" 3
229 1 65 ASN HB2 1 66 THR H . . 4.620 4.634 4.562 4.665 0.045 19 0 "[ . 1 . 2]" 3
230 1 64 LEU QD 1 66 THR H . . 4.070 3.410 1.935 3.886 . 0 0 "[ . 1 . 2]" 3
231 1 66 THR H 1 66 THR HB . . 3.590 3.590 3.566 3.618 0.028 9 0 "[ . 1 . 2]" 3
232 1 65 ASN HA 1 66 THR H . . 2.600 2.253 2.186 2.392 . 0 0 "[ . 1 . 2]" 3
233 1 65 ASN HB3 1 66 THR H . . 5.240 4.335 4.273 4.391 . 0 0 "[ . 1 . 2]" 3
234 1 33 GLY H 1 33 GLY HA3 . . 2.900 2.299 2.297 2.302 . 0 0 "[ . 1 . 2]" 3
235 1 33 GLY H 1 34 VAL H . . 3.010 2.908 2.856 2.964 . 0 0 "[ . 1 . 2]" 3
236 1 32 ALA MB 1 33 GLY H . . 3.120 2.641 2.575 2.718 . 0 0 "[ . 1 . 2]" 3
237 1 30 CYS HA 1 33 GLY H . . 3.860 3.598 3.529 3.653 . 0 0 "[ . 1 . 2]" 3
238 1 56 SER H 1 56 SER QB . . 2.940 2.390 2.190 2.865 . 0 0 "[ . 1 . 2]" 3
239 1 55 LYS QB 1 56 SER H . . 3.270 2.614 2.489 2.874 . 0 0 "[ . 1 . 2]" 3
240 1 55 LYS H 1 56 SER H . . 3.290 2.540 2.453 2.758 . 0 0 "[ . 1 . 2]" 3
241 1 55 LYS QG 1 56 SER H . . 4.930 4.246 4.059 4.499 . 0 0 "[ . 1 . 2]" 3
242 1 56 SER H 1 57 ALA H . . 3.180 2.693 2.570 3.000 . 0 0 "[ . 1 . 2]" 3
243 1 54 LEU H 1 55 LYS H . . 3.420 2.684 2.593 2.784 . 0 0 "[ . 1 . 2]" 3
244 1 55 LYS H 1 55 LYS QB . . 2.930 2.176 2.120 2.205 . 0 0 "[ . 1 . 2]" 3
245 1 52 ASN HA 1 55 LYS H . . 4.100 3.577 3.359 3.654 . 0 0 "[ . 1 . 2]" 3
246 1 69 ALA H 1 70 ALA H . . 3.100 2.626 2.603 2.647 . 0 0 "[ . 1 . 2]" 3
247 1 68 ASN HB2 1 69 ALA H . . 3.500 3.108 3.077 3.145 . 0 0 "[ . 1 . 2]" 3
248 1 66 THR HA 1 69 ALA H . . 3.670 3.293 3.215 3.329 . 0 0 "[ . 1 . 2]" 3
249 1 68 ASN HB3 1 69 ALA H . . 4.050 3.585 3.559 3.659 . 0 0 "[ . 1 . 2]" 3
250 1 18 LEU MD2 1 69 ALA H . . 3.610 3.422 2.984 3.618 0.008 9 0 "[ . 1 . 2]" 3
251 1 69 ALA H 1 69 ALA MB . . 2.740 2.027 2.024 2.030 . 0 0 "[ . 1 . 2]" 3
252 1 24 ALA MB 1 68 ASN HD21 . . 3.830 3.467 2.224 3.872 0.042 16 0 "[ . 1 . 2]" 3
253 1 12 ALA H 1 12 ALA MB . . 2.920 2.053 2.029 2.100 . 0 0 "[ . 1 . 2]" 3
254 1 22 ASN HB2 1 22 ASN HD22 . . 4.030 3.620 3.434 4.087 0.057 9 0 "[ . 1 . 2]" 3
255 1 22 ASN HB3 1 22 ASN HD22 . . 3.950 3.738 3.436 3.962 0.012 4 0 "[ . 1 . 2]" 3
256 1 20 ALA H 1 68 ASN HD21 . . 3.840 3.862 3.688 3.895 0.055 2 0 "[ . 1 . 2]" 3
257 1 20 ALA H 1 20 ALA MB . . 2.770 2.144 2.116 2.169 . 0 0 "[ . 1 . 2]" 3
258 1 19 GLN HB3 1 20 ALA H . . 4.910 4.132 3.745 4.360 . 0 0 "[ . 1 . 2]" 3
259 1 18 LEU HA 1 20 ALA H . . 4.030 3.981 3.656 4.054 0.024 19 0 "[ . 1 . 2]" 3
260 1 17 TYR HA 1 20 ALA H . . 3.960 3.182 3.029 3.587 . 0 0 "[ . 1 . 2]" 3
261 1 19 GLN HB2 1 20 ALA H . . 4.870 3.502 3.057 4.271 . 0 0 "[ . 1 . 2]" 3
262 1 10 ASP H 1 11 LEU H . . 3.220 2.410 2.382 2.468 . 0 0 "[ . 1 . 2]" 3
263 1 7 VAL HA 1 10 ASP H . . 4.680 3.692 3.483 4.015 . 0 0 "[ . 1 . 2]" 3
264 1 9 ALA MB 1 10 ASP H . . 3.180 2.765 2.376 3.053 . 0 0 "[ . 1 . 2]" 3
265 1 10 ASP H 1 10 ASP QB . . 2.960 2.389 2.200 2.701 . 0 0 "[ . 1 . 2]" 3
266 1 78 VAL MG1 1 79 SER H . . 3.820 3.764 3.418 3.839 0.019 11 0 "[ . 1 . 2]" 3
267 1 78 VAL HA 1 79 SER H . . 3.050 2.242 2.177 2.609 . 0 0 "[ . 1 . 2]" 3
268 1 79 SER H 1 79 SER HB2 . . 3.620 3.221 2.795 3.491 . 0 0 "[ . 1 . 2]" 3
269 1 78 VAL MG2 1 79 SER H . . 3.920 3.823 3.217 3.940 0.020 15 0 "[ . 1 . 2]" 3
270 1 79 SER H 1 79 SER HB3 . . 3.740 2.513 2.294 2.936 . 0 0 "[ . 1 . 2]" 3
271 1 78 VAL HB 1 79 SER H . . 3.140 2.860 1.949 3.082 . 0 0 "[ . 1 . 2]" 3
272 1 34 VAL H 1 34 VAL MG2 . . 2.790 2.237 2.088 2.404 . 0 0 "[ . 1 . 2]" 3
273 1 34 VAL H 1 34 VAL HB . . 2.870 2.496 2.453 2.517 . 0 0 "[ . 1 . 2]" 3
274 1 33 GLY HA3 1 34 VAL H . . 3.520 2.764 2.712 2.808 . 0 0 "[ . 1 . 2]" 3
275 1 34 VAL H 1 34 VAL MG1 . . 3.750 3.759 3.750 3.763 0.013 14 0 "[ . 1 . 2]" 3
276 1 89 ASN H 1 89 ASN HB2 . . 3.490 2.458 2.398 2.765 . 0 0 "[ . 1 . 2]" 3
277 1 88 THR HA 1 89 ASN H . . 2.920 2.198 2.153 2.278 . 0 0 "[ . 1 . 2]" 3
278 1 88 THR MG 1 89 ASN H . . 3.620 2.313 1.921 2.636 . 0 0 "[ . 1 . 2]" 3
279 1 89 ASN H 1 89 ASN HB3 . . 3.730 2.802 2.476 2.860 . 0 0 "[ . 1 . 2]" 3
280 1 95 PHE H 1 95 PHE QD . . 3.770 3.015 2.093 3.789 0.019 3 0 "[ . 1 . 2]" 3
281 1 93 VAL MG1 1 95 PHE H . . 4.870 4.379 1.982 4.920 0.050 18 0 "[ . 1 . 2]" 3
282 1 95 PHE H 1 95 PHE HB3 . . 3.960 3.771 3.498 4.054 0.094 19 0 "[ . 1 . 2]" 3
283 1 94 ARG HA 1 95 PHE H . . 2.780 2.488 2.140 2.974 0.194 9 0 "[ . 1 . 2]" 3
284 1 94 ARG HB3 1 95 PHE H . . 4.240 2.770 1.939 4.311 0.071 3 0 "[ . 1 . 2]" 3
285 1 95 PHE H 1 95 PHE HB2 . . 3.150 2.796 2.195 3.244 0.094 16 0 "[ . 1 . 2]" 3
286 1 94 ARG HB2 1 95 PHE H . . 4.910 3.796 3.056 4.557 . 0 0 "[ . 1 . 2]" 3
287 1 44 THR H 1 45 PRO HD2 . . 4.590 1.925 1.911 1.948 . 0 0 "[ . 1 . 2]" 3
288 1 44 THR H 1 45 PRO HD3 . . 4.860 2.987 2.975 3.002 . 0 0 "[ . 1 . 2]" 3
289 1 44 THR H 1 44 THR HB . . 4.190 2.215 2.211 2.224 . 0 0 "[ . 1 . 2]" 3
290 1 43 THR HB 1 44 THR H . . 4.010 2.169 2.115 2.292 . 0 0 "[ . 1 . 2]" 3
291 1 15 VAL MG1 1 19 GLN HE22 . . 4.730 3.408 2.340 4.691 . 0 0 "[ . 1 . 2]" 3
292 1 19 GLN HE22 1 61 ILE MG . . 4.170 3.549 1.861 4.246 0.076 3 0 "[ . 1 . 2]" 3
293 1 15 VAL MG1 1 19 GLN HE21 . . 4.030 2.625 1.850 3.969 . 0 0 "[ . 1 . 2]" 3
294 1 19 GLN HE21 1 61 ILE MG . . 4.230 3.053 2.061 4.025 . 0 0 "[ . 1 . 2]" 3
295 1 14 CYS H 1 18 LEU MD1 . . 4.720 4.682 4.222 4.735 0.015 12 0 "[ . 1 . 2]" 3
296 1 13 PRO QD 1 14 CYS H . . 4.150 2.791 2.777 2.823 . 0 0 "[ . 1 . 2]" 3
297 1 12 ALA HA 1 14 CYS H . . 4.960 3.886 3.834 3.907 . 0 0 "[ . 1 . 2]" 3
298 1 14 CYS H 1 14 CYS HB2 . . 3.230 2.444 2.260 2.578 . 0 0 "[ . 1 . 2]" 3
299 1 14 CYS H 1 15 VAL MG2 . . 4.130 3.486 3.332 3.594 . 0 0 "[ . 1 . 2]" 3
300 1 14 CYS H 1 14 CYS HB3 . . 3.930 3.632 3.522 3.695 . 0 0 "[ . 1 . 2]" 3
301 1 11 LEU HA 1 14 CYS H . . 4.840 3.240 3.199 3.283 . 0 0 "[ . 1 . 2]" 3
302 1 12 ALA MB 1 14 CYS H . . 4.370 4.020 4.013 4.027 . 0 0 "[ . 1 . 2]" 3
303 1 37 LEU HB2 1 38 LEU H . . 3.410 2.968 2.789 3.300 . 0 0 "[ . 1 . 2]" 3
304 1 38 LEU H 1 38 LEU MD2 . . 4.530 3.450 1.913 3.923 . 0 0 "[ . 1 . 2]" 3
305 1 35 LYS HA 1 38 LEU H . . 4.250 3.880 3.716 4.053 . 0 0 "[ . 1 . 2]" 3
306 1 38 LEU H 1 38 LEU MD1 . . 4.120 3.149 1.961 3.940 . 0 0 "[ . 1 . 2]" 3
307 1 38 LEU H 1 38 LEU HB3 . . 3.960 3.549 3.502 3.588 . 0 0 "[ . 1 . 2]" 3
308 1 37 LEU QD 1 38 LEU H . . 4.990 4.030 3.897 4.244 . 0 0 "[ . 1 . 2]" 3
309 1 31 CYS HB3 1 32 ALA H . . 4.090 3.375 3.168 3.709 . 0 0 "[ . 1 . 2]" 3
310 1 32 ALA H 1 33 GLY H . . 3.050 2.851 2.783 2.888 . 0 0 "[ . 1 . 2]" 3
311 1 32 ALA H 1 32 ALA MB . . 2.600 2.064 2.033 2.086 . 0 0 "[ . 1 . 2]" 3
312 1 31 CYS HB2 1 32 ALA H . . 3.480 2.725 2.504 2.864 . 0 0 "[ . 1 . 2]" 3
313 1 6 THR MG 1 7 VAL H . . 3.890 3.705 3.541 3.817 . 0 0 "[ . 1 . 2]" 3
314 1 7 VAL H 1 8 SER H . . 3.190 2.707 2.636 2.785 . 0 0 "[ . 1 . 2]" 3
315 1 7 VAL H 1 7 VAL HB . . 2.930 2.550 2.520 2.671 . 0 0 "[ . 1 . 2]" 3
316 1 6 THR HB 1 7 VAL H . . 3.100 2.946 2.778 3.082 . 0 0 "[ . 1 . 2]" 3
317 1 7 VAL H 1 7 VAL MG2 . . 2.780 2.076 1.966 2.208 . 0 0 "[ . 1 . 2]" 3
318 1 6 THR H 1 7 VAL H . . 3.000 2.182 2.031 2.319 . 0 0 "[ . 1 . 2]" 3
319 1 4 CYS HA 1 7 VAL H . . 3.860 2.914 2.808 3.074 . 0 0 "[ . 1 . 2]" 3
320 1 7 VAL H 1 7 VAL MG1 . . 3.670 3.763 3.758 3.764 0.094 8 0 "[ . 1 . 2]" 3
321 1 53 CYS H 1 53 CYS QB . . 3.320 2.427 2.161 2.542 . 0 0 "[ . 1 . 2]" 3
322 1 52 ASN HB3 1 53 CYS H . . 4.470 3.492 3.277 3.644 . 0 0 "[ . 1 . 2]" 3
323 1 50 ALA HA 1 53 CYS H . . 4.340 3.389 3.352 3.441 . 0 0 "[ . 1 . 2]" 3
324 1 52 ASN HB2 1 53 CYS H . . 4.010 2.870 2.688 3.016 . 0 0 "[ . 1 . 2]" 3
325 1 18 LEU H 1 19 GLN H . . 3.260 2.606 2.541 2.733 . 0 0 "[ . 1 . 2]" 3
326 1 16 THR HA 1 19 GLN H . . 3.850 3.665 3.364 3.828 . 0 0 "[ . 1 . 2]" 3
327 1 19 GLN H 1 19 GLN HG2 . . 3.280 2.874 1.956 3.892 0.612 7 4 "[ *. + 1 - *2]" 3
328 1 19 GLN H 1 19 GLN HG3 . . 3.880 3.290 2.457 4.148 0.268 14 0 "[ . 1 . 2]" 3
329 1 19 GLN H 1 20 ALA MB . . 4.040 3.793 3.649 3.994 . 0 0 "[ . 1 . 2]" 3
330 1 72 LEU H 1 73 PRO HD2 . . 3.480 2.155 2.074 2.220 . 0 0 "[ . 1 . 2]" 3
331 1 72 LEU H 1 72 LEU HB2 . . 2.950 2.640 2.123 2.879 . 0 0 "[ . 1 . 2]" 3
332 1 71 ALA MB 1 72 LEU H . . 3.210 3.133 3.001 3.213 0.003 16 0 "[ . 1 . 2]" 3
333 1 72 LEU H 1 73 PRO HD3 . . 3.380 3.143 3.035 3.232 . 0 0 "[ . 1 . 2]" 3
334 1 72 LEU H 1 72 LEU HB3 . . 3.010 2.431 2.190 3.004 . 0 0 "[ . 1 . 2]" 3
335 1 41 ALA H 1 41 ALA MB . . 3.270 2.175 2.055 2.255 . 0 0 "[ . 1 . 2]" 3
336 1 40 ALA MB 1 41 ALA H . . 3.800 2.380 1.912 2.763 . 0 0 "[ . 1 . 2]" 3
337 1 65 ASN HD21 1 68 ASN HA . . 4.370 4.150 3.477 4.384 0.014 5 0 "[ . 1 . 2]" 3
338 1 65 ASN HD21 1 68 ASN HD22 . . 4.660 3.618 2.892 4.439 . 0 0 "[ . 1 . 2]" 3
339 1 17 TYR QE 1 24 ALA H . . 4.310 4.112 3.631 4.334 0.024 11 0 "[ . 1 . 2]" 3
340 1 17 TYR QD 1 24 ALA H . . 4.910 4.917 4.773 4.999 0.089 16 0 "[ . 1 . 2]" 3
341 1 24 ALA H 1 24 ALA MB . . 2.570 2.211 2.083 2.274 . 0 0 "[ . 1 . 2]" 3
342 1 23 ASN HB2 1 24 ALA H . . 4.170 3.771 3.051 4.499 0.329 13 0 "[ . 1 . 2]" 3
343 1 23 ASN H 1 24 ALA H . . 2.920 2.523 2.357 2.929 0.009 3 0 "[ . 1 . 2]" 3
344 1 24 ALA H 1 68 ASN HD22 . . 3.800 3.775 3.465 3.864 0.064 2 0 "[ . 1 . 2]" 3
345 1 23 ASN HA 1 24 ALA H . . 3.390 3.319 2.882 3.461 0.071 17 0 "[ . 1 . 2]" 3
346 1 23 ASN HB3 1 24 ALA H . . 4.500 3.830 3.036 4.389 . 0 0 "[ . 1 . 2]" 3
347 1 22 ASN HA 1 24 ALA H . . 4.500 3.657 3.388 3.867 . 0 0 "[ . 1 . 2]" 3
348 1 91 ASN H 1 92 THR H . . 3.070 2.580 2.546 2.615 . 0 0 "[ . 1 . 2]" 3
349 1 90 CYS H 1 91 ASN H . . 3.400 2.636 2.502 2.708 . 0 0 "[ . 1 . 2]" 3
350 1 80 ILE HG13 1 82 TYR H . . 3.670 3.333 3.034 4.558 0.888 15 1 "[ . 1 + 2]" 3
351 1 80 ILE MG 1 82 TYR H . . 4.020 3.989 3.903 4.054 0.034 12 0 "[ . 1 . 2]" 3
352 1 80 ILE MD 1 82 TYR H . . 4.500 3.815 2.150 4.533 0.033 3 0 "[ . 1 . 2]" 3
353 1 80 ILE HG12 1 82 TYR H . . 4.660 3.869 3.106 4.680 0.020 12 0 "[ . 1 . 2]" 3
354 1 81 PRO HD2 1 82 TYR H . . 4.360 2.764 2.672 2.838 . 0 0 "[ . 1 . 2]" 3
355 1 82 TYR H 1 82 TYR QB . . 3.840 3.012 2.739 3.298 . 0 0 "[ . 1 . 2]" 3
356 1 80 ILE HB 1 82 TYR H . . 4.020 2.309 2.210 2.392 . 0 0 "[ . 1 . 2]" 3
357 1 37 LEU HA 1 40 ALA H . . 4.440 3.110 2.895 3.342 . 0 0 "[ . 1 . 2]" 3
358 1 39 ALA MB 1 40 ALA H . . 4.550 3.217 3.010 3.396 . 0 0 "[ . 1 . 2]" 3
359 1 40 ALA H 1 40 ALA MB . . 2.980 2.224 2.161 2.293 . 0 0 "[ . 1 . 2]" 3
360 1 39 ALA H 1 40 ALA H . . 3.510 2.415 2.335 2.544 . 0 0 "[ . 1 . 2]" 3
361 1 48 GLN HB2 1 49 ALA H . . 3.270 2.917 2.752 3.043 . 0 0 "[ . 1 . 2]" 3
362 1 49 ALA H 1 49 ALA MB . . 2.650 2.042 2.030 2.070 . 0 0 "[ . 1 . 2]" 3
363 1 46 ASP HA 1 49 ALA H . . 4.040 3.380 3.261 3.468 . 0 0 "[ . 1 . 2]" 3
364 1 48 GLN HB3 1 49 ALA H . . 3.430 3.396 3.202 3.509 0.079 9 0 "[ . 1 . 2]" 3
365 1 49 ALA H 1 50 ALA H . . 3.060 2.826 2.796 2.913 . 0 0 "[ . 1 . 2]" 3
366 1 92 THR H 1 92 THR MG . . 3.650 2.428 2.225 2.605 . 0 0 "[ . 1 . 2]" 3
367 1 92 THR H 1 93 VAL H . . 3.330 2.482 2.124 2.766 . 0 0 "[ . 1 . 2]" 3
368 1 92 THR H 1 93 VAL MG2 . . 4.730 3.323 3.176 3.572 . 0 0 "[ . 1 . 2]" 3
369 1 91 ASN HB3 1 92 THR H . . 4.400 3.511 2.989 4.223 . 0 0 "[ . 1 . 2]" 3
370 1 21 PRO HB2 1 23 ASN H . . 3.530 2.275 2.169 2.503 . 0 0 "[ . 1 . 2]" 3
371 1 22 ASN HB2 1 23 ASN H . . 3.790 3.244 3.090 3.364 . 0 0 "[ . 1 . 2]" 3
372 1 23 ASN H 1 24 ALA MB . . 4.780 4.106 3.907 4.393 . 0 0 "[ . 1 . 2]" 3
373 1 21 PRO HB3 1 23 ASN H . . 4.610 3.990 3.902 4.190 . 0 0 "[ . 1 . 2]" 3
374 1 22 ASN H 1 23 ASN H . . 3.490 2.617 2.586 2.673 . 0 0 "[ . 1 . 2]" 3
375 1 23 ASN H 1 23 ASN HB3 . . 3.590 3.144 2.569 3.581 . 0 0 "[ . 1 . 2]" 3
376 1 22 ASN HA 1 23 ASN H . . 3.530 3.412 3.387 3.476 . 0 0 "[ . 1 . 2]" 3
377 1 35 LYS QD 1 36 LYS H . . 4.320 4.325 3.887 4.442 0.122 4 0 "[ . 1 . 2]" 3
378 1 36 LYS H 1 36 LYS HB3 . . 3.560 3.203 2.894 3.487 . 0 0 "[ . 1 . 2]" 3
379 1 36 LYS H 1 36 LYS HG3 . . 4.100 3.914 2.979 4.422 0.322 19 0 "[ . 1 . 2]" 3
380 1 36 LYS H 1 36 LYS HB2 . . 3.120 2.181 2.163 2.213 . 0 0 "[ . 1 . 2]" 3
381 1 35 LYS QB 1 36 LYS H . . 3.290 2.878 2.738 3.035 . 0 0 "[ . 1 . 2]" 3
382 1 35 LYS H 1 36 LYS H . . 2.870 2.540 2.497 2.599 . 0 0 "[ . 1 . 2]" 3
383 1 2 LEU H 1 3 SER H . . 4.310 4.453 4.314 4.481 0.171 17 0 "[ . 1 . 2]" 3
384 1 2 LEU H 1 2 LEU HB2 . . 3.230 2.975 2.922 3.260 0.030 18 0 "[ . 1 . 2]" 3
385 1 1 ALA HA 1 2 LEU H . . 2.860 2.419 2.142 2.862 0.002 6 0 "[ . 1 . 2]" 3
386 1 2 LEU H 1 2 LEU HB3 . . 3.290 2.377 2.261 3.052 . 0 0 "[ . 1 . 2]" 3
387 1 78 VAL H 1 78 VAL MG1 . . 3.620 2.802 2.560 3.126 . 0 0 "[ . 1 . 2]" 3
388 1 77 GLY HA3 1 78 VAL H . . 3.460 3.363 3.192 3.532 0.072 15 0 "[ . 1 . 2]" 3
389 1 78 VAL H 1 78 VAL MG2 . . 3.060 1.982 1.905 2.112 . 0 0 "[ . 1 . 2]" 3
390 1 78 VAL H 1 78 VAL HB . . 3.640 3.678 3.635 3.732 0.092 7 0 "[ . 1 . 2]" 3
391 1 76 CYS HB2 1 78 VAL H . . 4.910 3.131 2.939 3.725 . 0 0 "[ . 1 . 2]" 3
392 1 64 LEU QB 1 65 ASN H . . 4.770 3.680 3.364 3.888 . 0 0 "[ . 1 . 2]" 3
393 1 65 ASN H 1 65 ASN HB2 . . 3.410 2.623 2.425 2.797 . 0 0 "[ . 1 . 2]" 3
394 1 64 LEU HA 1 65 ASN H . . 2.720 2.173 2.140 2.305 . 0 0 "[ . 1 . 2]" 3
395 1 19 GLN HA 1 65 ASN H . . 4.090 3.825 2.924 4.109 0.019 2 0 "[ . 1 . 2]" 3
396 1 64 LEU HG 1 65 ASN H . . 3.630 2.951 2.363 3.952 0.322 20 0 "[ . 1 . 2]" 3
397 1 65 ASN H 1 65 ASN HB3 . . 3.250 2.833 2.700 2.943 . 0 0 "[ . 1 . 2]" 3
398 1 31 CYS H 1 31 CYS HB3 . . 3.550 3.540 3.507 3.591 0.041 1 0 "[ . 1 . 2]" 3
399 1 30 CYS HB2 1 31 CYS H . . 3.740 3.858 3.814 3.891 0.151 13 0 "[ . 1 . 2]" 3
400 1 31 CYS H 1 32 ALA H . . 3.050 2.803 2.750 2.881 . 0 0 "[ . 1 . 2]" 3
401 1 31 CYS H 1 32 ALA MB . . 4.300 4.325 4.287 4.391 0.091 16 0 "[ . 1 . 2]" 3
402 1 31 CYS H 1 31 CYS HB2 . . 2.960 2.321 2.204 2.641 . 0 0 "[ . 1 . 2]" 3
403 1 30 CYS HB3 1 31 CYS H . . 3.110 2.462 2.397 2.507 . 0 0 "[ . 1 . 2]" 3
404 1 29 PRO HD2 1 31 CYS H . . 4.510 4.652 4.590 4.714 0.204 15 0 "[ . 1 . 2]" 3
405 1 30 CYS H 1 31 CYS H . . 2.850 2.629 2.582 2.706 . 0 0 "[ . 1 . 2]" 3
406 1 30 CYS HA 1 31 CYS H . . 3.480 3.561 3.550 3.569 0.089 16 0 "[ . 1 . 2]" 3
407 1 49 ALA MB 1 50 ALA H . . 3.110 2.742 2.575 2.844 . 0 0 "[ . 1 . 2]" 3
408 1 50 ALA H 1 51 CYS H . . 3.590 2.799 2.667 2.892 . 0 0 "[ . 1 . 2]" 3
409 1 50 ALA H 1 50 ALA MB . . 2.800 2.172 2.026 2.237 . 0 0 "[ . 1 . 2]" 3
410 1 2 LEU MD2 1 50 ALA H . . 3.800 3.224 2.659 3.793 . 0 0 "[ . 1 . 2]" 3
411 1 17 TYR H 1 17 TYR HB2 . . 3.170 2.774 2.681 2.889 . 0 0 "[ . 1 . 2]" 3
412 1 17 TYR H 1 17 TYR QD . . 4.140 4.146 4.025 4.191 0.051 16 0 "[ . 1 . 2]" 3
413 1 15 VAL MG1 1 17 TYR H . . 5.300 4.889 4.664 4.972 . 0 0 "[ . 1 . 2]" 3
414 1 17 TYR H 1 17 TYR HB3 . . 2.940 2.331 2.241 2.394 . 0 0 "[ . 1 . 2]" 3
415 1 16 THR MG 1 17 TYR H . . 4.140 1.963 1.926 2.005 . 0 0 "[ . 1 . 2]" 3
416 1 93 VAL MG1 1 94 ARG H . . 3.630 2.292 1.997 3.237 . 0 0 "[ . 1 . 2]" 3
417 1 94 ARG H 1 94 ARG HG2 . . 4.110 3.368 2.229 4.205 0.095 11 0 "[ . 1 . 2]" 3
418 1 93 VAL HA 1 94 ARG H . . 2.920 2.214 2.146 2.326 . 0 0 "[ . 1 . 2]" 3
419 1 94 ARG H 1 94 ARG HG3 . . 4.810 3.238 2.364 4.114 . 0 0 "[ . 1 . 2]" 3
420 1 94 ARG H 1 94 ARG HB3 . . 3.840 3.557 3.488 3.614 . 0 0 "[ . 1 . 2]" 3
421 1 94 ARG H 1 94 ARG HB2 . . 3.510 2.329 2.184 2.520 . 0 0 "[ . 1 . 2]" 3
422 1 6 THR H 1 6 THR MG . . 4.100 3.798 3.780 3.823 . 0 0 "[ . 1 . 2]" 3
423 1 6 THR H 1 6 THR HB . . 3.220 2.516 2.483 2.577 . 0 0 "[ . 1 . 2]" 3
424 1 5 GLY HA3 1 6 THR H . . 3.560 2.990 2.946 3.053 . 0 0 "[ . 1 . 2]" 3
425 1 5 GLY H 1 6 THR H . . 4.540 2.779 2.719 2.814 . 0 0 "[ . 1 . 2]" 3
426 1 87 SER H 1 87 SER HB3 . . 3.480 2.874 2.385 3.644 0.164 20 0 "[ . 1 . 2]" 3
427 1 86 THR MG 1 87 SER H . . 4.780 4.046 3.826 4.292 . 0 0 "[ . 1 . 2]" 3
428 1 87 SER H 1 87 SER HB2 . . 3.780 3.228 2.392 3.698 . 0 0 "[ . 1 . 2]" 3
429 1 86 THR H 1 87 SER H . . 3.450 2.580 2.512 2.620 . 0 0 "[ . 1 . 2]" 3
430 1 87 SER H 1 88 THR H . . 3.200 2.354 2.096 2.739 . 0 0 "[ . 1 . 2]" 3
431 1 82 TYR QD 1 83 LYS H . . 4.340 2.957 2.335 4.033 . 0 0 "[ . 1 . 2]" 3
432 1 82 TYR QB 1 83 LYS H . . 3.070 2.251 1.924 2.946 . 0 0 "[ . 1 . 2]" 3
433 1 83 LYS H 1 83 LYS HG3 . . 3.870 3.602 2.209 4.569 0.699 8 2 "[- . + 1 . 2]" 3
434 1 82 TYR HA 1 83 LYS H . . 3.490 2.523 2.201 2.715 . 0 0 "[ . 1 . 2]" 3
435 1 66 THR MG 1 67 ASN H . . 4.250 4.121 3.811 4.216 . 0 0 "[ . 1 . 2]" 3
436 1 66 THR H 1 67 ASN H . . 2.980 2.763 2.656 2.805 . 0 0 "[ . 1 . 2]" 3
437 1 66 THR HB 1 67 ASN H . . 4.080 3.692 3.542 3.971 . 0 0 "[ . 1 . 2]" 3
438 1 65 ASN HA 1 67 ASN H . . 4.480 3.421 3.244 3.563 . 0 0 "[ . 1 . 2]" 3
439 1 67 ASN H 1 67 ASN HD21 . . 5.410 3.724 1.897 4.747 . 0 0 "[ . 1 . 2]" 3
440 1 55 LYS QB 1 58 ALA H . . 4.970 4.984 4.888 5.035 0.065 20 0 "[ . 1 . 2]" 3
441 1 57 ALA MB 1 58 ALA H . . 3.260 2.855 2.688 3.115 . 0 0 "[ . 1 . 2]" 3
442 1 58 ALA H 1 58 ALA MB . . 2.960 2.093 2.025 2.216 . 0 0 "[ . 1 . 2]" 3
443 1 55 LYS HA 1 58 ALA H . . 4.250 3.760 3.540 3.933 . 0 0 "[ . 1 . 2]" 3
444 1 8 SER H 1 9 ALA H . . 3.390 2.684 2.588 2.808 . 0 0 "[ . 1 . 2]" 3
445 1 9 ALA H 1 10 ASP H . . 3.210 2.734 2.643 2.859 . 0 0 "[ . 1 . 2]" 3
446 1 9 ALA H 1 9 ALA MB . . 2.750 2.071 2.023 2.142 . 0 0 "[ . 1 . 2]" 3
447 1 6 THR HA 1 9 ALA H . . 4.000 3.457 3.352 3.574 . 0 0 "[ . 1 . 2]" 3
448 1 29 PRO HD3 1 30 CYS H . . 4.520 3.929 3.787 4.060 . 0 0 "[ . 1 . 2]" 3
449 1 30 CYS H 1 30 CYS HB2 . . 3.280 2.769 2.638 2.945 . 0 0 "[ . 1 . 2]" 3
450 1 29 PRO HB3 1 30 CYS H . . 3.900 4.126 4.042 4.164 0.264 6 0 "[ . 1 . 2]" 3
451 1 30 CYS H 1 30 CYS HB3 . . 2.960 2.347 2.214 2.457 . 0 0 "[ . 1 . 2]" 3
452 1 29 PRO HD2 1 30 CYS H . . 3.350 2.695 2.452 2.928 . 0 0 "[ . 1 . 2]" 3
453 1 27 PRO HG2 1 30 CYS H . . 3.410 3.044 2.500 3.481 0.071 16 0 "[ . 1 . 2]" 3
454 1 22 ASN H 1 22 ASN HB2 . . 3.070 2.428 2.184 2.787 . 0 0 "[ . 1 . 2]" 3
455 1 22 ASN H 1 22 ASN HB3 . . 3.490 3.526 3.493 3.566 0.076 10 0 "[ . 1 . 2]" 3
456 1 21 PRO HA 1 22 ASN H . . 2.830 2.499 2.407 2.683 . 0 0 "[ . 1 . 2]" 3
457 1 21 PRO HB3 1 22 ASN H . . 3.360 3.349 3.174 3.444 0.084 8 0 "[ . 1 . 2]" 3
458 1 46 ASP HB3 1 47 ARG H . . 4.570 3.612 3.490 3.798 . 0 0 "[ . 1 . 2]" 3
459 1 47 ARG H 1 47 ARG HG2 . . 3.210 2.698 2.267 3.419 0.209 10 0 "[ . 1 . 2]" 3
460 1 47 ARG H 1 47 ARG HB2 . . 3.880 3.328 2.761 3.585 . 0 0 "[ . 1 . 2]" 3
461 1 47 ARG H 1 47 ARG HG3 . . 3.770 2.991 1.941 3.857 0.087 3 0 "[ . 1 . 2]" 3
462 1 46 ASP HB2 1 47 ARG H . . 3.560 3.102 2.991 3.283 . 0 0 "[ . 1 . 2]" 3
463 1 47 ARG H 1 47 ARG HB3 . . 3.230 2.718 2.299 3.566 0.336 16 0 "[ . 1 . 2]" 3
464 1 39 ALA H 1 39 ALA MB . . 3.120 2.156 2.099 2.291 . 0 0 "[ . 1 . 2]" 3
465 1 38 LEU HB2 1 39 ALA H . . 4.020 2.519 2.318 2.927 . 0 0 "[ . 1 . 2]" 3
466 1 36 LYS HA 1 39 ALA H . . 4.580 3.549 3.333 3.924 . 0 0 "[ . 1 . 2]" 3
467 1 38 LEU HB3 1 39 ALA H . . 4.640 3.221 2.989 3.479 . 0 0 "[ . 1 . 2]" 3
468 1 75 LYS H 1 76 CYS H . . 2.890 2.617 2.489 2.743 . 0 0 "[ . 1 . 2]" 3
469 1 76 CYS H 1 76 CYS HB3 . . 3.440 3.498 3.478 3.536 0.096 5 0 "[ . 1 . 2]" 3
470 1 75 LYS HB2 1 76 CYS H . . 3.410 2.963 2.864 3.120 . 0 0 "[ . 1 . 2]" 3
471 1 76 CYS H 1 76 CYS HB2 . . 2.780 2.204 2.174 2.257 . 0 0 "[ . 1 . 2]" 3
472 1 34 VAL MG2 1 35 LYS H . . 4.680 3.877 3.847 3.932 . 0 0 "[ . 1 . 2]" 3
473 1 34 VAL HB 1 35 LYS H . . 3.410 2.523 2.456 2.641 . 0 0 "[ . 1 . 2]" 3
474 1 35 LYS H 1 35 LYS HG2 . . 4.980 3.765 3.581 4.124 . 0 0 "[ . 1 . 2]" 3
475 1 35 LYS H 1 35 LYS QB . . 2.980 2.444 2.237 2.530 . 0 0 "[ . 1 . 2]" 3
476 1 34 VAL MG1 1 35 LYS H . . 3.960 3.186 3.135 3.253 . 0 0 "[ . 1 . 2]" 3
477 1 35 LYS H 1 35 LYS HG3 . . 3.280 2.533 2.069 3.474 0.194 16 0 "[ . 1 . 2]" 3
478 1 32 ALA HA 1 35 LYS H . . 4.490 3.508 3.419 3.574 . 0 0 "[ . 1 . 2]" 3
479 1 15 VAL H 1 18 LEU MD1 . . 4.460 3.921 3.559 4.365 . 0 0 "[ . 1 . 2]" 3
480 1 12 ALA HA 1 15 VAL H . . 4.130 3.731 3.660 3.922 . 0 0 "[ . 1 . 2]" 3
481 1 14 CYS HB2 1 15 VAL H . . 4.720 3.347 3.113 3.965 . 0 0 "[ . 1 . 2]" 3
482 1 14 CYS H 1 15 VAL H . . 3.030 2.185 2.155 2.296 . 0 0 "[ . 1 . 2]" 3
483 1 14 CYS HB3 1 15 VAL H . . 5.060 4.093 3.902 4.286 . 0 0 "[ . 1 . 2]" 3
484 1 15 VAL H 1 15 VAL HB . . 2.810 2.501 2.352 2.568 . 0 0 "[ . 1 . 2]" 3
485 1 73 PRO HB2 1 74 GLY H . . 2.990 2.898 2.883 2.979 . 0 0 "[ . 1 . 2]" 3
486 1 73 PRO HG3 1 74 GLY H . . 3.590 3.544 3.534 3.597 0.007 1 0 "[ . 1 . 2]" 3
487 1 73 PRO HB3 1 74 GLY H . . 3.770 3.891 3.882 3.938 0.168 1 0 "[ . 1 . 2]" 3
488 1 74 GLY H 1 74 GLY QA . . 2.620 2.191 2.189 2.194 . 0 0 "[ . 1 . 2]" 3
489 1 4 CYS H 1 4 CYS HB2 . . 4.100 2.390 2.183 2.532 . 0 0 "[ . 1 . 2]" 3
490 1 90 CYS H 1 90 CYS HB3 . . 3.660 2.776 2.419 2.930 . 0 0 "[ . 1 . 2]" 3
491 1 85 SER HA 1 86 THR H . . 3.490 2.263 2.163 2.404 . 0 0 "[ . 1 . 2]" 3
492 1 86 THR H 1 86 THR MG . . 3.600 2.339 1.939 2.873 . 0 0 "[ . 1 . 2]" 3
493 1 56 SER QB 1 57 ALA H . . 3.140 2.454 2.062 3.247 0.107 10 0 "[ . 1 . 2]" 3
494 1 57 ALA H 1 57 ALA MB . . 2.850 2.151 2.040 2.233 . 0 0 "[ . 1 . 2]" 3
495 1 85 SER HB2 1 88 THR H . . 4.580 3.309 2.210 4.317 . 0 0 "[ . 1 . 2]" 3
496 1 88 THR H 1 88 THR HB . . 3.200 2.486 2.405 2.674 . 0 0 "[ . 1 . 2]" 3
497 1 76 CYS HB3 1 77 GLY H . . 4.950 3.778 3.572 4.176 . 0 0 "[ . 1 . 2]" 3
498 1 77 GLY H 1 77 GLY HA3 . . 2.720 2.895 2.763 2.935 0.215 6 0 "[ . 1 . 2]" 3
499 1 77 GLY H 1 78 VAL MG2 . . 4.330 3.669 3.502 3.917 . 0 0 "[ . 1 . 2]" 3
500 1 77 GLY H 1 78 VAL H . . 2.830 2.452 2.307 2.838 0.008 15 0 "[ . 1 . 2]" 3
501 1 76 CYS HB2 1 77 GLY H . . 4.240 3.283 3.079 3.882 . 0 0 "[ . 1 . 2]" 3
502 1 76 CYS H 1 77 GLY H . . 2.880 2.435 2.240 2.525 . 0 0 "[ . 1 . 2]" 3
503 1 75 LYS HA 1 77 GLY H . . 4.150 3.897 3.514 4.158 0.008 6 0 "[ . 1 . 2]" 3
504 1 62 PRO HB2 1 63 LYS H . . 4.120 3.707 3.636 3.783 . 0 0 "[ . 1 . 2]" 3
505 1 63 LYS H 1 63 LYS QG . . 3.360 2.855 2.760 3.006 . 0 0 "[ . 1 . 2]" 3
506 1 62 PRO HA 1 63 LYS H . . 2.900 2.153 2.150 2.159 . 0 0 "[ . 1 . 2]" 3
507 1 61 ILE MG 1 63 LYS H . . 4.220 4.312 4.273 4.419 0.199 20 0 "[ . 1 . 2]" 3
508 1 51 CYS H 1 52 ASN H . . 3.580 2.636 2.567 2.701 . 0 0 "[ . 1 . 2]" 3
509 1 52 ASN H 1 52 ASN HB3 . . 3.670 3.526 3.509 3.554 . 0 0 "[ . 1 . 2]" 3
510 1 49 ALA HA 1 52 ASN H . . 3.750 3.443 3.357 3.586 . 0 0 "[ . 1 . 2]" 3
511 1 52 ASN H 1 53 CYS H . . 3.440 2.415 2.308 2.532 . 0 0 "[ . 1 . 2]" 3
512 1 51 CYS HB2 1 52 ASN H . . 4.430 4.146 3.965 4.170 . 0 0 "[ . 1 . 2]" 3
513 1 51 CYS HB3 1 52 ASN H . . 3.320 3.101 2.990 3.332 0.012 12 0 "[ . 1 . 2]" 3
514 1 52 ASN H 1 52 ASN HB2 . . 2.930 2.235 2.209 2.278 . 0 0 "[ . 1 . 2]" 3
515 1 17 TYR QE 1 72 LEU H . . 4.110 3.334 2.675 3.936 . 0 0 "[ . 1 . 2]" 3
516 1 69 ALA HA 1 72 LEU H . . 3.980 3.347 3.290 3.440 . 0 0 "[ . 1 . 2]" 3
517 1 72 LEU H 1 72 LEU HG . . 4.960 4.284 4.071 4.616 . 0 0 "[ . 1 . 2]" 3
518 1 18 LEU HB2 1 65 ASN H . . 4.600 4.578 4.424 4.631 0.031 2 0 "[ . 1 . 2]" 3
519 1 18 LEU HB3 1 65 ASN H . . 4.710 3.045 2.855 3.342 . 0 0 "[ . 1 . 2]" 3
520 1 65 ASN H 1 66 THR H . . 4.640 3.952 3.669 4.146 . 0 0 "[ . 1 . 2]" 3
521 1 73 PRO HD3 1 74 GLY H . . 4.690 3.878 3.863 3.881 . 0 0 "[ . 1 . 2]" 3
522 1 13 PRO HB2 1 30 CYS H . . 4.360 3.603 3.126 4.271 . 0 0 "[ . 1 . 2]" 3
523 1 41 ALA MB 1 47 ARG H . . 4.250 3.060 2.789 3.496 . 0 0 "[ . 1 . 2]" 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 12
_Distance_constraint_stats_list.Viol_count 155
_Distance_constraint_stats_list.Viol_total 322.982
_Distance_constraint_stats_list.Viol_max 0.216
_Distance_constraint_stats_list.Viol_rms 0.0634
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0673
_Distance_constraint_stats_list.Viol_average_violations_only 0.1042
_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 CYS 4.328 0.144 9 0 "[ . 1 . 2]"
1 14 CYS 3.624 0.195 16 0 "[ . 1 . 2]"
1 30 CYS 3.624 0.195 16 0 "[ . 1 . 2]"
1 31 CYS 4.103 0.216 16 0 "[ . 1 . 2]"
1 51 CYS 4.094 0.193 12 0 "[ . 1 . 2]"
1 53 CYS 4.328 0.144 9 0 "[ . 1 . 2]"
1 76 CYS 4.103 0.216 16 0 "[ . 1 . 2]"
1 90 CYS 4.094 0.193 12 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 4 CYS SG 1 53 CYS SG . . 2.000 2.014 1.974 2.116 0.116 8 0 "[ . 1 . 2]" 4
2 1 4 CYS SG 1 53 CYS CB . . 3.000 3.101 3.032 3.118 0.118 9 0 "[ . 1 . 2]" 4
3 1 4 CYS CB 1 53 CYS SG . . 3.000 3.091 2.972 3.144 0.144 9 0 "[ . 1 . 2]" 4
4 1 14 CYS SG 1 30 CYS SG . . 2.000 1.956 1.904 2.033 0.033 19 0 "[ . 1 . 2]" 4
5 1 14 CYS SG 1 30 CYS CB . . 3.000 3.149 3.104 3.195 0.195 16 0 "[ . 1 . 2]" 4
6 1 14 CYS CB 1 30 CYS SG . . 3.000 3.026 2.956 3.123 0.123 20 0 "[ . 1 . 2]" 4
7 1 31 CYS SG 1 76 CYS SG . . 2.000 1.949 1.907 2.110 0.110 15 0 "[ . 1 . 2]" 4
8 1 31 CYS SG 1 76 CYS CB . . 3.000 3.154 3.113 3.216 0.216 16 0 "[ . 1 . 2]" 4
9 1 31 CYS CB 1 76 CYS SG . . 3.000 3.029 2.945 3.174 0.174 14 0 "[ . 1 . 2]" 4
10 1 51 CYS SG 1 90 CYS SG . . 2.000 2.115 2.061 2.193 0.193 12 0 "[ . 1 . 2]" 4
11 1 51 CYS SG 1 90 CYS CB . . 3.000 3.067 2.987 3.117 0.117 18 0 "[ . 1 . 2]" 4
12 1 51 CYS CB 1 90 CYS SG . . 3.000 3.012 2.943 3.098 0.098 9 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 91.796
_Distance_constraint_stats_list.Viol_max 0.416
_Distance_constraint_stats_list.Viol_rms 0.1790
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1147
_Distance_constraint_stats_list.Viol_average_violations_only 0.3825
_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 29 PRO 4.590 0.416 3 0 "[ . 1 . 2]"
1 30 CYS 4.590 0.416 3 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 29 PRO QG 1 30 CYS H . . 3.400 3.223 2.369 3.816 0.416 3 0 "[ . 1 . 2]" 5
2 1 29 PRO HB2 1 30 CYS H . . 3.700 2.985 2.725 3.194 . 0 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 104
_Distance_constraint_stats_list.Viol_count 2076
_Distance_constraint_stats_list.Viol_total 16236.953
_Distance_constraint_stats_list.Viol_max 0.858
_Distance_constraint_stats_list.Viol_rms 0.1737
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3903
_Distance_constraint_stats_list.Viol_average_violations_only 0.3911
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 SER 5.869 0.516 3 2 "[ + . * 1 . 2]"
1 4 CYS 13.048 0.530 4 9 "[ +* **1 * *.* - *]"
1 6 THR 22.441 0.521 4 15 "[ **+* **** * -*****]"
1 7 VAL 13.048 0.530 4 9 "[ +* **1 * *.* - *]"
1 8 SER 27.909 0.521 13 19 "[-********* *+*******]"
1 9 ALA 16.573 0.521 4 14 "[ * +* **** * -*****]"
1 11 LEU 13.180 0.516 4 12 "[-**+** **1 * .* * *]"
1 12 ALA 31.433 0.521 13 11 "[ ** * * -+** ***2]"
1 14 CYS 11.762 0.535 1 1 "[+ . 1 . 2]"
1 15 VAL 47.128 0.728 11 19 "[-*********+** ******]"
1 16 THR 26.207 0.761 8 20 [*-*****+************]
1 17 TYR 24.755 0.569 19 6 "[ * .* 1* *. +-]"
1 18 LEU 29.283 0.728 11 19 "[-*********+** ******]"
1 19 GLN 39.110 0.761 8 20 [*-*****+************]
1 20 ALA 14.474 0.569 19 4 "[ . 1* *. +-]"
1 21 PRO 24.492 0.590 14 5 "[ * . 1- *+. *2]"
1 24 ALA 10.686 0.490 20 0 "[ . 1 . 2]"
1 27 PRO 18.845 0.543 4 1 "[ +. 1 . 2]"
1 28 PRO 17.189 0.615 8 10 "[** -***+ * .* * 2]"
1 30 CYS 24.480 0.581 16 20 [*****-*********+****]
1 31 CYS 27.676 0.557 4 20 [***+****************]
1 32 ALA 33.502 0.621 11 20 [***-******+*********]
1 33 GLY 29.169 0.581 16 20 [***************+****]
1 34 VAL 38.522 0.632 20 20 [*******************+]
1 35 LYS 34.692 0.621 11 20 [**-*******+*********]
1 36 LYS 27.687 0.579 11 18 "[-***. ****+*********]"
1 37 LEU 35.336 0.632 20 20 [********-**********+]
1 38 LEU 18.379 0.573 15 15 "[**- * * ***** +*** *]"
1 39 ALA 15.306 0.533 2 14 "[-+ *. ** *** ** ****]"
1 40 ALA 13.337 0.518 8 12 "[ * ** +-1***** * *2]"
1 43 THR 11.414 0.446 18 0 "[ . 1 . 2]"
1 44 THR 24.761 0.702 6 20 [*****+*****-********]
1 45 PRO 19.756 0.617 7 16 "[* **-*+ **** ******]"
1 46 ASP 29.797 0.610 17 20 [************-***+***]
1 47 ARG 44.534 0.702 6 20 [*****+********-*****]
1 48 GLN 34.959 0.617 7 20 [****-*+*************]
1 49 ALA 36.180 0.610 17 20 [**************-*+***]
1 50 ALA 37.906 0.652 18 20 [**************-**+**]
1 51 CYS 15.203 0.615 12 20 [*-*********+********]
1 52 ASN 37.622 0.623 18 20 [**************-**+**]
1 53 CYS 48.407 0.652 18 20 [***************-*+**]
1 55 LYS 19.825 0.623 18 20 [**************-**+**]
1 56 SER 28.860 0.572 15 19 "[*********** **+-****]"
1 57 ALA 26.053 0.626 4 14 "[** +*- * ******** 2]"
1 58 ALA 24.560 0.858 20 20 [*******-***********+]
1 59 GLY 12.994 0.535 19 5 "[* . * *-. +2]"
1 60 SER 36.204 0.858 20 20 [************-******+]
1 61 ILE 25.816 0.737 11 20 [**********+********-]
1 64 LEU 25.816 0.737 11 20 [**********+********-]
1 65 ASN 9.300 0.508 20 1 "[ . 1 . +]"
1 66 THR 20.206 0.652 10 20 [*********+********-*]
1 67 ASN 20.615 0.552 15 20 [***-**********+*****]
1 68 ASN 67.419 0.613 2 20 [*+****************-*]
1 69 ALA 20.206 0.652 10 20 [*********+********-*]
1 70 ALA 20.615 0.552 15 20 [***-**********+*****]
1 71 ALA 20.529 0.613 2 20 [*+***********-******]
1 72 LEU 15.341 0.565 16 13 "[ * ** * *1 * **+**-*]"
1 73 PRO 33.842 0.623 16 20 [*************-*+****]
1 74 GLY 12.562 0.516 10 6 "[ - *. * + .* * 2]"
1 75 LYS 1.837 0.325 1 0 "[ . 1 . 2]"
1 76 CYS 14.797 0.525 16 19 "[***** *******-*+****]"
1 77 GLY 12.562 0.516 10 6 "[ - *. * + .* * 2]"
1 78 VAL 19.045 0.623 16 18 [*****-***1****.+****]
1 85 SER 18.059 0.537 12 13 "[** - * 1*+**.*****]"
1 88 THR 18.059 0.537 12 13 "[** - * 1*+**.*****]"
1 89 ASN 9.243 0.541 4 3 "[ +. 1 * *2]"
1 90 CYS 17.017 0.637 12 10 "[ -**. * *1 +* * * *]"
1 92 THR 9.243 0.541 4 3 "[ +. 1 * *2]"
1 93 VAL 17.017 0.637 12 10 "[ -**. * *1 +* * * *]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER O 1 6 THR H . . 1.800 1.932 1.822 2.304 0.504 8 2 "[ - . + 1 . 2]" 6
2 1 3 SER O 1 6 THR N . . 2.700 2.861 2.749 3.216 0.516 3 1 "[ + . 1 . 2]" 6
3 1 4 CYS O 1 7 VAL H . . 1.800 2.280 2.003 2.330 0.530 4 9 "[ +* **1 * *.* - *]" 6
4 1 4 CYS O 1 7 VAL N . . 2.700 2.872 2.752 2.941 0.241 6 0 "[ . 1 . 2]" 6
5 1 6 THR O 1 9 ALA H . . 1.800 2.283 2.125 2.321 0.521 4 14 "[ * +* **** * -*****]" 6
6 1 6 THR O 1 9 ALA N . . 2.700 3.045 2.926 3.103 0.403 7 0 "[ . 1 . 2]" 6
7 1 8 SER O 1 11 LEU H . . 1.800 2.249 2.063 2.316 0.516 4 12 "[-**+** **1 * .* * *]" 6
8 1 8 SER O 1 11 LEU N . . 2.700 2.910 2.772 3.021 0.321 4 0 "[ . 1 . 2]" 6
9 1 8 SER O 1 12 ALA H . . 1.800 2.249 1.992 2.321 0.521 13 11 "[ ** * * -+** ***2]" 6
10 1 8 SER O 1 12 ALA N . . 2.700 2.988 2.746 3.152 0.452 18 0 "[ . 1 . 2]" 6
11 1 12 ALA O 1 15 VAL H . . 1.800 2.217 2.141 2.297 0.497 17 0 "[ . 1 . 2]" 6
12 1 12 ALA O 1 15 VAL N . . 2.700 3.118 3.082 3.154 0.454 17 0 "[ . 1 . 2]" 6
13 1 14 CYS O 1 18 LEU H . . 1.800 2.098 1.846 2.335 0.535 1 1 "[+ . 1 . 2]" 6
14 1 14 CYS O 1 18 LEU N . . 2.700 2.990 2.778 3.170 0.470 1 0 "[ . 1 . 2]" 6
15 1 15 VAL O 1 18 LEU H . . 1.800 2.444 2.208 2.528 0.728 11 19 "[-*********+** ******]" 6
16 1 15 VAL O 1 18 LEU N . . 2.700 2.933 2.802 3.006 0.306 3 0 "[ . 1 . 2]" 6
17 1 15 VAL O 1 19 GLN H . . 1.800 2.203 1.935 2.392 0.592 3 4 "[**+ . - 1 . 2]" 6
18 1 15 VAL O 1 19 GLN N . . 2.700 2.942 2.727 3.224 0.524 2 1 "[ + . 1 . 2]" 6
19 1 16 THR O 1 19 GLN H . . 1.800 2.522 2.452 2.561 0.761 8 20 [*******+**-*********] 6
20 1 16 THR O 1 19 GLN N . . 2.700 3.288 3.089 3.405 0.705 8 17 "[*-*****+** ** *** **]" 6
21 1 17 TYR O 1 20 ALA H . . 1.800 2.205 1.964 2.369 0.569 19 4 "[ . 1* *. +-]" 6
22 1 17 TYR O 1 20 ALA N . . 2.700 3.019 2.798 3.230 0.530 14 1 "[ . 1 +. 2]" 6
23 1 21 PRO O 1 24 ALA H . . 1.800 2.080 1.865 2.290 0.490 20 0 "[ . 1 . 2]" 6
24 1 21 PRO O 1 24 ALA N . . 2.700 2.954 2.792 3.015 0.315 4 0 "[ . 1 . 2]" 6
25 1 27 PRO O 1 30 CYS H . . 1.800 2.091 2.039 2.142 0.342 7 0 "[ . 1 . 2]" 6
26 1 27 PRO O 1 30 CYS N . . 2.700 2.794 2.712 2.876 0.176 13 0 "[ . 1 . 2]" 6
27 1 27 PRO O 1 31 CYS H . . 1.800 2.049 1.878 2.301 0.501 4 1 "[ +. 1 . 2]" 6
28 1 27 PRO O 1 31 CYS N . . 2.700 3.008 2.840 3.243 0.543 4 1 "[ +. 1 . 2]" 6
29 1 28 PRO O 1 32 ALA H . . 1.800 2.205 1.976 2.358 0.558 1 9 "[+* **** * .- * 2]" 6
30 1 28 PRO O 1 32 ALA N . . 2.700 3.154 2.935 3.315 0.615 8 10 "[** -***+ * .* * 2]" 6
31 1 30 CYS O 1 33 GLY H . . 1.800 2.351 2.317 2.381 0.581 16 20 [*****-*********+****] 6
32 1 30 CYS O 1 33 GLY N . . 2.700 2.988 2.938 3.029 0.329 14 0 "[ . 1 . 2]" 6
33 1 31 CYS O 1 34 VAL H . . 1.800 2.338 2.327 2.357 0.557 4 20 [***+***************-] 6
34 1 31 CYS O 1 34 VAL N . . 2.700 2.988 2.958 3.033 0.333 10 0 "[ . 1 . 2]" 6
35 1 32 ALA O 1 35 LYS H . . 1.800 2.377 2.280 2.421 0.621 11 19 [**-******1+*********] 6
36 1 32 ALA O 1 35 LYS N . . 2.700 2.939 2.900 2.975 0.275 18 0 "[ . 1 . 2]" 6
37 1 33 GLY O 1 36 LYS H . . 1.800 2.240 2.064 2.379 0.579 11 9 "[* * . **+ * .-* *]" 6
38 1 33 GLY O 1 36 LYS N . . 2.700 2.879 2.755 3.018 0.318 3 0 "[ . 1 . 2]" 6
39 1 34 VAL O 1 37 LEU H . . 1.800 2.372 2.331 2.432 0.632 20 20 [*****************-*+] 6
40 1 34 VAL O 1 37 LEU N . . 2.700 3.228 3.128 3.292 0.592 11 14 "[ ****** *+* ** *-*2]" 6
41 1 35 LYS O 1 38 LEU H . . 1.800 2.250 1.985 2.350 0.550 11 13 "[**- * * **+** ** *]" 6
42 1 35 LYS O 1 38 LEU N . . 2.700 3.169 2.929 3.273 0.573 15 12 "[* * * * **** +*-* 2]" 6
43 1 36 LYS O 1 39 ALA H . . 1.800 2.297 2.197 2.333 0.533 2 14 "[-+ *. ** *** ** ****]" 6
44 1 36 LYS O 1 39 ALA N . . 2.700 2.969 2.874 3.192 0.492 2 0 "[ . 1 . 2]" 6
45 1 37 LEU O 1 40 ALA H . . 1.800 2.225 1.970 2.318 0.518 8 12 "[ * ** +-1***** * *2]" 6
46 1 37 LEU O 1 40 ALA N . . 2.700 2.942 2.750 3.150 0.450 11 0 "[ . 1 . 2]" 6
47 1 43 THR OG1 1 46 ASP H . . 1.800 2.132 2.040 2.246 0.446 18 0 "[ . 1 . 2]" 6
48 1 43 THR OG1 1 46 ASP N . . 2.700 2.939 2.868 2.993 0.293 18 0 "[ . 1 . 2]" 6
49 1 44 THR O 1 47 ARG H . . 1.800 2.427 2.350 2.502 0.702 6 20 [*****+*****-********] 6
50 1 44 THR O 1 47 ARG N . . 2.700 3.311 3.268 3.350 0.650 18 20 [*********-*******+**] 6
51 1 45 PRO O 1 48 GLN H . . 1.800 2.343 2.280 2.417 0.617 7 16 "[* **-*+ **** ******]" 6
52 1 45 PRO O 1 48 GLN N . . 2.700 3.145 3.107 3.233 0.533 12 2 "[ . - + . 2]" 6
53 1 46 ASP O 1 49 ALA H . . 1.800 2.359 2.317 2.410 0.610 17 20 [************-***+***] 6
54 1 46 ASP O 1 49 ALA N . . 2.700 3.060 2.945 3.150 0.450 17 0 "[ . 1 . 2]" 6
55 1 47 ARG O 1 50 ALA H . . 1.800 2.337 2.303 2.382 0.582 12 20 [***********+**-*****] 6
56 1 47 ARG O 1 50 ALA N . . 2.700 3.152 3.029 3.238 0.538 9 1 "[ . +1 . 2]" 6
57 1 48 GLN O 1 51 CYS H . . 1.800 2.362 2.333 2.415 0.615 12 20 [*-*********+********] 6
58 1 48 GLN O 1 51 CYS N . . 2.700 2.898 2.850 2.938 0.238 7 0 "[ . 1 . 2]" 6
59 1 49 ALA O 1 52 ASN H . . 1.800 2.337 2.270 2.391 0.591 18 19 "[****** *******-**+**]" 6
60 1 49 ALA O 1 52 ASN N . . 2.700 3.053 2.936 3.141 0.441 12 0 "[ . 1 . 2]" 6
61 1 50 ALA O 1 53 CYS H . . 1.800 2.370 2.344 2.452 0.652 18 20 [************-****+**] 6
62 1 50 ALA O 1 53 CYS N . . 2.700 3.036 2.985 3.168 0.468 12 0 "[ . 1 . 2]" 6
63 1 52 ASN O 1 55 LYS H . . 1.800 2.357 2.334 2.423 0.623 18 20 [*-***************+**] 6
64 1 52 ASN O 1 55 LYS N . . 2.700 3.134 2.922 3.207 0.507 15 1 "[ . 1 + 2]" 6
65 1 53 CYS O 1 56 SER H . . 1.800 2.320 2.300 2.372 0.572 15 19 "[*********** **+-****]" 6
66 1 53 CYS O 1 56 SER N . . 2.700 2.973 2.898 3.088 0.388 10 0 "[ . 1 . 2]" 6
67 1 53 CYS O 1 57 ALA H . . 1.800 2.139 1.806 2.326 0.526 2 8 "[*+ .- * ** ** 2]" 6
68 1 53 CYS O 1 57 ALA N . . 2.700 3.082 2.729 3.284 0.584 2 9 "[*+ .* * *- *** 2]" 6
69 1 56 SER O 1 59 GLY H . . 1.800 2.180 1.927 2.328 0.528 10 4 "[* . + *-. 2]" 6
70 1 56 SER O 1 59 GLY N . . 2.700 2.970 2.768 3.235 0.535 19 1 "[ . 1 . +2]" 6
71 1 57 ALA O 1 60 SER H . . 1.800 2.104 1.875 2.426 0.626 4 5 "[ +- 1 ** . * 2]" 6
72 1 57 ALA O 1 60 SER N . . 2.700 2.978 2.740 3.315 0.615 4 5 "[ +* 1 *- . * 2]" 6
73 1 58 ALA O 1 60 SER H . . 1.800 2.627 2.588 2.658 0.858 20 20 [*******-***********+] 6
74 1 58 ALA O 1 60 SER N . . 2.700 3.101 2.879 3.140 0.440 10 0 "[ . 1 . 2]" 6
75 1 61 ILE O 1 64 LEU H . . 1.800 2.473 2.422 2.537 0.737 11 20 [**********+********-] 6
76 1 61 ILE O 1 64 LEU N . . 2.700 3.318 3.287 3.341 0.641 4 20 [***+***************-] 6
77 1 65 ASN O 1 68 ASN H . . 1.800 2.126 1.939 2.308 0.508 20 1 "[ . 1 . +]" 6
78 1 65 ASN O 1 68 ASN N . . 2.700 2.839 2.727 3.060 0.360 12 0 "[ . 1 . 2]" 6
79 1 17 TYR O 1 68 ASN HD21 . . 1.800 2.150 2.020 2.313 0.513 6 2 "[ - .+ 1 . 2]" 6
80 1 17 TYR O 1 68 ASN ND2 . . 2.700 2.864 2.729 3.159 0.459 6 0 "[ . 1 . 2]" 6
81 1 21 PRO O 1 68 ASN HD22 . . 1.800 2.123 1.970 2.327 0.527 14 3 "[ * . 1- +. 2]" 6
82 1 21 PRO O 1 68 ASN ND2 . . 2.700 3.067 2.922 3.290 0.590 14 5 "[ * . 1- *+. *2]" 6
83 1 66 THR O 1 69 ALA H . . 1.800 2.417 2.378 2.452 0.652 10 20 [*********+********-*] 6
84 1 66 THR O 1 69 ALA N . . 2.700 3.094 3.068 3.102 0.402 15 0 "[ . 1 . 2]" 6
85 1 67 ASN O 1 70 ALA H . . 1.800 2.335 2.316 2.352 0.552 15 20 [**************+****-] 6
86 1 67 ASN O 1 70 ALA N . . 2.700 3.196 3.158 3.215 0.515 8 7 "[ -. *+** * . * 2]" 6
87 1 68 ASN O 1 71 ALA H . . 1.800 2.369 2.338 2.413 0.613 2 20 [*+***********-******] 6
88 1 68 ASN O 1 71 ALA N . . 2.700 3.066 3.037 3.105 0.405 2 0 "[ . 1 . 2]" 6
89 1 68 ASN O 1 72 LEU H . . 1.800 2.296 2.158 2.365 0.565 16 13 "[ * ** * *1 * **+**-*]" 6
90 1 68 ASN O 1 72 LEU N . . 2.700 2.971 2.835 3.059 0.359 14 0 "[ . 1 . 2]" 6
91 1 71 ALA O 1 75 LYS H . . 1.800 1.829 1.789 2.106 0.306 1 0 "[ . 1 . 2]" 6
92 1 71 ALA O 1 75 LYS N . . 2.700 2.761 2.722 3.025 0.325 1 0 "[ . 1 . 2]" 6
93 1 73 PRO O 1 76 CYS H . . 1.800 2.308 2.169 2.325 0.525 16 19 "[***** *******-*+****]" 6
94 1 73 PRO O 1 76 CYS N . . 2.700 2.932 2.859 3.014 0.314 15 0 "[ . 1 . 2]" 6
95 1 74 GLY O 1 77 GLY H . . 1.800 2.158 1.840 2.316 0.516 10 5 "[ *. * + .* - 2]" 6
96 1 74 GLY O 1 77 GLY N . . 2.700 2.970 2.744 3.213 0.513 4 3 "[ - +. * . 2]" 6
97 1 73 PRO O 1 78 VAL H . . 1.800 2.298 1.916 2.347 0.547 16 18 [*****-***1****.+****] 6
98 1 73 PRO O 1 78 VAL N . . 2.700 3.154 2.894 3.323 0.623 16 6 "[ * . * *1 * .+ -2]" 6
99 1 85 SER O 1 88 THR H . . 1.800 2.304 2.269 2.337 0.537 12 12 "[** - * 1*+**.*** *]" 6
100 1 85 SER O 1 88 THR N . . 2.700 3.099 3.045 3.205 0.505 19 1 "[ . 1 . +2]" 6
101 1 89 ASN O 1 92 THR H . . 1.800 2.019 1.833 2.316 0.516 15 3 "[ -. 1 + *2]" 6
102 1 89 ASN O 1 92 THR N . . 2.700 2.944 2.749 3.241 0.541 4 3 "[ +. 1 * -2]" 6
103 1 90 CYS O 1 93 VAL H . . 1.800 2.254 2.054 2.371 0.571 12 9 "[ -**. * *1 +* * * 2]" 6
104 1 90 CYS O 1 93 VAL N . . 2.700 3.097 2.947 3.337 0.637 12 3 "[ * . 1 + . -]" 6
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