NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
501112 |
2y1s   |
17366 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2y1s
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 595
_Distance_constraint_stats_list.Viol_count 1623
_Distance_constraint_stats_list.Viol_total 3699.951
_Distance_constraint_stats_list.Viol_max 0.188
_Distance_constraint_stats_list.Viol_rms 0.0182
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0570
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 4.116 0.132 20 0 "[ . 1 . 2 . 3 . 4]"
1 3 ASN 4.116 0.132 20 0 "[ . 1 . 2 . 3 . 4]"
1 4 PHE 0.055 0.049 16 0 "[ . 1 . 2 . 3 . 4]"
1 5 SER 0.095 0.049 16 0 "[ . 1 . 2 . 3 . 4]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 THR 0.785 0.026 38 0 "[ . 1 . 2 . 3 . 4]"
1 8 CYS 0.745 0.024 5 0 "[ . 1 . 2 . 3 . 4]"
1 9 SER 0.537 0.046 18 0 "[ . 1 . 2 . 3 . 4]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 TYR 1.052 0.067 37 0 "[ . 1 . 2 . 3 . 4]"
1 14 ASP 1.052 0.067 37 0 "[ . 1 . 2 . 3 . 4]"
1 15 PRO 0.013 0.007 8 0 "[ . 1 . 2 . 3 . 4]"
1 16 ASP 3.040 0.077 29 0 "[ . 1 . 2 . 3 . 4]"
1 17 SER 3.028 0.077 29 0 "[ . 1 . 2 . 3 . 4]"
1 18 THR 0.015 0.015 2 0 "[ . 1 . 2 . 3 . 4]"
1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 SER 8.090 0.188 13 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 6.101 0.188 13 0 "[ . 1 . 2 . 3 . 4]"
1 23 GLU 0.837 0.060 4 0 "[ . 1 . 2 . 3 . 4]"
1 24 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 GLN 4.885 0.143 19 0 "[ . 1 . 2 . 3 . 4]"
1 26 ALA 0.193 0.061 7 0 "[ . 1 . 2 . 3 . 4]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 29 GLY 1.640 0.063 10 0 "[ . 1 . 2 . 3 . 4]"
1 30 GLU 1.232 0.093 37 0 "[ . 1 . 2 . 3 . 4]"
1 31 TRP 0.537 0.046 18 0 "[ . 1 . 2 . 3 . 4]"
1 32 LEU 4.530 0.143 19 0 "[ . 1 . 2 . 3 . 4]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 THR 0.837 0.060 4 0 "[ . 1 . 2 . 3 . 4]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 LEU 2.057 0.124 3 0 "[ . 1 . 2 . 3 . 4]"
1 37 ARG 0.068 0.034 17 0 "[ . 1 . 2 . 3 . 4]"
1 38 LEU 1.138 0.057 38 0 "[ . 1 . 2 . 3 . 4]"
1 39 SER 0.049 0.025 22 0 "[ . 1 . 2 . 3 . 4]"
1 40 ASP 1.437 0.057 38 0 "[ . 1 . 2 . 3 . 4]"
1 41 HIS 2.760 0.110 23 0 "[ . 1 . 2 . 3 . 4]"
1 42 ILE 3.647 0.110 23 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLY 3.347 0.124 7 0 "[ . 1 . 2 . 3 . 4]"
1 44 ASN 3.601 0.172 2 0 "[ . 1 . 2 . 3 . 4]"
1 45 ILE 0.114 0.015 26 0 "[ . 1 . 2 . 3 . 4]"
1 46 ASP 6.063 0.167 2 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLY 0.903 0.046 36 0 "[ . 1 . 2 . 3 . 4]"
1 48 GLU 0.038 0.015 26 0 "[ . 1 . 2 . 3 . 4]"
1 49 LEU 2.045 0.103 35 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 3.423 0.124 7 0 "[ . 1 . 2 . 3 . 4]"
1 51 PHE 6.057 0.180 32 0 "[ . 1 . 2 . 3 . 4]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 ASP 0.821 0.068 32 0 "[ . 1 . 2 . 3 . 4]"
1 54 GLN 0.111 0.047 2 0 "[ . 1 . 2 . 3 . 4]"
1 55 ASN 2.959 0.118 11 0 "[ . 1 . 2 . 3 . 4]"
1 56 PHE 6.170 0.172 2 0 "[ . 1 . 2 . 3 . 4]"
1 57 GLN 2.891 0.118 11 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLU 0.786 0.026 12 0 "[ . 1 . 2 . 3 . 4]"
1 59 THR 0.786 0.026 12 0 "[ . 1 . 2 . 3 . 4]"
1 60 CYS 0.035 0.014 14 0 "[ . 1 . 2 . 3 . 4]"
1 61 GLN 0.553 0.029 30 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 3.568 0.084 24 0 "[ . 1 . 2 . 3 . 4]"
1 63 CYS 3.568 0.084 24 0 "[ . 1 . 2 . 3 . 4]"
1 64 ARG 2.174 0.117 22 0 "[ . 1 . 2 . 3 . 4]"
1 65 LEU 3.328 0.139 20 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 5.493 0.155 12 0 "[ . 1 . 2 . 3 . 4]"
1 67 PHE 5.281 0.155 12 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLY 2.639 0.093 2 0 "[ . 1 . 2 . 3 . 4]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 72 GLN 0.953 0.060 28 0 "[ . 1 . 2 . 3 . 4]"
1 73 SER 0.953 0.060 28 0 "[ . 1 . 2 . 3 . 4]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 75 TRP 3.809 0.093 2 0 "[ . 1 . 2 . 3 . 4]"
1 76 LEU 3.338 0.124 39 0 "[ . 1 . 2 . 3 . 4]"
1 77 VAL 3.116 0.139 20 0 "[ . 1 . 2 . 3 . 4]"
1 78 CYS 2.200 0.117 22 0 "[ . 1 . 2 . 3 . 4]"
1 79 THR 0.421 0.032 30 0 "[ . 1 . 2 . 3 . 4]"
1 80 CYS 1.471 0.068 40 0 "[ . 1 . 2 . 3 . 4]"
1 81 GLN 0.260 0.022 37 0 "[ . 1 . 2 . 3 . 4]"
1 82 THR 0.028 0.018 36 0 "[ . 1 . 2 . 3 . 4]"
1 83 MET 6.764 0.167 2 0 "[ . 1 . 2 . 3 . 4]"
1 84 ASP 1.422 0.041 9 0 "[ . 1 . 2 . 3 . 4]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 87 TRP 0.261 0.029 30 0 "[ . 1 . 2 . 3 . 4]"
1 88 LYS 0.010 0.010 36 0 "[ . 1 . 2 . 3 . 4]"
1 89 SER 4.691 0.141 19 0 "[ . 1 . 2 . 3 . 4]"
1 90 THR 9.507 0.152 22 0 "[ . 1 . 2 . 3 . 4]"
1 91 GLN 0.025 0.017 1 0 "[ . 1 . 2 . 3 . 4]"
1 92 ILE 8.436 0.180 32 0 "[ . 1 . 2 . 3 . 4]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 94 LEU 2.557 0.069 29 0 "[ . 1 . 2 . 3 . 4]"
1 95 ASP 1.141 0.035 2 0 "[ . 1 . 2 . 3 . 4]"
1 96 SER 0.739 0.073 37 0 "[ . 1 . 2 . 3 . 4]"
1 97 GLN 0.739 0.073 37 0 "[ . 1 . 2 . 3 . 4]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 99 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 100 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 101 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 104 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 107 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
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 2 PRO QB 1 3 ASN H 2.500 . 3.000 3.103 3.077 3.132 0.132 20 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 2 PRO HA 1 3 ASN H 2.500 . 2.800 2.355 2.345 2.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 3 ASN H 1 3 ASN QB 3.000 . 3.500 2.611 2.470 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 3 ASN QB 1 3 ASN QD 2.500 . 2.700 2.411 2.215 2.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 3 ASN H 1 4 PHE H 4.000 . 5.000 4.443 4.249 4.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 3 ASN HA 1 4 PHE H 2.500 . 3.000 2.703 2.624 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 4 PHE H 1 5 SER H 2.500 . 3.000 2.882 2.703 3.049 0.049 16 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 5 SER H 1 6 HIS H 3.000 . 3.700 3.142 3.043 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 5 SER H 1 7 THR H 3.000 . 3.700 3.643 3.487 3.726 0.026 38 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 7 THR H 1 7 THR MG 3.000 . 4.000 1.951 1.823 2.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 7 THR HA 1 8 CYS H 3.000 . 3.500 3.519 3.505 3.524 0.024 5 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 7 THR H 1 8 CYS H 2.500 . 2.700 2.600 2.528 2.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 8 CYS H 1 8 CYS QB 3.000 . 3.500 2.721 2.674 2.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 8 CYS QB 1 9 SER H 3.000 . 3.500 2.611 2.531 2.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 8 CYS HA 1 9 SER H 2.500 . 2.900 2.347 2.313 2.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 8 CYS QB 1 23 GLU H 4.000 . 5.000 3.459 3.286 3.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 9 SER H 1 9 SER QB 3.000 . 3.500 2.685 2.643 2.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 9 SER H 1 10 SER H 4.000 . 5.000 4.499 4.485 4.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 9 SER QB 1 10 SER H 3.000 . 3.500 2.441 2.366 2.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 9 SER HA 1 10 SER H 2.500 . 2.900 2.448 2.419 2.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 9 SER H 1 22 ALA MB 4.000 . 5.000 3.554 3.387 3.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 9 SER H 1 23 GLU H 4.000 . 5.000 3.115 2.995 3.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 9 SER H 1 23 GLU QB 4.000 . 5.000 3.319 3.063 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 9 SER H 1 31 TRP HZ3 3.000 . 4.000 4.000 3.852 4.046 0.046 18 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 10 SER HA 1 11 ILE H 2.500 . 2.900 2.605 2.572 2.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 10 SER H 1 11 ILE H 3.000 . 3.500 2.721 2.682 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 10 SER H 1 11 ILE QG 4.000 . 5.000 3.500 3.394 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 10 SER QB 1 23 GLU H 4.000 . 5.000 3.099 2.919 3.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 11 ILE H 1 11 ILE HB 2.500 . 2.900 2.483 2.448 2.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 11 ILE H 1 11 ILE QG 2.500 . 2.900 2.030 1.954 2.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 11 ILE H 1 11 ILE MG 4.000 . 4.000 3.744 3.742 3.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 11 ILE H 1 12 ASN H 4.000 . 5.000 4.498 4.455 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 11 ILE HA 1 12 ASN H 2.500 . 2.900 2.203 2.197 2.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 11 ILE MG 1 12 ASN H 3.000 . 3.500 3.013 2.919 3.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 11 ILE HB 1 12 ASN H 4.000 . 6.000 4.366 4.327 4.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 11 ILE HA 1 21 SER H 4.000 . 5.500 4.866 4.692 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 12 ASN H 1 12 ASN QB 3.000 . 3.500 2.525 2.490 2.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 12 ASN HA 1 12 ASN QD 4.000 . 5.000 3.329 1.845 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 12 ASN H 1 12 ASN QD 4.000 . 5.000 4.788 4.423 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 12 ASN H 1 13 TYR H 4.000 . 5.000 4.504 4.463 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 12 ASN HA 1 13 TYR H 2.500 . 2.900 2.268 2.240 2.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 12 ASN H 1 20 LEU HA 4.000 . 6.000 4.501 4.306 4.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 12 ASN H 1 20 LEU QD 4.000 . 5.500 3.824 3.736 3.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 12 ASN QB 1 21 SER H 4.000 . 5.000 2.968 2.839 3.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 12 ASN H 1 22 ALA MB 3.000 . 4.000 3.521 3.271 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 12 ASN H 1 22 ALA HA 4.000 . 5.000 3.925 3.768 4.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 13 TYR H 1 13 TYR QB 2.500 . 3.000 2.625 2.608 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 13 TYR H 1 13 TYR QD 4.000 . 5.000 4.216 4.079 4.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 13 TYR H 1 14 ASP H 4.000 . 5.000 3.922 3.843 3.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 13 TYR QD 1 14 ASP H 4.000 . 5.000 3.944 3.869 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 13 TYR HA 1 14 ASP H 2.500 . 3.000 2.243 2.230 2.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 13 TYR QE 1 14 ASP H 4.000 . 5.000 5.023 4.937 5.067 0.067 37 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 13 TYR QE 1 38 LEU H 5.000 2.800 7.000 4.641 4.390 4.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 13 TYR H 1 65 LEU QD 3.000 . 4.000 3.485 3.008 3.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 13 TYR H 1 65 LEU HG 5.000 . 7.000 5.236 4.775 6.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 13 TYR QD 1 65 LEU H 5.000 . 7.000 4.014 3.658 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 13 TYR QB 1 65 LEU H 5.000 . 6.000 4.112 3.674 4.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 14 ASP H 1 14 ASP QB 2.500 . 3.000 2.465 2.280 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 14 ASP H 1 15 PRO QD 4.000 . 5.000 4.259 4.123 4.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 14 ASP HA 1 16 ASP H 4.000 . 5.000 3.873 3.755 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 14 ASP QB 1 17 SER H 3.000 . 3.500 3.039 2.925 3.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 14 ASP QB 1 18 THR H 4.000 . 5.000 3.458 3.313 3.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 14 ASP H 1 19 ILE H 4.000 . 5.000 2.968 2.859 3.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 14 ASP H 1 19 ILE MD 5.000 . 7.000 5.374 5.172 5.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 14 ASP QB 1 19 ILE H 3.000 . 3.500 2.697 2.511 3.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 14 ASP H 1 21 SER H 4.000 . 5.000 4.773 4.653 4.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 15 PRO QG 1 16 ASP H 4.000 2.800 5.000 3.024 2.794 4.065 0.006 2 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 15 PRO QB 1 16 ASP H 3.000 . 3.500 3.423 3.091 3.507 0.007 8 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 15 PRO QD 1 16 ASP H 2.500 . 3.000 2.758 2.714 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 15 PRO QB 1 63 CYS H 4.000 . 5.000 3.600 3.209 4.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 16 ASP H 1 16 ASP QB 2.500 . 2.900 2.404 2.388 2.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 16 ASP H 1 17 SER H 2.500 . 2.900 2.811 2.743 2.922 0.022 28 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 16 ASP QB 1 17 SER H 2.500 . 3.200 2.182 2.099 2.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 16 ASP HA 1 17 SER H 3.000 . 3.500 3.575 3.568 3.577 0.077 29 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 16 ASP H 1 18 THR H 4.000 . 5.000 3.470 3.443 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 17 SER H 1 17 SER QB 3.000 . 3.500 2.571 2.530 2.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 17 SER QB 1 18 THR H 3.000 . 4.000 3.861 3.827 3.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 17 SER H 1 18 THR H 2.500 . 2.900 2.573 2.535 2.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 17 SER HA 1 18 THR H 3.000 . 3.500 3.300 3.253 3.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 17 SER QB 1 19 ILE H 4.000 . 5.000 4.472 4.316 4.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 17 SER H 1 19 ILE H 4.000 . 5.000 4.514 4.411 4.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 18 THR H 1 18 THR MG 3.000 . 4.000 2.433 2.318 2.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 18 THR H 1 18 THR HB 4.000 . 5.000 3.945 3.880 4.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 18 THR H 1 19 ILE H 3.000 2.300 3.400 3.145 3.062 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 18 THR H 1 19 ILE HB 4.000 . 6.000 5.224 5.115 5.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 18 THR HB 1 38 LEU H 4.000 . 5.000 4.213 4.040 4.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 18 THR MG 1 39 SER H 4.000 . 4.500 4.369 4.279 4.515 0.015 2 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 18 THR HB 1 39 SER H 4.000 . 4.500 3.989 3.754 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 18 THR HB 1 56 PHE H 6.000 3.800 8.000 7.023 6.856 7.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 19 ILE H 1 19 ILE QG 3.000 . 3.500 2.828 2.726 2.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 19 ILE H 1 19 ILE MD 3.000 . 4.000 3.793 3.717 3.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 19 ILE H 1 19 ILE HB 2.500 . 3.000 2.612 2.560 2.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 19 ILE H 1 20 LEU H 4.000 . 5.000 4.407 4.371 4.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 19 ILE QG 1 20 LEU H 4.000 . 5.000 4.145 3.979 4.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 19 ILE MG 1 20 LEU H 2.500 . 3.200 2.604 2.302 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 19 ILE HA 1 20 LEU H 2.500 . 2.900 2.207 2.198 2.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 19 ILE MG 1 35 GLU H 4.000 . 5.500 5.081 4.932 5.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 19 ILE MG 1 36 LEU H 3.000 . 4.000 2.311 2.101 2.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 19 ILE HA 1 36 LEU H 4.000 . 5.000 3.911 3.800 4.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 19 ILE MG 1 21 SER H 4.000 3.300 4.900 4.163 4.071 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 20 LEU H 1 20 LEU QB 3.000 . 3.500 2.278 2.252 2.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 20 LEU QB 1 21 SER H 4.000 . 5.000 3.421 3.379 3.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 20 LEU HG 1 21 SER H 4.000 . 6.000 4.744 4.617 4.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 20 LEU HA 1 21 SER H 2.500 . 2.900 2.187 2.186 2.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 20 LEU QD 1 21 SER H 3.000 . 4.000 3.317 3.213 3.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 20 LEU H 1 36 LEU H 3.000 . 3.500 2.611 2.518 2.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 20 LEU QB 1 36 LEU H 3.000 . 3.500 3.319 3.244 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 21 SER H 1 21 SER QB 3.000 . 4.000 2.439 2.355 2.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 21 SER H 1 22 ALA H 4.000 . 5.000 4.472 4.446 4.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 21 SER H 1 22 ALA MB 4.000 . 5.500 4.420 4.311 4.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 21 SER QB 1 22 ALA H 3.000 . 3.500 3.653 3.625 3.688 0.188 13 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 21 SER HA 1 22 ALA H 2.500 . 2.900 2.208 2.194 2.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 21 SER HA 1 34 THR H 4.000 . 5.000 4.256 4.175 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 21 SER HA 1 36 LEU H 3.000 . 4.000 4.035 3.894 4.124 0.124 3 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 22 ALA H 1 22 ALA MB 3.000 . 4.000 2.741 2.689 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 22 ALA MB 1 23 GLU H 2.500 . 3.400 2.733 2.653 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 22 ALA HA 1 23 GLU H 2.500 . 2.900 2.319 2.284 2.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 22 ALA MB 1 34 THR H 4.000 . 5.500 4.201 4.106 4.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 22 ALA H 1 34 THR H 3.000 . 3.500 2.740 2.679 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 22 ALA H 1 35 GLU HA 4.000 . 5.000 4.047 3.738 4.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 23 GLU H 1 23 GLU QB 3.000 . 3.500 2.381 2.371 2.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 23 GLU H 1 23 GLU QG 4.000 . 5.000 4.048 4.040 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 23 GLU QB 1 24 CYS H 4.000 . 5.000 3.769 3.734 3.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 23 GLU HA 1 24 CYS H 2.500 . 2.900 2.201 2.193 2.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 23 GLU QG 1 32 LEU H 4.000 . 5.000 3.213 3.004 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 23 GLU HA 1 34 THR H 3.000 . 3.500 3.435 3.086 3.560 0.060 4 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 24 CYS QB 1 25 GLN H 3.000 . 3.500 2.650 2.585 2.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 24 CYS HA 1 25 GLN H 2.500 . 2.900 2.373 2.332 2.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 24 CYS H 1 25 GLN H 4.000 . 5.000 4.538 4.522 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 24 CYS H 1 31 TRP HE3 4.000 . 5.000 4.324 4.139 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 25 GLN H 1 25 GLN QB 3.000 . 3.500 2.371 2.339 2.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 25 GLN HA 1 26 ALA H 2.500 . 2.900 2.205 2.198 2.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 25 GLN QG 1 26 ALA H 4.000 . 5.000 2.662 2.554 2.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 25 GLN H 1 26 ALA H 4.000 . 5.000 4.546 4.495 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 25 GLN QB 1 26 ALA H 4.000 . 5.000 3.732 3.702 3.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 25 GLN QE 1 29 GLY QA 3.000 . 3.500 1.775 1.737 2.000 0.063 10 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 25 GLN QE 1 31 TRP HE1 4.000 . 5.000 4.271 2.606 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 25 GLN H 1 31 TRP HZ3 4.000 . 5.000 4.740 4.521 4.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 25 GLN H 1 31 TRP HE3 4.000 . 5.000 4.588 4.404 4.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 25 GLN H 1 31 TRP HA 4.000 . 5.000 4.638 4.582 4.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 25 GLN HA 1 32 LEU H 3.000 . 3.500 3.583 3.489 3.643 0.143 19 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 26 ALA H 1 26 ALA MB 2.500 . 3.200 2.217 2.176 2.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 26 ALA MB 1 27 ARG H 4.000 . 6.500 2.262 2.171 2.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 26 ALA HA 1 27 ARG H 4.000 . 5.000 2.421 2.338 2.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 26 ALA MB 1 28 ASP H 4.000 . 4.500 2.439 2.309 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 26 ALA MB 1 29 GLY H 3.000 . 3.500 3.411 3.205 3.531 0.031 9 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 26 ALA H 1 30 GLU QB 4.000 . 5.000 3.736 3.636 3.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 26 ALA H 1 30 GLU H 3.000 . 3.500 3.081 2.851 3.561 0.061 7 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 26 ALA H 1 31 TRP HA 3.000 . 3.500 3.272 3.051 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 27 ARG H 1 27 ARG HG3 4.000 . 5.000 2.073 2.014 2.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 27 ARG QB 1 28 ASP H 3.000 . 3.500 2.696 2.618 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 27 ARG QG 1 28 ASP H 4.000 . 5.000 4.048 4.001 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 27 ARG HA 1 29 GLY H 4.000 . 5.000 3.438 3.355 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 28 ASP H 1 28 ASP QB 3.000 . 3.500 2.573 2.517 2.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 28 ASP QB 1 29 GLY H 4.000 . 5.000 3.873 3.829 3.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 28 ASP HA 1 29 GLY H 3.000 . 3.500 3.279 3.232 3.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 29 GLY QA 1 30 GLU H 4.000 . 4.500 2.893 2.854 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 30 GLU H 1 30 GLU QB 2.500 . 2.900 2.485 2.399 2.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 30 GLU H 1 31 TRP H 4.000 . 5.000 4.589 4.544 4.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 30 GLU HA 1 31 TRP H 2.500 . 3.000 2.264 2.216 2.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 30 GLU QB 1 31 TRP H 3.000 . 3.500 2.853 2.625 3.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 30 GLU QG 1 31 TRP H 4.000 . 5.000 3.971 3.897 4.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 30 GLU QG 1 32 LEU H 5.000 . 7.000 7.024 6.909 7.093 0.093 37 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 31 TRP H 1 31 TRP HE1 4.000 . 5.000 4.641 4.380 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 31 TRP H 1 31 TRP HD1 3.000 . 3.500 2.283 2.025 2.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 31 TRP H 1 31 TRP QB 2.500 . 2.900 2.495 2.439 2.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 31 TRP H 1 31 TRP HE3 5.000 . 6.000 5.523 5.279 5.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 31 TRP QB 1 32 LEU H 3.000 . 3.500 3.204 3.146 3.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 31 TRP HA 1 32 LEU H 2.500 . 3.000 2.215 2.208 2.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 31 TRP HE3 1 32 LEU H 4.000 . 5.000 4.436 4.219 4.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 31 TRP H 1 32 LEU QB 4.000 . 6.000 5.790 5.605 5.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 32 LEU H 1 32 LEU HG 3.000 . 3.500 3.151 2.394 3.533 0.033 21 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 32 LEU H 1 32 LEU QB 2.500 . 2.900 2.719 2.600 2.918 0.018 4 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 33 PRO QB 1 34 THR H 3.000 . 3.500 3.190 3.128 3.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 33 PRO HA 1 34 THR H 2.500 . 2.900 2.286 2.265 2.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 34 THR H 1 34 THR HB 2.500 . 2.900 2.749 2.701 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 34 THR H 1 34 THR MG 4.000 . 5.500 3.907 3.886 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 34 THR MG 1 35 GLU H 3.000 . 3.500 2.243 2.011 2.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 34 THR HA 1 35 GLU H 2.500 . 2.900 2.256 2.225 2.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 34 THR HB 1 35 GLU H 4.000 . 5.000 3.967 3.816 4.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 35 GLU H 1 35 GLU QB 3.000 . 3.500 2.569 2.527 2.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 35 GLU H 1 35 GLU QG 3.000 . 3.500 2.755 2.672 2.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 35 GLU H 1 36 LEU QB 4.000 . 5.000 4.865 4.720 4.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 35 GLU H 1 36 LEU H 4.000 . 5.000 4.524 4.477 4.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 35 GLU HA 1 36 LEU H 2.500 . 2.900 2.334 2.314 2.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 35 GLU QB 1 36 LEU H 3.000 . 3.500 2.800 2.732 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 36 LEU H 1 36 LEU QB 2.500 . 2.900 2.747 2.728 2.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 36 LEU HA 1 37 ARG H 2.500 . 2.900 2.254 2.214 2.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 36 LEU QD 1 37 ARG H 3.000 . 3.500 2.279 1.766 2.909 0.034 17 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 36 LEU QD 1 40 ASP H 5.000 . 7.000 5.394 5.145 5.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 37 ARG H 1 37 ARG QD 4.000 . 5.500 4.291 4.257 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 37 ARG H 1 37 ARG QB 2.500 . 2.900 2.431 2.358 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 37 ARG HA 1 38 LEU H 2.500 . 2.900 2.238 2.226 2.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 37 ARG QD 1 39 SER H 4.000 . 6.000 4.186 3.506 4.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 37 ARG QG 1 39 SER H 3.000 . 3.500 2.522 2.453 2.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 37 ARG QG 1 40 ASP H 3.000 . 3.800 3.072 2.360 3.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 38 LEU H 1 38 LEU QD 3.000 . 3.500 3.020 2.960 3.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 38 LEU H 1 38 LEU HG 3.000 . 3.500 2.181 2.119 2.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 38 LEU H 1 38 LEU QB 3.000 . 3.500 2.482 2.416 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 38 LEU H 1 39 SER H 2.500 . 2.900 2.668 2.613 2.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 38 LEU QB 1 39 SER H 4.000 . 5.000 2.625 2.520 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 38 LEU HA 1 40 ASP H . . 3.500 3.526 3.391 3.557 0.057 38 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 38 LEU HA 1 41 HIS H 4.000 . 5.000 3.281 3.194 3.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 38 LEU HA 1 42 ILE H 4.000 . 5.000 4.702 4.549 4.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 39 SER H 1 39 SER QB 3.000 . 3.500 2.198 2.154 2.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 39 SER HA 1 40 ASP H 3.000 . 3.500 3.483 3.428 3.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 39 SER H 1 40 ASP H 3.000 . 3.500 2.897 2.848 2.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 39 SER QB 1 40 ASP H 4.000 . 5.000 3.473 3.431 3.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 39 SER HA 1 42 ILE H 4.000 . 5.000 3.143 3.068 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 39 SER QB 1 55 ASN H 4.000 . 5.000 2.946 2.813 3.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 39 SER HA 1 55 ASN H 3.000 . 3.500 3.298 3.067 3.525 0.025 22 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 39 SER H 1 56 PHE QE 4.000 . 5.000 2.778 2.677 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 39 SER QB 1 57 GLN H 4.000 . 5.000 4.174 3.875 4.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 39 SER HA 1 57 GLN H 4.000 . 5.000 4.724 4.524 4.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 39 SER QB 1 57 GLN QE 3.000 . 3.500 2.251 1.791 2.617 0.009 27 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 40 ASP H 1 40 ASP QB 2.500 . 2.900 2.381 2.321 2.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 40 ASP H 1 41 HIS H 2.500 . 2.900 2.734 2.566 2.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 40 ASP H 1 56 PHE QE 4.000 . 5.000 4.996 4.928 5.041 0.041 34 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 41 HIS H 1 41 HIS QB 3.000 . 3.500 2.478 2.424 2.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 41 HIS H 1 41 HIS HD2 5.000 . 6.000 5.415 5.344 5.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 41 HIS H 1 42 ILE H 2.500 . 3.200 2.352 2.323 2.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 41 HIS QB 1 42 ILE H 3.000 . 3.500 3.569 3.526 3.610 0.110 23 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 41 HIS HA 1 42 ILE H 3.000 . 3.500 3.247 3.216 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 41 HIS HD2 1 52 GLY H 3.500 2.300 4.000 3.625 3.391 3.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 41 HIS HA 1 53 ASP H 4.000 . 5.000 4.478 4.191 4.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 42 ILE H 1 42 ILE QG 3.000 . 3.500 2.790 2.655 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 42 ILE H 1 42 ILE MD 4.000 . 5.000 4.017 3.514 4.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 42 ILE H 1 42 ILE HB 2.500 . 2.900 2.736 2.680 2.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 42 ILE H 1 43 GLY H 4.000 . 5.000 4.334 4.312 4.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 42 ILE MG 1 43 GLY H 3.000 . 3.200 2.776 2.670 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 42 ILE HA 1 43 GLY H 2.500 . 2.900 2.169 2.166 2.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 42 ILE HB 1 43 GLY H 4.000 . 5.000 4.240 4.173 4.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 42 ILE MG 1 50 GLN H 3.000 . 4.000 3.491 3.206 3.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 42 ILE HA 1 52 GLY H 4.000 . 5.000 4.230 3.973 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 42 ILE H 1 55 ASN H 4.000 . 5.000 4.394 3.958 4.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 42 ILE H 1 56 PHE QE 4.000 . 5.000 4.734 4.554 4.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 42 ILE HB 1 56 PHE H 4.000 . 5.000 4.925 4.576 5.055 0.055 33 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 43 GLY QA 1 44 ASN H 2.500 . 2.900 2.315 2.291 2.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 43 GLY H 1 50 GLN QG 3.000 . 3.500 3.584 3.517 3.624 0.124 7 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 43 GLY H 1 51 PHE HA 4.000 . 5.000 4.583 4.492 4.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 43 GLY QA 1 54 GLN H 3.000 . 3.500 2.532 2.332 2.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 43 GLY QA 1 56 PHE H 3.000 . 3.800 3.638 3.430 3.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 44 ASN H 1 44 ASN QB 3.000 . 3.500 2.197 2.177 2.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 44 ASN H 1 44 ASN QD 4.000 . 5.000 4.721 4.654 4.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 44 ASN HA 1 44 ASN QD 3.000 . 3.500 3.500 3.381 3.551 0.051 15 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 44 ASN QD 1 45 ILE H 4.000 . 5.000 4.163 3.969 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 44 ASN HA 1 45 ILE H 2.500 . 2.900 2.217 2.204 2.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 44 ASN QD 1 47 GLY H 4.000 . 4.500 3.617 3.425 3.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 44 ASN H 1 53 ASP QB 4.000 . 5.000 3.992 3.790 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 44 ASN H 1 54 GLN H 4.000 . 5.000 4.883 4.600 5.047 0.047 2 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 44 ASN H 1 56 PHE H 4.000 . 5.000 5.074 5.035 5.172 0.172 2 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 44 ASN H 1 56 PHE HA 3.000 . 3.500 3.136 3.032 3.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 44 ASN QD 1 81 GLN H 3.000 . 3.500 3.250 3.125 3.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 45 ILE H 1 45 ILE MG 2.500 . 3.200 2.152 2.079 2.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 45 ILE H 1 45 ILE QG 4.000 . 5.000 4.202 4.061 4.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 45 ILE H 1 45 ILE HB 3.000 . 3.500 3.194 3.152 3.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 45 ILE HA 1 46 ASP H 2.500 . 2.900 2.192 2.175 2.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 45 ILE H 1 48 GLU H 2.500 . 2.900 2.873 2.807 2.915 0.015 26 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 45 ILE H 1 50 GLN H 4.000 . 5.000 4.968 4.890 5.012 0.012 4 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 46 ASP H 1 46 ASP QB 3.000 . 3.500 3.262 3.246 3.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 46 ASP H 1 47 GLY H 2.500 . 2.900 2.918 2.906 2.942 0.042 15 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 46 ASP QB 1 47 GLY H 4.000 . 5.000 3.804 3.787 3.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 46 ASP HA 1 47 GLY H 2.500 . 3.200 3.045 3.026 3.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 46 ASP HA 1 48 GLU H 4.000 . 5.000 4.562 4.535 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 46 ASP QB 1 48 GLU H 4.000 . 5.000 3.705 3.672 3.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 46 ASP H 1 83 MET QG 3.000 . 3.500 3.634 3.601 3.667 0.167 2 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 46 ASP H 1 83 MET H 4.000 . 5.500 5.368 5.306 5.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 47 GLY H 1 48 GLU H 2.500 . 2.900 2.407 2.352 2.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 47 GLY QA 1 48 GLU H 3.000 . 3.500 2.943 2.940 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 47 GLY H 1 48 GLU QB 4.000 . 5.000 4.696 4.671 4.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 47 GLY QA 1 80 CYS H 4.000 . 5.000 4.965 4.840 5.046 0.046 36 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 47 GLY H 1 80 CYS QB 4.000 . 5.000 4.214 4.131 4.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 47 GLY QA 1 82 THR H 4.000 . 5.000 4.376 4.327 4.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 47 GLY H 1 82 THR MG 4.000 . 5.500 4.851 4.566 4.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 47 GLY H 1 83 MET H 4.000 . 6.000 4.818 4.768 4.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 47 GLY H 1 83 MET QG 4.000 . 6.000 4.414 4.326 4.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 48 GLU H 1 48 GLU QG 3.000 . 3.500 2.661 2.588 2.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 48 GLU H 1 48 GLU QB 3.000 . 3.500 2.517 2.500 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 48 GLU HA 1 49 LEU H 2.500 . 2.900 2.383 2.341 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 48 GLU QB 1 49 LEU H 4.000 . 5.000 2.519 2.430 2.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 48 GLU H 1 49 LEU H 4.000 . 5.000 4.578 4.562 4.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 48 GLU QG 1 49 LEU H 4.000 . 5.000 4.351 4.312 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 49 LEU H 1 49 LEU HG 2.500 . 2.900 2.753 2.691 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 49 LEU H 1 49 LEU QD 3.000 . 4.000 3.391 3.341 3.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 49 LEU H 1 49 LEU QB 2.500 . 2.900 2.447 2.425 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 49 LEU H 1 50 GLN H 4.000 . 5.000 4.509 4.485 4.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 49 LEU QB 1 50 GLN H 4.000 . 5.000 3.154 3.072 3.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 49 LEU HA 1 50 GLN H 2.500 . 2.900 2.250 2.240 2.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 49 LEU QD 1 50 GLN H 3.000 . 4.000 3.448 3.375 3.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 49 LEU QD 1 56 PHE H 4.000 . 5.500 5.551 5.505 5.603 0.103 35 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 49 LEU QD 1 78 CYS H 3.000 . 4.000 3.325 3.125 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 49 LEU H 1 90 THR HB 4.000 . 5.000 3.212 2.978 3.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 49 LEU H 1 90 THR MG 3.000 . 4.000 3.216 3.106 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 49 LEU QD 1 91 GLN H 4.000 . 5.500 3.945 3.821 4.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 50 GLN H 1 50 GLN QG 4.000 . 4.500 2.355 2.331 2.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 50 GLN HA 1 51 PHE H 2.500 . 2.900 2.305 2.277 2.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 50 GLN QG 1 51 PHE H 4.000 . 5.000 3.473 3.334 3.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 50 GLN QB 1 51 PHE H 3.000 . 3.500 2.608 2.521 2.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 51 PHE H 1 51 PHE QD 3.000 . 3.500 2.620 2.543 2.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 51 PHE H 1 51 PHE QB 3.000 . 3.500 2.351 2.342 2.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 51 PHE H 1 51 PHE QE 4.000 . 4.500 4.481 4.429 4.531 0.031 27 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 51 PHE QB 1 52 GLY H 3.000 . 3.500 2.792 2.729 2.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 51 PHE HA 1 52 GLY H 2.500 . 2.900 2.340 2.325 2.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 51 PHE QD 1 52 GLY H 4.000 . 5.000 3.767 3.727 3.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 51 PHE HA 1 53 ASP H 3.000 . 3.500 3.487 3.301 3.568 0.068 32 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 51 PHE H 1 92 ILE MD 3.000 . 3.700 3.827 3.761 3.880 0.180 32 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 52 GLY H 1 53 ASP H 2.500 . 3.200 2.835 2.590 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 52 GLY QA 1 53 ASP H 3.000 . 3.500 2.796 2.764 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 52 GLY H 1 53 ASP QB 4.000 . 6.000 4.910 4.821 4.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 53 ASP H 1 53 ASP QB 2.500 . 2.900 2.470 2.407 2.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 53 ASP H 1 54 GLN H 4.000 . 5.000 4.565 4.500 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 53 ASP QB 1 54 GLN H 2.500 . 2.900 2.251 2.087 2.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 53 ASP HA 1 54 GLN H 2.500 . 2.900 2.536 2.496 2.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 53 ASP HA 1 55 ASN H 5.000 . 7.000 6.698 6.673 6.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 54 GLN H 1 54 GLN QB 3.000 . 3.500 3.140 3.106 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 54 GLN H 1 55 ASN H 4.000 . 5.000 4.507 4.496 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 54 GLN QB 1 55 ASN QD 4.000 . 4.500 3.843 3.758 3.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 54 GLN QG 1 55 ASN QD 4.000 . 5.000 2.282 2.191 2.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 54 GLN QB 1 55 ASN H 2.500 . 2.900 2.431 2.349 2.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 54 GLN HA 1 55 ASN H 2.500 . 2.900 2.508 2.479 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 55 ASN QB 1 55 ASN QD 2.500 . 2.700 2.251 2.222 2.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 55 ASN HA 1 55 ASN QD 4.000 . 5.000 4.175 4.129 4.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 55 ASN H 1 55 ASN QD 4.000 . 5.000 4.389 4.290 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 55 ASN H 1 55 ASN QB 3.000 . 3.500 3.490 3.447 3.510 0.010 39 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 55 ASN HA 1 56 PHE H 3.000 . 3.500 2.375 2.282 2.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 55 ASN H 1 56 PHE H 3.000 . 3.500 3.225 3.025 3.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 55 ASN HA 1 57 GLN H 3.000 . 4.000 4.072 4.018 4.118 0.118 11 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 55 ASN QB 1 57 GLN H 5.000 . 6.000 5.314 5.244 5.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 55 ASN H 1 57 GLN QE 4.000 . 6.000 3.317 3.143 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 55 ASN HA 1 57 GLN QE 3.000 . 3.500 2.158 1.997 2.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 55 ASN HA 1 58 GLU H 4.000 . 5.000 4.165 4.020 4.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 55 ASN QB 1 58 GLU H 4.000 . 5.000 4.580 4.455 4.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 56 PHE H 1 56 PHE QB 3.000 . 3.500 2.869 2.756 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 56 PHE H 1 56 PHE QD 3.000 . 3.500 2.321 2.149 2.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 56 PHE H 1 57 GLN H 3.000 . 3.500 2.107 2.033 2.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 56 PHE QD 1 57 GLN H 3.000 . 3.500 2.977 2.918 3.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 56 PHE H 1 57 GLN QE 3.000 . 3.500 2.165 1.972 2.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 57 GLN H 1 57 GLN QE 4.000 . 5.000 2.641 2.373 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 57 GLN H 1 57 GLN QG 3.000 . 3.500 2.909 2.670 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 57 GLN H 1 57 GLN QB 3.000 . 3.500 2.587 2.547 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 57 GLN H 1 58 GLU H 2.500 . 2.900 2.685 2.661 2.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 57 GLN QB 1 58 GLU H 4.000 . 5.000 3.593 3.539 3.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 57 GLN HA 1 58 GLU H 4.000 . 5.000 3.474 3.444 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 57 GLN HA 1 59 THR H 4.000 . 5.000 3.871 3.780 3.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 57 GLN HA 1 60 CYS H 3.000 . 3.500 3.202 3.054 3.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 58 GLU H 1 58 GLU QB 2.500 . 2.900 2.431 2.421 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 58 GLU H 1 58 GLU QG 3.000 . 4.000 2.127 2.074 2.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 58 GLU H 1 59 THR MG 4.000 . 5.500 4.260 4.166 4.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 58 GLU QB 1 59 THR H 3.000 . 3.500 2.795 2.771 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 58 GLU HA 1 59 THR H 3.000 . 3.500 3.520 3.510 3.526 0.026 12 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 58 GLU H 1 59 THR H 2.500 . 2.900 2.669 2.645 2.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 58 GLU H 1 60 CYS H 4.000 . 5.000 4.153 4.085 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 59 THR H 1 59 THR MG 3.000 . 4.000 2.616 2.502 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 59 THR H 1 59 THR HB 4.000 . 5.000 3.799 3.778 3.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 59 THR H 1 60 CYS H 2.500 . 2.900 2.542 2.445 2.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 59 THR HA 1 60 CYS H 3.000 . 3.500 3.042 2.994 3.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 59 THR MG 1 60 CYS H 4.000 . 5.500 4.288 4.245 4.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 59 THR H 1 60 CYS QB 4.000 . 5.000 4.180 4.070 4.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 59 THR HB 1 81 GLN H . 2.300 3.800 3.396 3.360 3.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 60 CYS H 1 60 CYS QB 2.500 . 2.900 2.885 2.823 2.914 0.014 14 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 60 CYS HA 1 61 GLN H 2.500 . 2.900 2.327 2.319 2.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 60 CYS QB 1 61 GLN H 3.000 . 3.500 2.659 2.626 2.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 60 CYS H 1 61 GLN H 4.000 . 5.000 4.456 4.450 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 60 CYS QB 1 79 THR H 4.000 . 4.500 3.724 3.683 3.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 60 CYS HA 1 80 CYS H 4.000 . 5.000 4.677 4.664 4.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 60 CYS HA 1 81 GLN H 3.000 . 3.500 3.022 2.990 3.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 61 GLN H 1 61 GLN QB 3.000 . 3.500 2.757 2.730 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 61 GLN QB 1 62 ASP H 2.500 . 2.900 2.103 2.084 2.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 61 GLN HA 1 62 ASP H 2.500 . 2.900 2.532 2.521 2.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 61 GLN H 1 62 ASP H 4.000 . 5.000 4.427 4.422 4.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 61 GLN QB 1 63 CYS H 4.000 . 5.000 4.582 4.533 4.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 61 GLN HA 1 63 CYS H 3.000 . 3.800 3.606 3.517 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 61 GLN H 1 78 CYS QB 4.000 . 5.000 3.959 3.848 4.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 61 GLN H 1 79 THR MG 4.000 . 6.500 3.961 3.915 4.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 61 GLN H 1 79 THR HB 4.000 . 5.000 2.773 2.712 2.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 61 GLN H 1 79 THR H 3.000 . 3.500 3.169 3.123 3.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 61 GLN QB 1 79 THR H 4.000 . 5.000 4.597 4.545 4.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 61 GLN H 1 80 CYS HA 3.000 . 3.800 3.776 3.733 3.819 0.019 36 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 61 GLN H 1 81 GLN H 4.000 . 5.000 5.002 4.970 5.022 0.022 37 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 61 GLN H 1 87 TRP HZ3 3.000 . 3.500 3.489 3.269 3.529 0.029 30 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 61 GLN H 1 87 TRP HE3 4.000 . 5.000 4.412 4.308 4.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 62 ASP H 1 62 ASP QB 3.000 . 3.500 3.320 3.315 3.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 62 ASP H 1 63 CYS H 2.500 . 2.900 2.973 2.961 2.984 0.084 24 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 62 ASP HA 1 63 CYS H 2.500 . 2.900 2.915 2.891 2.962 0.062 22 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 62 ASP QB 1 79 THR H 4.000 . 5.000 3.212 3.136 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 63 CYS H 1 63 CYS QB 2.500 . 2.900 2.265 2.258 2.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 63 CYS H 1 64 ARG H 4.000 . 5.000 4.584 4.566 4.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 63 CYS HA 1 77 VAL H 4.000 . 6.000 4.580 4.476 4.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 63 CYS HA 1 79 THR H 3.500 2.300 4.500 4.289 4.250 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 63 CYS H 1 79 THR H 5.000 2.800 7.000 4.966 4.899 5.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 64 ARG H 1 64 ARG QB 3.000 . 3.500 3.136 3.103 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 64 ARG H 1 65 LEU H 4.000 . 5.000 4.303 4.275 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 64 ARG HA 1 65 LEU H 2.500 . 2.900 2.168 2.144 2.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 64 ARG QB 1 65 LEU H 2.500 . 2.900 2.814 2.710 2.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 64 ARG H 1 76 LEU QD 3.000 . 3.700 2.893 2.501 3.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 64 ARG H 1 77 VAL H 3.000 . 3.200 3.066 2.966 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 64 ARG H 1 77 VAL QG 4.000 . 5.500 4.318 4.208 4.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 64 ARG H 1 77 VAL HB 5.000 . 6.000 3.918 3.762 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 64 ARG H 1 78 CYS HA 3.000 . 4.000 4.054 4.007 4.117 0.117 22 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 65 LEU H 1 65 LEU QB . . 2.900 2.347 2.189 2.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 65 LEU H 1 65 LEU HG 3.000 . 3.500 2.333 2.166 2.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 65 LEU H 1 65 LEU QD 4.000 . 4.000 3.099 2.919 3.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 65 LEU QD 1 66 GLU H 3.000 . 3.400 3.303 2.914 3.454 0.054 1 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 65 LEU QB 1 66 GLU H 2.500 . 2.900 2.800 2.757 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 65 LEU HA 1 66 GLU H 2.500 . 2.900 2.363 2.341 2.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 65 LEU H 1 66 GLU H 4.000 . 5.000 4.618 4.615 4.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 65 LEU QD 1 77 VAL H 4.000 . 5.500 3.980 3.780 4.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 65 LEU HA 1 77 VAL H 3.000 . 3.700 3.778 3.741 3.839 0.139 20 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 66 GLU H 1 66 GLU QG 3.000 . 3.500 3.053 2.986 3.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 66 GLU H 1 66 GLU QB 3.000 . 3.500 2.673 2.644 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 66 GLU HA 1 67 PHE H 2.500 . 2.900 2.221 2.209 2.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 66 GLU QG 1 67 PHE H 3.000 . 4.000 4.132 4.100 4.155 0.155 12 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 66 GLU QB 1 67 PHE H 3.000 . 3.500 3.236 3.114 3.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 66 GLU QG 1 68 GLY H 6.000 2.800 8.000 7.178 7.084 7.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 66 GLU H 1 74 VAL HA 5.000 . 7.000 3.575 3.498 3.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 66 GLU H 1 75 TRP QB 3.000 . 3.900 3.347 3.255 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 66 GLU H 1 77 VAL QG 4.000 . 5.000 4.566 4.469 4.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 66 GLU H 1 76 LEU HA 4.000 . 5.000 4.184 4.072 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 67 PHE H 1 67 PHE QD 3.000 . 3.500 2.153 2.094 2.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 67 PHE H 1 67 PHE QB 3.000 . 3.500 2.539 2.512 2.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 67 PHE QB 1 68 GLY H 4.000 . 5.000 3.056 2.986 3.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 67 PHE QD 1 68 GLY H 4.000 . 6.000 4.260 4.191 4.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 67 PHE HA 1 68 GLY H 2.500 . 2.900 2.229 2.208 2.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 68 GLY H 1 73 SER QB 4.000 . 5.000 3.291 3.087 3.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 68 GLY H 1 73 SER H 4.000 . 5.000 4.106 4.037 4.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 68 GLY H 1 75 TRP HE1 4.000 . 6.000 4.287 4.167 4.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 68 GLY H 1 75 TRP HD1 5.000 2.800 5.500 5.566 5.525 5.593 0.093 2 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 69 ASP H 1 69 ASP QB 2.500 . 3.200 2.432 2.425 2.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 69 ASP H 1 70 GLY H 2.500 . 3.200 2.828 2.820 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 71 GLU H 1 72 GLN H 2.500 . 3.200 2.823 2.764 2.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 71 GLU H 1 72 GLN QG 3.500 . 4.200 3.719 3.620 3.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 72 GLN H 1 72 GLN QG 2.500 . 3.200 2.180 2.082 2.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 72 GLN H 1 72 GLN QB 2.500 . 3.000 2.540 2.493 2.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 72 GLN H 1 73 SER H 2.500 . 3.200 2.635 2.505 2.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 72 GLN HA 1 73 SER H 3.000 . 3.500 3.244 3.191 3.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 72 GLN QB 1 73 SER H 3.000 . 3.500 3.458 2.863 3.560 0.060 28 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 73 SER QB 1 74 VAL H 3.000 . 3.500 2.746 2.711 2.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 73 SER HA 1 74 VAL H 2.500 . 2.900 2.353 2.327 2.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 73 SER QB 1 75 TRP HE1 3.000 . 4.000 1.944 1.817 2.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 74 VAL H 1 74 VAL HB 4.000 . 5.000 3.934 3.815 3.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 74 VAL HA 1 75 TRP H 2.500 . 2.900 2.325 2.310 2.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 75 TRP H 1 75 TRP QB 2.500 . 3.000 2.648 2.613 2.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 75 TRP H 1 75 TRP HD1 3.000 . 3.500 3.360 3.282 3.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 75 TRP H 1 75 TRP HE3 4.000 . 6.000 4.512 4.465 4.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 75 TRP HA 1 76 LEU H 2.500 . 2.900 2.155 2.148 2.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 75 TRP QB 1 76 LEU H 3.000 . 3.500 3.165 3.081 3.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 75 TRP HE3 1 76 LEU H 5.000 . 7.000 6.529 6.449 6.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 75 TRP QB 1 92 ILE H 4.000 . 5.000 4.442 4.224 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 75 TRP HE1 1 93 LEU QD 4.000 . 5.000 2.822 2.710 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 75 TRP HA 1 94 LEU H 3.000 . 3.700 3.726 3.620 3.758 0.058 36 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 76 LEU H 1 76 LEU QB 2.500 . 2.900 2.236 2.194 2.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 76 LEU HG 1 77 VAL H 4.000 . 4.500 3.450 2.974 3.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 76 LEU QD 1 77 VAL H 2.500 . 3.400 2.638 2.089 3.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 76 LEU HA 1 77 VAL H 2.500 . 2.900 2.133 2.121 2.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 76 LEU H 1 77 VAL H 4.000 . 4.500 4.403 4.337 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 76 LEU H 1 91 GLN HA 4.000 . 6.000 5.883 5.800 5.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 76 LEU H 1 92 ILE H 3.000 . 4.000 4.083 4.045 4.124 0.124 39 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 76 LEU QB 1 92 ILE H 4.000 . 5.000 3.913 3.804 4.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 76 LEU H 1 93 LEU QD 4.000 . 5.000 3.946 3.759 4.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 77 VAL H 1 77 VAL HB 3.000 . 3.500 2.668 2.594 2.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 77 VAL H 1 77 VAL QG 2.500 . 3.400 2.557 2.415 2.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 77 VAL QG 1 78 CYS H 2.500 . 3.400 2.427 2.305 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 77 VAL HA 1 78 CYS H 2.500 . 2.900 2.296 2.289 2.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 77 VAL HA 1 92 ILE H 4.000 . 4.500 3.538 3.461 3.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 78 CYS QB 1 79 THR H 2.500 . 3.200 2.774 2.716 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 78 CYS QB 1 90 THR H 4.000 . 6.000 4.438 4.265 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 78 CYS H 1 90 THR H 3.000 . 3.400 3.309 3.260 3.401 0.001 22 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 78 CYS H 1 91 GLN QB 4.000 . 5.000 4.719 4.492 4.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 78 CYS H 1 91 GLN HA 3.000 . 3.500 3.441 3.245 3.517 0.017 1 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 79 THR H 1 79 THR HB 2.500 . 2.900 2.582 2.557 2.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 79 THR H 1 79 THR MG 4.000 . 4.000 3.831 3.825 3.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 79 THR HB 1 80 CYS H 4.000 . 5.000 4.227 4.186 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 79 THR HA 1 80 CYS H 2.500 . 2.900 2.225 2.223 2.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 79 THR MG 1 80 CYS H 3.000 . 4.000 2.752 2.659 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 79 THR H 1 80 CYS H 4.000 . 5.000 4.438 4.414 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 79 THR HA 1 90 THR H 2.500 . 3.100 3.093 2.983 3.132 0.032 30 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 80 CYS H 1 80 CYS QB 3.000 . 3.500 2.440 2.418 2.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 80 CYS H 1 81 GLN H 4.000 . 5.000 4.408 4.330 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 80 CYS QB 1 81 GLN H 3.000 . 3.500 3.281 3.240 3.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 80 CYS HA 1 81 GLN H 2.500 . 2.900 2.202 2.193 2.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 80 CYS H 1 87 TRP HE3 4.000 . 5.000 4.230 4.150 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 80 CYS H 1 88 LYS H 3.000 . 3.300 3.242 3.175 3.310 0.010 36 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 80 CYS H 1 89 SER HA 3.000 . 3.700 3.730 3.703 3.768 0.068 40 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 80 CYS H 1 90 THR H 4.000 . 5.000 3.864 3.697 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 80 CYS H 1 90 THR MG 3.000 . 4.000 3.066 2.894 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 81 GLN H 1 81 GLN QG 4.000 . 5.000 3.988 3.986 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 81 GLN H 1 81 GLN QB 2.500 . 2.900 2.297 2.294 2.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 81 GLN H 1 82 THR H 4.000 . 5.000 4.697 4.693 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 81 GLN QG 1 82 THR H 3.000 . 3.500 2.140 2.074 2.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 81 GLN QB 1 82 THR H 4.000 . 5.000 3.518 3.476 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 81 GLN HA 1 82 THR H 2.500 . 2.900 2.291 2.273 2.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 81 GLN QG 1 85 GLY H 4.000 . 6.000 3.135 3.119 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 81 GLN QE 1 85 GLY QA 3.000 . 3.500 2.493 2.226 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 81 GLN QG 1 87 TRP HE1 4.000 . 5.000 4.372 4.110 4.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 81 GLN H 1 87 TRP HZ3 3.000 . 3.500 2.850 2.719 3.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 81 GLN HA 1 88 LYS H 3.000 . 3.500 3.451 3.373 3.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 82 THR H 1 82 THR HB 4.000 . 5.000 3.726 3.716 3.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 82 THR H 1 82 THR MG 2.500 . 3.400 2.253 2.186 2.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 82 THR MG 1 83 MET H 4.000 . 5.500 3.961 3.793 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 82 THR HB 1 83 MET H 2.500 . 2.900 2.523 2.418 2.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 82 THR H 1 85 GLY H 4.000 . 5.000 3.547 3.497 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 82 THR MG 1 86 GLU H 4.000 . 5.500 3.372 3.235 3.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 82 THR HB 1 86 GLU H 4.000 . 5.000 4.336 4.242 4.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 82 THR H 1 86 GLU H 3.000 . 3.500 3.201 3.140 3.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 82 THR H 1 86 GLU QG 4.000 . 6.000 4.949 4.910 5.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 82 THR H 1 87 TRP HA 3.000 . 3.500 3.466 3.358 3.518 0.018 36 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 82 THR MG 1 88 LYS H 4.000 . 5.500 3.500 3.370 3.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 83 MET H 1 83 MET QG 3.000 . 3.500 2.256 2.211 2.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 83 MET H 1 83 MET QB 2.500 . 2.900 2.409 2.383 2.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 83 MET H 1 84 ASP H 3.000 . 3.500 2.734 2.707 2.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 83 MET HA 1 84 ASP H 3.000 . 3.500 3.536 3.527 3.541 0.041 9 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 83 MET QB 1 84 ASP H 3.000 . 3.500 2.729 2.700 2.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 83 MET H 1 85 GLY H 4.000 . 5.000 3.987 3.965 4.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 84 ASP H 1 84 ASP QB 2.500 . 2.900 2.382 2.364 2.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 84 ASP HA 1 85 GLY H 3.000 . 3.500 3.434 3.353 3.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 84 ASP H 1 85 GLY H 2.500 . 2.900 2.561 2.547 2.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 84 ASP QB 1 85 GLY H 3.000 . 3.500 3.073 3.006 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 84 ASP H 1 86 GLU H 4.000 . 5.000 3.787 3.664 3.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 85 GLY QA 1 86 GLU H 3.000 . 3.500 2.949 2.948 2.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 85 GLY H 1 86 GLU H 2.500 . 2.900 2.224 2.169 2.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 85 GLY H 1 86 GLU QG 4.000 . 5.000 4.037 3.957 4.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 86 GLU H 1 86 GLU QG 3.000 . 3.500 2.295 2.238 2.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 86 GLU H 1 86 GLU QB 2.500 . 2.900 2.460 2.449 2.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 86 GLU H 1 87 TRP H 4.000 2.800 6.000 4.655 4.641 4.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 86 GLU QB 1 87 TRP H 3.000 . 3.500 2.573 2.419 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 86 GLU HA 1 87 TRP H 2.500 . 2.900 2.364 2.318 2.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 87 TRP H 1 87 TRP QB 2.500 . 2.900 2.439 2.413 2.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 87 TRP HE3 1 88 LYS H 4.000 . 5.000 3.721 3.631 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 87 TRP QB 1 88 LYS H 3.000 . 3.500 3.206 3.182 3.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 87 TRP HA 1 88 LYS H 2.500 . 2.900 2.229 2.226 2.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 87 TRP H 1 88 LYS H 4.000 . 5.000 4.486 4.444 4.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 88 LYS H 1 88 LYS QB 3.000 . 3.500 2.705 2.686 2.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 88 LYS H 1 88 LYS QG 3.000 . 3.500 2.894 2.863 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 88 LYS H 1 89 SER H 4.000 . 5.000 4.481 4.463 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 88 LYS QB 1 89 SER H 3.000 . 3.500 2.655 2.358 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 88 LYS HA 1 89 SER H 2.500 . 2.900 2.348 2.282 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 88 LYS QG 1 89 SER H 4.000 . 5.000 4.073 3.969 4.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 89 SER H 1 89 SER QB 2.500 . 2.900 2.476 2.431 2.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 89 SER HA 1 90 THR H 2.500 . 2.900 2.171 2.170 2.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 89 SER QB 1 90 THR H 2.500 . 3.200 3.287 3.262 3.341 0.141 19 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 90 THR H 1 90 THR MG 2.500 . 3.400 2.482 2.426 2.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 90 THR H 1 90 THR HB 3.000 . 3.700 3.840 3.818 3.852 0.152 22 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 90 THR H 1 91 GLN H 4.000 . 5.000 4.534 4.523 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 90 THR MG 1 91 GLN H 4.000 . 5.500 3.935 3.906 3.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 90 THR HA 1 91 GLN H 2.500 . 2.900 2.476 2.442 2.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 90 THR HB 1 91 GLN H 3.000 . 3.500 2.532 2.488 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 90 THR HA 1 91 GLN QE 5.000 . 7.000 6.566 6.342 6.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 91 GLN H 1 91 GLN QB 3.000 . 3.500 3.092 3.075 3.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 91 GLN H 1 92 ILE H 4.000 . 5.000 4.474 4.456 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 91 GLN QB 1 92 ILE H 3.000 . 3.500 2.681 2.601 2.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 91 GLN HA 1 92 ILE H 2.500 . 2.900 2.383 2.343 2.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 92 ILE H 1 92 ILE MG 2.500 . 3.400 2.492 2.395 2.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 92 ILE H 1 92 ILE HB 4.000 . 5.000 3.299 3.262 3.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 92 ILE H 1 93 LEU H 4.000 . 5.000 4.259 4.236 4.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 92 ILE HA 1 93 LEU H 2.500 . 2.900 2.237 2.227 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 92 ILE MD 1 93 LEU H 4.000 . 5.500 4.282 4.248 4.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 93 LEU H 1 93 LEU QB 2.500 . 2.900 2.372 2.358 2.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 93 LEU H 1 94 LEU H 4.000 . 5.000 4.407 4.368 4.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 93 LEU HG 1 94 LEU H 4.000 . 5.000 3.119 2.874 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 93 LEU HA 1 94 LEU H 2.500 . 2.900 2.172 2.170 2.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 93 LEU QD 1 94 LEU H 3.000 . 3.400 2.746 2.541 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 93 LEU QD 1 95 ASP H 4.000 . 4.000 2.755 2.691 2.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 93 LEU HG 1 95 ASP H 3.000 . 3.500 1.924 1.839 2.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 93 LEU HA 1 95 ASP H 4.000 . 6.000 3.758 3.723 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 94 LEU H 1 94 LEU QB . . 3.500 2.506 2.345 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 94 LEU H 1 94 LEU QD 3.000 . 4.000 2.781 1.752 2.933 0.048 16 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 94 LEU H 1 94 LEU HG 2.500 . 3.200 2.098 1.972 3.269 0.069 29 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 94 LEU H 1 95 ASP H 3.000 . 3.500 2.682 2.637 2.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 94 LEU QB 1 95 ASP H 4.000 . 5.000 2.782 2.752 2.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 94 LEU HA 1 95 ASP H 3.000 . 3.500 3.529 3.521 3.535 0.035 2 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 95 ASP H 1 96 SER H 4.000 . 5.000 4.422 4.330 4.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 95 ASP QB 1 96 SER H 4.000 . 5.000 3.581 3.491 3.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 95 ASP HA 1 96 SER H 3.000 . 3.500 2.226 2.209 2.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 96 SER H 1 96 SER QB 3.000 . 3.500 3.375 3.234 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 96 SER HA 1 97 GLN H 3.000 . 3.500 3.301 3.185 3.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 96 SER QB 1 97 GLN H 4.000 . 5.000 1.862 1.727 2.195 0.073 37 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 96 SER H 1 97 GLN H 4.000 . 5.000 3.905 3.879 4.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 97 GLN H 1 97 GLN QB 3.000 . 3.500 2.470 2.445 2.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 97 GLN H 1 97 GLN QG 4.000 . 5.000 2.311 2.233 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 97 GLN H 1 98 ILE H 4.000 . 5.000 3.276 3.154 3.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 97 GLN HA 1 98 ILE H 3.000 . 3.500 2.896 2.780 2.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 98 ILE H 1 98 ILE HB 3.000 . 3.500 2.840 2.722 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 98 ILE H 1 98 ILE MD 4.000 . 5.500 3.893 3.720 3.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 98 ILE H 1 98 ILE QG 4.000 . 5.000 2.665 2.600 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 98 ILE HB 1 99 ASP H 4.000 . 5.000 4.033 3.985 4.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 98 ILE MD 1 99 ASP H 4.000 . 5.500 3.792 3.489 3.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 98 ILE HA 1 99 ASP H 3.000 . 3.500 2.221 2.210 2.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 98 ILE H 1 99 ASP H 4.000 . 5.000 4.374 4.345 4.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 100 ASN HA 1 101 ASN H 3.000 . 3.500 2.214 2.212 2.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 101 ASN H 1 101 ASN QB 3.000 . 3.500 2.483 2.428 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 101 ASN QB 1 102 ASP H 4.000 . 5.000 2.480 2.394 2.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 104 GLN HA 1 105 LEU H 2.500 . 3.000 2.372 2.345 2.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 105 LEU H 1 105 LEU QB 2.500 . 3.200 2.516 2.475 2.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 106 GLU HA 1 107 ILE H 2.500 . 3.000 2.265 2.207 2.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 107 ILE HA 1 108 GLY H 2.500 . 3.000 2.373 2.309 2.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 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 481
_Distance_constraint_stats_list.Viol_count 1367
_Distance_constraint_stats_list.Viol_total 2961.700
_Distance_constraint_stats_list.Viol_max 0.180
_Distance_constraint_stats_list.Viol_rms 0.0168
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0542
_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 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 3 ASN 0.164 0.023 29 0 "[ . 1 . 2 . 3 . 4]"
1 4 PHE 8.536 0.142 2 0 "[ . 1 . 2 . 3 . 4]"
1 5 SER 0.028 0.020 10 0 "[ . 1 . 2 . 3 . 4]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 THR 2.233 0.097 13 0 "[ . 1 . 2 . 3 . 4]"
1 8 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 SER 1.059 0.059 36 0 "[ . 1 . 2 . 3 . 4]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 ILE 13.492 0.137 10 0 "[ . 1 . 2 . 3 . 4]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 TYR 1.857 0.091 39 0 "[ . 1 . 2 . 3 . 4]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 PRO 0.323 0.050 19 0 "[ . 1 . 2 . 3 . 4]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 THR 5.886 0.145 29 0 "[ . 1 . 2 . 3 . 4]"
1 19 ILE 5.046 0.147 2 0 "[ . 1 . 2 . 3 . 4]"
1 20 LEU 4.991 0.106 14 0 "[ . 1 . 2 . 3 . 4]"
1 21 SER 7.808 0.166 19 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 0.641 0.082 22 0 "[ . 1 . 2 . 3 . 4]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 CYS 0.497 0.045 10 0 "[ . 1 . 2 . 3 . 4]"
1 25 GLN 2.233 0.097 13 0 "[ . 1 . 2 . 3 . 4]"
1 26 ALA 0.018 0.014 16 0 "[ . 1 . 2 . 3 . 4]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 TRP 1.059 0.059 36 0 "[ . 1 . 2 . 3 . 4]"
1 32 LEU 0.029 0.020 37 0 "[ . 1 . 2 . 3 . 4]"
1 33 PRO 2.624 0.068 32 0 "[ . 1 . 2 . 3 . 4]"
1 34 THR 5.849 0.173 31 0 "[ . 1 . 2 . 3 . 4]"
1 35 GLU 9.772 0.173 31 0 "[ . 1 . 2 . 3 . 4]"
1 36 LEU 2.938 0.084 19 0 "[ . 1 . 2 . 3 . 4]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 LEU 6.511 0.123 28 0 "[ . 1 . 2 . 3 . 4]"
1 39 SER 3.439 0.145 29 0 "[ . 1 . 2 . 3 . 4]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 HIS 2.455 0.074 12 0 "[ . 1 . 2 . 3 . 4]"
1 42 ILE 1.580 0.092 3 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLY 0.144 0.086 34 0 "[ . 1 . 2 . 3 . 4]"
1 44 ASN 0.011 0.007 18 0 "[ . 1 . 2 . 3 . 4]"
1 45 ILE 0.108 0.037 26 0 "[ . 1 . 2 . 3 . 4]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLY 1.538 0.074 23 0 "[ . 1 . 2 . 3 . 4]"
1 49 LEU 4.769 0.180 23 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 0.464 0.056 38 0 "[ . 1 . 2 . 3 . 4]"
1 51 PHE 0.394 0.041 38 0 "[ . 1 . 2 . 3 . 4]"
1 52 GLY 1.855 0.074 12 0 "[ . 1 . 2 . 3 . 4]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 ASN 0.181 0.063 23 0 "[ . 1 . 2 . 3 . 4]"
1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 57 GLN 0.012 0.008 37 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLU 0.012 0.008 37 0 "[ . 1 . 2 . 3 . 4]"
1 59 THR 3.597 0.115 40 0 "[ . 1 . 2 . 3 . 4]"
1 60 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 0.017 0.009 29 0 "[ . 1 . 2 . 3 . 4]"
1 63 CYS 0.006 0.006 29 0 "[ . 1 . 2 . 3 . 4]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 65 LEU 0.215 0.046 14 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 3.590 0.077 34 0 "[ . 1 . 2 . 3 . 4]"
1 67 PHE 9.899 0.137 10 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLY 0.001 0.001 29 0 "[ . 1 . 2 . 3 . 4]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 72 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 73 SER 1.941 0.087 30 0 "[ . 1 . 2 . 3 . 4]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 75 TRP 0.041 0.029 1 0 "[ . 1 . 2 . 3 . 4]"
1 76 LEU 0.215 0.046 14 0 "[ . 1 . 2 . 3 . 4]"
1 77 VAL 1.286 0.072 6 0 "[ . 1 . 2 . 3 . 4]"
1 78 CYS 0.006 0.006 29 0 "[ . 1 . 2 . 3 . 4]"
1 79 THR 1.596 0.066 12 0 "[ . 1 . 2 . 3 . 4]"
1 80 CYS 0.011 0.007 18 0 "[ . 1 . 2 . 3 . 4]"
1 81 GLN 3.611 0.115 40 0 "[ . 1 . 2 . 3 . 4]"
1 82 THR 1.552 0.074 23 0 "[ . 1 . 2 . 3 . 4]"
1 83 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 87 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 88 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 90 THR 1.579 0.066 12 0 "[ . 1 . 2 . 3 . 4]"
1 91 GLN 5.975 0.180 23 0 "[ . 1 . 2 . 3 . 4]"
1 92 ILE 1.789 0.059 25 0 "[ . 1 . 2 . 3 . 4]"
1 93 LEU 1.913 0.087 30 0 "[ . 1 . 2 . 3 . 4]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 97 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 98 ILE 1.875 0.110 11 0 "[ . 1 . 2 . 3 . 4]"
1 99 ASP 3.843 0.142 2 0 "[ . 1 . 2 . 3 . 4]"
1 100 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 101 ASN 0.010 0.010 21 0 "[ . 1 . 2 . 3 . 4]"
1 102 ASP 0.018 0.014 16 0 "[ . 1 . 2 . 3 . 4]"
1 103 SER 0.497 0.045 10 0 "[ . 1 . 2 . 3 . 4]"
1 104 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 105 LEU 0.017 0.017 40 0 "[ . 1 . 2 . 3 . 4]"
1 106 GLU 0.010 0.010 21 0 "[ . 1 . 2 . 3 . 4]"
1 107 ILE 0.156 0.058 17 0 "[ . 1 . 2 . 3 . 4]"
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 MET HA 1 1 MET ME 5.000 . 7.000 4.147 2.531 5.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 1 MET HA 1 2 PRO QD 2.500 . 2.700 2.087 2.040 2.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 1 MET HA 1 2 PRO QG 4.000 . 5.000 4.028 3.984 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 1 MET QB 1 2 PRO QD 3.000 . 3.300 2.168 2.081 2.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 2 PRO QB 1 2 PRO QD 3.000 . 3.300 2.941 2.935 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 2 PRO HA 1 2 PRO QD 4.000 . 5.000 2.829 2.805 2.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 2 PRO HA 1 2 PRO QG 3.000 . 3.300 2.659 2.649 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 3 ASN HA 1 99 ASP HA 3.000 . 3.500 2.458 2.281 2.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 3 ASN HA 1 99 ASP QB 3.000 . 3.500 3.367 2.941 3.523 0.023 29 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 4 PHE HA 1 5 SER H 3.000 . 3.500 3.119 3.010 3.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 4 PHE QD 1 8 CYS QB 4.000 . 5.000 3.312 2.962 3.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 4 PHE QE 1 11 ILE QG 4.000 . 5.000 3.369 2.868 3.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 4 PHE QD 1 11 ILE MG 5.000 . 7.000 4.024 3.725 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 4 PHE QE 1 11 ILE MG 2.500 . 3.200 2.882 2.572 3.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 4 PHE QE 1 11 ILE MD 2.500 . 3.200 2.616 2.347 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 4 PHE QD 1 11 ILE MD 2.500 . 3.200 3.282 3.232 3.320 0.120 10 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 4 PHE QE 1 20 LEU QD 4.000 . 5.000 3.566 3.260 3.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 4 PHE QD 1 22 ALA MB 4.000 . 6.000 3.785 3.516 4.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 4 PHE QE 1 22 ALA MB 4.000 . 6.000 4.702 4.250 5.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 4 PHE QE 1 36 LEU QD 3.500 . 4.500 4.533 4.262 4.584 0.084 19 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 4 PHE HZ 1 94 LEU QB 3.000 . 3.500 2.672 2.218 3.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 4 PHE QE 1 94 LEU QB 4.000 . 5.000 3.266 2.714 3.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 4 PHE QB 1 98 ILE MG 4.000 . 6.000 4.731 4.317 5.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 4 PHE HA 1 99 ASP HA 4.000 . 5.000 5.092 5.055 5.142 0.142 2 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 4 PHE QB 1 100 ASN QB 3.000 . 3.500 2.274 2.214 2.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 5 SER QB 1 73 SER HA 4.000 . 4.500 4.276 3.972 4.520 0.020 10 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 6 HIS QB 1 7 THR MG 4.000 . 5.000 3.056 2.901 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 6 HIS HA 1 7 THR MG 4.000 . 5.000 4.805 4.725 4.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 7 THR HB 1 25 GLN QB 4.000 . 5.000 5.056 4.994 5.097 0.097 13 0 "[ . 1 . 2 . 3 . 4]" 2
30 1 8 CYS QB 1 11 ILE QG 3.500 . 4.000 3.924 3.782 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 8 CYS QB 1 11 ILE MG 5.000 . 7.000 5.363 5.204 5.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 8 CYS QB 1 11 ILE MD 4.000 2.800 5.000 4.661 4.522 4.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 8 CYS QB 1 22 ALA MB 2.500 . 3.200 2.192 2.104 2.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 8 CYS HA 1 31 TRP HZ3 4.000 . 5.000 4.052 3.849 4.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 8 CYS SG 1 24 CYS SG 2.000 . 2.200 2.020 2.019 2.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 8 CYS HA 1 24 CYS HA 2.500 . 3.200 2.351 2.274 2.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 9 SER HA 1 11 ILE MD 5.000 . 7.000 4.374 4.294 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 9 SER HA 1 11 ILE QG 4.000 . 5.000 3.410 3.347 3.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 9 SER QB 1 23 GLU QB 4.000 . 5.000 3.791 3.505 4.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 9 SER QB 1 31 TRP HZ3 3.000 . 3.500 3.526 3.505 3.559 0.059 36 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 10 SER QB 1 11 ILE H 4.000 . 5.000 3.902 3.900 3.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
42 1 10 SER QB 1 23 GLU QB 4.000 . 5.000 3.552 3.204 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
43 1 10 SER QB 1 23 GLU QG 4.000 . 6.000 5.541 5.159 5.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
44 1 11 ILE HA 1 11 ILE QG 3.000 . 3.500 2.411 2.396 2.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
45 1 11 ILE HA 1 11 ILE MG 2.500 . 3.200 2.362 2.303 2.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
46 1 11 ILE HB 1 11 ILE MD 2.500 . 3.200 2.313 2.232 2.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
47 1 11 ILE HA 1 11 ILE MD 4.000 . 5.000 3.813 3.796 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
48 1 11 ILE H 1 11 ILE MD 4.000 . 5.000 3.467 3.400 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
49 1 11 ILE MG 1 12 ASN HA 4.000 . 5.500 3.732 3.653 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
50 1 11 ILE MG 1 20 LEU QD 2.500 . 3.200 2.620 2.493 2.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
51 1 11 ILE HB 1 20 LEU QD 4.000 . 5.000 5.045 4.920 5.106 0.106 14 0 "[ . 1 . 2 . 3 . 4]" 2
52 1 11 ILE HB 1 22 ALA MB 4.000 2.800 6.000 5.051 4.902 5.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
53 1 11 ILE MG 1 22 ALA MB 3.000 . 3.500 3.498 3.363 3.582 0.082 22 0 "[ . 1 . 2 . 3 . 4]" 2
54 1 11 ILE HA 1 22 ALA MB 2.500 . 3.200 2.640 2.394 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
55 1 11 ILE HA 1 22 ALA HA 4.000 . 5.000 3.573 3.311 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
56 1 11 ILE MG 1 65 LEU QD 4.000 . 5.000 2.436 2.240 2.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
57 1 11 ILE MG 1 67 PHE QE 4.000 . 4.500 4.383 4.284 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
58 1 11 ILE MG 1 67 PHE QD 4.500 2.300 5.800 5.842 5.741 5.894 0.094 40 0 "[ . 1 . 2 . 3 . 4]" 2
59 1 11 ILE HB 1 67 PHE QE 3.000 . 3.500 3.577 3.521 3.628 0.128 1 0 "[ . 1 . 2 . 3 . 4]" 2
60 1 11 ILE MD 1 67 PHE QE 3.000 . 3.500 3.265 3.094 3.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
61 1 11 ILE MD 1 67 PHE QD 4.000 2.800 4.500 4.569 4.508 4.637 0.137 10 0 "[ . 1 . 2 . 3 . 4]" 2
62 1 12 ASN QB 1 13 TYR H 4.000 . 5.000 3.510 3.450 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
63 1 12 ASN HA 1 13 TYR HA 4.000 . 5.000 4.518 4.509 4.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
64 1 12 ASN HA 1 65 LEU QD 4.000 2.800 5.000 3.850 3.420 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
65 1 13 TYR QB 1 13 TYR QD 2.500 . 3.200 2.135 2.134 2.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
66 1 13 TYR HA 1 13 TYR QD 3.000 . 3.500 2.737 2.625 2.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
67 1 13 TYR QB 1 13 TYR QE 4.000 . 5.000 3.944 3.943 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
68 1 13 TYR HA 1 13 TYR QE 4.000 . 5.000 4.629 4.563 4.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
69 1 13 TYR QE 1 15 PRO QB 3.000 . 3.500 2.791 2.527 3.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
70 1 13 TYR QD 1 15 PRO QB 4.000 . 5.000 3.839 3.655 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
71 1 13 TYR QD 1 15 PRO QD 3.000 . 3.500 3.469 3.304 3.550 0.050 19 0 "[ . 1 . 2 . 3 . 4]" 2
72 1 13 TYR QE 1 15 PRO QD 4.000 . 5.000 4.151 3.872 4.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
73 1 13 TYR QD 1 15 PRO QG 4.000 . 5.000 4.411 3.161 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
74 1 13 TYR QE 1 15 PRO QG 4.000 . 5.000 4.310 2.818 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
75 1 13 TYR QE 1 15 PRO HA 2.500 . 3.200 2.392 2.258 2.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
76 1 13 TYR QD 1 15 PRO HA 4.000 . 5.000 3.822 3.573 3.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
77 1 13 TYR QE 1 18 THR HA 3.000 . 3.500 2.897 2.272 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
78 1 13 TYR QD 1 18 THR HA 4.000 . 5.000 3.998 3.535 4.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
79 1 13 TYR QD 1 20 LEU HA 3.000 . 3.500 3.528 3.339 3.591 0.091 39 0 "[ . 1 . 2 . 3 . 4]" 2
80 1 13 TYR QB 1 20 LEU HA 4.000 . 5.000 3.847 3.378 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
81 1 13 TYR QD 1 20 LEU QB 4.000 . 5.000 4.281 4.202 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
82 1 13 TYR QD 1 20 LEU QD 3.000 . 3.500 2.330 2.025 2.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
83 1 13 TYR QB 1 20 LEU QD 2.500 . 3.200 2.119 2.048 2.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
84 1 13 TYR QE 1 20 LEU QD 5.000 . 7.000 3.760 3.485 4.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
85 1 13 TYR HA 1 20 LEU QD 3.000 . 3.500 2.609 2.249 3.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
86 1 13 TYR QD 1 38 LEU QD 3.000 . 3.500 3.275 2.915 3.521 0.021 17 0 "[ . 1 . 2 . 3 . 4]" 2
87 1 13 TYR QE 1 38 LEU QD 3.000 . 3.500 2.609 2.184 3.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
88 1 13 TYR QB 1 65 LEU QD 2.500 . 3.200 1.868 1.839 1.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
89 1 13 TYR QB 1 65 LEU HG 3.000 . 3.500 2.672 2.456 3.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
90 1 13 TYR QD 1 65 LEU QD 4.000 . 5.000 3.185 3.035 3.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
91 1 14 ASP HA 1 15 PRO QB 5.000 . 7.000 4.629 4.615 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
92 1 14 ASP HA 1 15 PRO QD 2.500 . 3.200 1.960 1.911 1.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
93 1 14 ASP QB 1 15 PRO QD 3.000 . 3.500 3.001 2.857 3.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
94 1 14 ASP HA 1 15 PRO QG 4.000 . 5.000 3.881 3.840 3.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
95 1 14 ASP QB 1 19 ILE MD 4.000 . 6.000 3.932 3.769 4.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
96 1 14 ASP QB 1 19 ILE HB 4.000 . 5.000 3.419 3.216 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
97 1 14 ASP H 1 20 LEU HA 4.000 . 5.000 4.105 3.936 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
98 1 15 PRO QB 1 15 PRO QD 2.500 . 3.200 2.850 2.847 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
99 1 15 PRO HA 1 18 THR HA 4.000 . 5.000 3.669 3.587 3.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
100 1 15 PRO QB 1 63 CYS QB 4.000 . 5.000 3.076 2.520 3.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
101 1 17 SER H 1 18 THR HA 4.000 . 5.000 4.796 4.776 4.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
102 1 17 SER QB 1 19 ILE MD 2.500 . 3.200 2.329 2.257 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
103 1 17 SER QB 1 19 ILE QG 3.000 . 3.500 2.806 2.741 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
104 1 17 SER QB 1 19 ILE HB 4.000 . 5.000 4.378 4.095 4.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
105 1 18 THR HA 1 18 THR MG 2.500 . 3.200 2.592 2.516 2.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
106 1 18 THR HA 1 19 ILE H 3.000 . 3.500 2.588 2.506 2.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
107 1 18 THR HB 1 38 LEU QB 3.000 . 3.500 3.566 3.534 3.623 0.123 28 0 "[ . 1 . 2 . 3 . 4]" 2
108 1 18 THR MG 1 39 SER QB 3.000 . 3.500 3.581 3.521 3.645 0.145 29 0 "[ . 1 . 2 . 3 . 4]" 2
109 1 18 THR MG 1 57 GLN QG 3.000 . 3.500 2.519 2.302 2.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
110 1 18 THR MG 1 57 GLN H 3.000 . 4.000 3.784 3.602 3.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
111 1 18 THR MG 1 57 GLN QE 5.000 . 7.000 3.920 3.601 4.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
112 1 19 ILE HA 1 19 ILE MD 4.000 . 5.000 3.854 3.819 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
113 1 19 ILE HB 1 19 ILE MD 2.500 . 3.200 2.222 2.185 2.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
114 1 19 ILE HA 1 19 ILE QG 3.000 . 3.500 2.430 2.375 2.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
115 1 19 ILE HA 1 19 ILE MG 2.500 . 3.200 2.350 2.314 2.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
116 1 19 ILE H 1 19 ILE MG 4.000 . 5.000 3.868 3.839 3.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
117 1 19 ILE HA 1 20 LEU QB 4.000 . 5.000 4.282 4.253 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
118 1 19 ILE MG 1 21 SER QB 2.500 . 3.200 3.274 3.235 3.347 0.147 2 0 "[ . 1 . 2 . 3 . 4]" 2
119 1 19 ILE MG 1 21 SER HA 4.000 . 5.000 4.011 3.923 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
120 1 19 ILE MG 1 35 GLU HA 3.000 . 3.500 3.144 3.017 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
121 1 19 ILE MG 1 35 GLU QG 3.000 . 4.000 3.125 3.002 3.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
122 1 19 ILE MD 1 37 ARG QD 3.000 . 3.500 3.121 2.566 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
123 1 19 ILE MD 1 37 ARG QB 4.000 . 5.000 4.556 3.587 4.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
124 1 19 ILE HA 1 37 ARG HA 2.500 . 3.200 2.629 2.465 2.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
125 1 19 ILE HA 1 38 LEU H 3.000 . 3.700 3.724 3.127 3.820 0.120 17 0 "[ . 1 . 2 . 3 . 4]" 2
126 1 20 LEU HA 1 20 LEU QD 2.500 . 3.200 2.132 2.086 2.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
127 1 20 LEU H 1 20 LEU HG 4.000 . 5.000 3.052 2.909 3.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
128 1 20 LEU HA 1 20 LEU HG 4.000 . 5.000 2.604 2.484 2.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
129 1 20 LEU QB 1 20 LEU QD 2.500 . 3.200 1.895 1.886 1.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
130 1 20 LEU H 1 20 LEU QD 3.000 . 4.000 3.444 3.360 3.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
131 1 20 LEU QD 1 22 ALA MB 4.000 . 5.000 4.281 4.179 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
132 1 20 LEU QB 1 22 ALA MB 4.000 . 5.000 4.221 4.147 4.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
133 1 20 LEU QB 1 36 LEU QB 3.000 . 3.500 2.243 2.228 2.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
134 1 20 LEU QD 1 36 LEU QB 5.000 . 7.000 3.287 3.197 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
135 1 20 LEU H 1 36 LEU O 2.500 . 2.800 1.771 1.728 1.817 0.072 35 0 "[ . 1 . 2 . 3 . 4]" 2
136 1 20 LEU O 1 36 LEU H 2.500 . 2.800 2.250 2.144 2.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
137 1 20 LEU QB 1 38 LEU HG 4.000 . 5.000 3.883 3.699 4.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
138 1 20 LEU QD 1 38 LEU QD 3.000 . 3.500 1.799 1.761 1.908 0.039 23 0 "[ . 1 . 2 . 3 . 4]" 2
139 1 20 LEU QD 1 65 LEU QB 5.000 . 7.000 4.767 4.543 5.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
140 1 20 LEU QD 1 65 LEU QD 3.000 . 3.500 2.343 2.106 2.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
141 1 20 LEU QD 1 94 LEU QD 5.000 . 7.000 2.195 2.019 2.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
142 1 21 SER HA 1 22 ALA MB 5.000 . 7.000 3.918 3.878 3.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
143 1 21 SER QB 1 35 GLU QB 4.000 . 5.000 4.288 4.126 4.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
144 1 21 SER QB 1 35 GLU QG 3.000 . 3.500 2.873 2.783 3.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
145 1 21 SER QB 1 35 GLU HA 3.000 . 3.500 3.621 3.576 3.666 0.166 19 0 "[ . 1 . 2 . 3 . 4]" 2
146 1 21 SER HA 1 35 GLU QG 4.000 . 5.000 3.270 3.053 3.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
147 1 21 SER HA 1 35 GLU HA 2.500 . 3.200 2.505 2.326 2.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
148 1 21 SER HA 1 35 GLU QB 4.000 . 5.000 4.331 4.115 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
149 1 22 ALA MB 1 35 GLU HA 5.000 . 6.000 5.417 5.169 5.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
150 1 23 GLU HA 1 23 GLU QG 3.000 . 3.500 2.317 2.304 2.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
151 1 23 GLU QB 1 31 TRP QB 5.000 . 7.000 4.030 3.972 4.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
152 1 23 GLU QB 1 31 TRP HE3 3.000 . 3.500 3.240 3.090 3.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
153 1 23 GLU QG 1 31 TRP HE3 3.000 . 3.500 2.256 2.223 2.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
154 1 23 GLU HA 1 31 TRP HE3 4.000 . 5.000 4.808 4.630 4.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
155 1 23 GLU HA 1 33 PRO QB 4.000 . 5.000 4.006 3.790 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
156 1 23 GLU HA 1 33 PRO HA 2.500 . 3.200 2.311 2.249 2.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
157 1 24 CYS H 1 24 CYS QB 3.000 . 3.500 2.678 2.616 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
158 1 24 CYS HA 1 31 TRP HE3 4.000 . 5.000 4.010 3.885 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
159 1 24 CYS HA 1 31 TRP HZ3 4.000 . 5.000 4.197 4.015 4.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
160 1 24 CYS QB 1 32 LEU QB 4.000 . 5.000 4.372 4.120 4.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
161 1 24 CYS QB 1 103 SER HA 4.000 . 5.000 4.888 4.479 5.045 0.045 10 0 "[ . 1 . 2 . 3 . 4]" 2
162 1 25 GLN HA 1 25 GLN QG 3.000 . 3.500 2.339 2.290 2.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
163 1 25 GLN QB 1 26 ALA HA 4.000 . 5.000 4.724 4.704 4.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
164 1 25 GLN HA 1 26 ALA MB 4.000 . 5.000 4.038 4.017 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
165 1 25 GLN QG 1 29 GLY QA 4.000 . 5.000 2.453 2.200 2.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
166 1 25 GLN QB 1 31 TRP HZ3 4.000 . 5.000 4.086 3.781 4.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
167 1 25 GLN HA 1 31 TRP HA 2.500 . 3.200 2.262 2.238 2.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
168 1 25 GLN QG 1 31 TRP HA 4.000 . 5.000 3.692 3.501 4.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
169 1 26 ALA HA 1 27 ARG QG 4.000 . 6.000 3.728 3.675 3.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
170 1 26 ALA MB 1 30 GLU QB 3.000 . 3.500 2.540 2.288 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
171 1 26 ALA MB 1 30 GLU QG 4.000 . 5.000 3.947 3.782 4.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
172 1 26 ALA HA 1 103 SER QB 3.000 . 4.000 3.313 2.677 3.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
173 1 26 ALA HA 1 102 ASP HA 4.000 . 5.000 3.894 3.342 4.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
174 1 26 ALA HA 1 102 ASP QB 3.000 . 3.500 2.918 2.261 3.514 0.014 16 0 "[ . 1 . 2 . 3 . 4]" 2
175 1 27 ARG QB 1 27 ARG QD 2.500 . 3.200 2.129 2.125 2.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
176 1 27 ARG HA 1 27 ARG QG 3.000 . 3.500 2.335 2.307 2.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
177 1 27 ARG HA 1 28 ASP H 4.000 . 5.000 3.517 3.495 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
178 1 27 ARG QG 1 102 ASP QB 3.000 . 3.500 1.979 1.925 2.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
179 1 30 GLU HA 1 30 GLU QG 3.000 . 3.500 2.334 2.302 2.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
180 1 30 GLU H 1 30 GLU QG 4.000 . 5.000 2.566 2.282 2.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
181 1 30 GLU HA 1 31 TRP HD1 4.000 . 5.000 3.287 3.081 3.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
182 1 30 GLU QB 1 32 LEU QD 3.000 . 3.500 2.895 2.282 3.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
183 1 30 GLU QG 1 32 LEU QD 5.000 . 6.000 4.491 4.062 4.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
184 1 31 TRP QB 1 31 TRP HE3 3.000 . 3.300 2.478 2.450 2.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
185 1 31 TRP HA 1 31 TRP HE3 4.000 . 5.000 3.521 3.186 3.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
186 1 31 TRP HA 1 32 LEU QB 4.000 . 5.000 4.473 4.306 4.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
187 1 32 LEU HA 1 32 LEU QD 2.500 . 3.200 2.274 2.074 3.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
188 1 32 LEU QB 1 32 LEU QD 2.500 . 3.200 1.893 1.872 1.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
189 1 32 LEU HA 1 33 PRO QD 2.500 . 3.000 1.962 1.920 2.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
190 1 32 LEU HA 1 33 PRO QG 4.000 . 5.000 3.932 3.857 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
191 1 32 LEU QD 1 33 PRO QD 3.000 . 3.500 2.726 2.035 3.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
192 1 32 LEU QB 1 33 PRO QD 3.000 . 3.500 2.608 2.077 3.520 0.020 37 0 "[ . 1 . 2 . 3 . 4]" 2
193 1 33 PRO QB 1 33 PRO QD 3.000 . 3.500 2.893 2.853 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
194 1 33 PRO HA 1 33 PRO QD 3.000 . 3.500 3.450 3.233 3.568 0.068 32 0 "[ . 1 . 2 . 3 . 4]" 2
195 1 33 PRO HA 1 34 THR MG 4.000 . 5.500 5.523 5.513 5.537 0.037 28 0 "[ . 1 . 2 . 3 . 4]" 2
196 1 34 THR HA 1 34 THR MG 2.500 . 3.200 2.357 2.299 2.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
197 1 34 THR HA 1 35 GLU QB 4.000 . 5.000 4.403 4.375 4.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
198 1 34 THR MG 1 35 GLU HA 3.000 . 3.500 3.623 3.580 3.673 0.173 31 0 "[ . 1 . 2 . 3 . 4]" 2
199 1 34 THR HA 1 35 GLU QG 5.000 . 7.000 3.520 3.454 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
200 1 34 THR MG 1 105 LEU QD 3.000 . 4.000 2.047 1.811 2.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
201 1 35 GLU HA 1 36 LEU QB 4.000 . 5.000 4.060 4.045 4.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
202 1 35 GLU HA 1 36 LEU QD 5.000 . 6.000 5.152 5.120 5.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
203 1 36 LEU HA 1 36 LEU HG 4.000 . 5.000 2.901 2.679 3.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
204 1 36 LEU H 1 36 LEU HG 4.000 . 5.000 4.511 4.474 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
205 1 36 LEU HA 1 36 LEU QD 2.500 . 3.200 2.122 2.051 2.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
206 1 36 LEU QD 1 37 ARG HA 4.000 . 5.000 4.412 4.113 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
207 1 36 LEU QB 1 38 LEU HG 4.000 . 5.000 4.523 4.210 4.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
208 1 36 LEU QD 1 38 LEU HG 5.000 . 7.000 3.919 3.475 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
209 1 36 LEU QD 1 105 LEU QD 2.500 . 3.200 1.932 1.783 2.111 0.017 40 0 "[ . 1 . 2 . 3 . 4]" 2
210 1 36 LEU QD 1 106 GLU HA 5.000 . 6.000 4.360 3.773 4.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
211 1 36 LEU QD 1 107 ILE MD 4.000 2.800 4.500 3.803 3.048 4.558 0.058 17 0 "[ . 1 . 2 . 3 . 4]" 2
212 1 37 ARG QB 1 37 ARG QD 3.000 . 3.500 2.223 2.210 2.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
213 1 37 ARG HA 1 37 ARG QG 3.000 . 3.500 2.552 2.516 2.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
214 1 37 ARG HA 1 37 ARG QD 4.000 . 5.000 2.174 2.126 2.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
215 1 37 ARG HA 1 38 LEU HG 4.000 . 5.000 4.047 3.962 4.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
216 1 37 ARG HE 1 39 SER QB 4.000 . 5.000 4.423 4.005 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
217 1 37 ARG HA 1 39 SER H 3.000 . 4.000 3.851 3.817 3.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
218 1 38 LEU QB 1 38 LEU QD 2.500 . 3.200 1.910 1.892 1.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
219 1 38 LEU HA 1 38 LEU QD 3.000 . 3.500 2.039 2.023 2.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
220 1 38 LEU QB 1 38 LEU MD1 2.500 . 3.200 2.076 2.056 2.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
221 1 38 LEU HA 1 38 LEU HG 4.000 . 5.000 3.047 2.650 3.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
222 1 38 LEU QD 1 41 HIS QB 5.000 . 6.000 3.762 3.607 3.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
223 1 38 LEU HA 1 41 HIS QB 4.000 . 5.000 3.823 3.621 4.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
224 1 38 LEU QD 1 42 ILE MD 4.000 . 5.000 2.578 2.064 3.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
225 1 38 LEU HA 1 42 ILE MD 5.000 . 6.000 4.215 3.814 5.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
226 1 38 LEU QB 1 42 ILE MD 3.000 . 3.500 2.472 1.972 3.592 0.092 3 0 "[ . 1 . 2 . 3 . 4]" 2
227 1 38 LEU QB 1 56 PHE QE 4.000 . 5.000 2.972 2.756 3.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
228 1 38 LEU QD 1 94 LEU QD 3.000 . 3.500 2.179 1.967 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
229 1 38 LEU QD 1 98 ILE MD 3.000 . 4.000 4.007 3.720 4.110 0.110 11 0 "[ . 1 . 2 . 3 . 4]" 2
230 1 39 SER QB 1 55 ASN HA 3.000 . 3.500 3.431 3.295 3.563 0.063 23 0 "[ . 1 . 2 . 3 . 4]" 2
231 1 39 SER HA 1 55 ASN HA 4.000 . 5.000 4.633 4.403 4.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
232 1 39 SER HA 1 56 PHE QE 4.000 . 5.000 2.328 2.273 2.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
233 1 39 SER HA 1 56 PHE QD 3.000 . 3.500 2.280 2.232 2.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
234 1 39 SER HA 1 57 GLN QE 4.000 . 5.000 3.715 2.878 4.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
235 1 40 ASP QB 1 41 HIS HD2 5.000 . 6.000 5.478 5.323 5.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
236 1 41 HIS QB 1 41 HIS HD2 3.000 . 3.300 2.729 2.697 2.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
237 1 41 HIS QB 1 42 ILE QG 4.000 . 5.000 3.068 2.973 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
238 1 41 HIS QB 1 42 ILE MD 4.000 . 5.000 3.884 2.960 4.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
239 1 41 HIS HD2 1 52 GLY QA 3.000 . 3.500 3.546 3.513 3.574 0.074 12 0 "[ . 1 . 2 . 3 . 4]" 2
240 1 41 HIS HD2 1 98 ILE MD 4.000 . 5.000 4.993 4.759 5.057 0.057 38 0 "[ . 1 . 2 . 3 . 4]" 2
241 1 41 HIS HD1 1 107 ILE MD 4.000 . 6.000 3.258 2.514 3.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
242 1 42 ILE HB 1 42 ILE MD 2.500 . 3.200 2.652 2.291 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
243 1 42 ILE H 1 42 ILE MG 4.000 . 5.500 3.929 3.905 3.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
244 1 42 ILE HA 1 42 ILE MG 2.500 . 3.200 2.381 2.260 2.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
245 1 42 ILE HA 1 42 ILE MD 3.300 2.100 3.800 3.205 2.041 3.814 0.059 11 0 "[ . 1 . 2 . 3 . 4]" 2
246 1 42 ILE MG 1 43 GLY QA 3.000 . 3.500 3.444 3.379 3.586 0.086 34 0 "[ . 1 . 2 . 3 . 4]" 2
247 1 42 ILE MG 1 49 LEU QB 2.500 . 3.200 3.024 2.903 3.206 0.006 35 0 "[ . 1 . 2 . 3 . 4]" 2
248 1 42 ILE QG 1 51 PHE QD 4.000 . 5.000 3.577 2.986 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
249 1 42 ILE MG 1 51 PHE HA 4.000 . 5.000 4.429 4.103 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
250 1 42 ILE MG 1 51 PHE QD 4.000 . 5.500 5.005 4.755 5.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
251 1 42 ILE HA 1 51 PHE HA 3.000 . 3.500 3.314 3.128 3.529 0.029 25 0 "[ . 1 . 2 . 3 . 4]" 2
252 1 42 ILE MD 1 51 PHE HA 4.000 . 5.000 4.175 2.647 4.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
253 1 42 ILE MD 1 51 PHE QD 4.000 . 5.000 3.708 2.553 4.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
254 1 42 ILE MD 1 51 PHE QE 3.000 . 3.500 3.253 2.630 3.541 0.041 38 0 "[ . 1 . 2 . 3 . 4]" 2
255 1 42 ILE HB 1 56 PHE QD 4.000 . 5.000 2.624 2.284 2.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
256 1 42 ILE HB 1 56 PHE QB 4.000 . 5.000 3.720 3.510 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
257 1 42 ILE MG 1 56 PHE QB 2.500 . 3.200 2.343 2.161 2.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
258 1 42 ILE HB 1 76 LEU QD 5.000 . 7.000 5.176 4.969 5.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
259 1 42 ILE MD 1 76 LEU QD 4.000 . 5.000 3.135 2.600 4.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
260 1 42 ILE MG 1 92 ILE MD 3.000 . 3.500 3.409 3.213 3.548 0.048 25 0 "[ . 1 . 2 . 3 . 4]" 2
261 1 42 ILE MD 1 94 LEU QD 4.000 . 5.000 3.340 2.906 4.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
262 1 43 GLY QA 1 53 ASP QB . . 3.500 2.043 1.984 2.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
263 1 43 GLY H 1 53 ASP QB 4.000 . 5.000 2.243 1.885 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
264 1 43 GLY QA 1 56 PHE QB 3.000 . 3.500 2.183 2.164 2.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
265 1 43 GLY QA 1 56 PHE HA 4.000 . 5.000 3.291 3.146 3.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
266 1 44 ASN QB 1 56 PHE HA 3.000 . 3.800 3.187 3.060 3.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
267 1 44 ASN QD 1 80 CYS QB 2.500 . 2.700 1.838 1.793 1.895 0.007 18 0 "[ . 1 . 2 . 3 . 4]" 2
268 1 45 ILE HA 1 45 ILE MD 2.500 . 3.200 2.184 2.090 2.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
269 1 45 ILE HB 1 45 ILE MD 2.500 . 3.200 2.204 2.165 2.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
270 1 45 ILE H 1 45 ILE MD 4.000 . 5.000 4.389 4.294 4.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
271 1 45 ILE HA 1 45 ILE QG 3.000 . 3.300 2.687 2.590 3.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
272 1 45 ILE HA 1 45 ILE MG 2.500 . 3.200 3.176 3.171 3.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
273 1 45 ILE MG 1 46 ASP QB 4.000 . 5.000 3.507 3.446 3.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
274 1 45 ILE MD 1 50 GLN QB 5.000 . 7.000 5.088 4.603 5.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
275 1 45 ILE QG 1 50 GLN QG 4.000 . 5.000 4.281 4.139 4.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
276 1 45 ILE QG 1 50 GLN QB 4.000 . 5.000 4.538 4.272 4.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
277 1 45 ILE MD 1 50 GLN QG 4.000 . 5.500 4.150 3.762 4.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
278 1 45 ILE MD 1 50 GLN QE 3.000 . 3.500 3.133 2.398 3.537 0.037 26 0 "[ . 1 . 2 . 3 . 4]" 2
279 1 46 ASP HA 1 47 GLY QA 4.000 . 5.000 4.100 4.094 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
280 1 46 ASP QB 1 83 MET QG 4.000 . 5.000 3.739 3.703 3.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
281 1 46 ASP HA 1 83 MET QG 2.500 . 3.200 2.213 2.204 2.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
282 1 46 ASP HA 1 83 MET H 3.000 . 3.500 3.348 3.283 3.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
283 1 46 ASP HA 1 83 MET ME 4.000 . 5.000 4.913 4.858 4.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
284 1 47 GLY QA 1 80 CYS QB 3.000 . 3.500 2.929 2.822 3.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
285 1 47 GLY QA 1 82 THR HA 4.000 . 5.000 2.590 2.517 2.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
286 1 47 GLY QA 1 82 THR MG 2.500 . 3.200 2.560 2.260 2.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
287 1 47 GLY H 1 82 THR HA 3.000 . 3.700 3.738 3.718 3.774 0.074 23 0 "[ . 1 . 2 . 3 . 4]" 2
288 1 49 LEU HA 1 49 LEU HG 4.000 . 5.000 2.950 2.895 3.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
289 1 49 LEU HA 1 49 LEU QD 2.500 . 3.200 2.133 2.038 2.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
290 1 49 LEU QD 1 56 PHE HA 4.000 . 5.000 4.285 4.210 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
291 1 49 LEU QD 1 56 PHE QD 3.000 . 3.800 2.799 2.463 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
292 1 49 LEU QD 1 56 PHE QB 3.000 . 3.500 2.559 2.502 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
293 1 49 LEU QD 1 60 CYS QB 4.000 . 5.500 3.529 3.470 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
294 1 49 LEU QD 1 78 CYS HA 4.000 . 5.500 4.506 4.420 4.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
295 1 49 LEU QD 1 78 CYS QB 3.000 . 3.700 2.130 2.092 2.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
296 1 49 LEU HG 1 90 THR MG 2.500 . 3.200 2.805 2.689 3.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
297 1 49 LEU QD 1 90 THR MG 2.500 . 3.700 3.192 3.142 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
298 1 49 LEU QD 1 91 GLN HA 3.000 . 3.800 3.919 3.882 3.980 0.180 23 0 "[ . 1 . 2 . 3 . 4]" 2
299 1 49 LEU QD 1 92 ILE HB 3.000 . 3.500 3.300 3.166 3.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
300 1 49 LEU QD 1 92 ILE MG 4.000 . 7.000 3.132 2.791 3.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
301 1 49 LEU QB 1 92 ILE MD 3.000 . 3.500 2.620 2.456 2.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
302 1 49 LEU QB 1 92 ILE HB 3.000 . 3.500 3.196 3.008 3.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
303 1 50 GLN HA 1 51 PHE QB 4.000 . 5.000 4.457 4.439 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
304 1 50 GLN HA 1 92 ILE MD 2.500 . 3.200 3.177 3.036 3.256 0.056 38 0 "[ . 1 . 2 . 3 . 4]" 2
305 1 51 PHE QB 1 51 PHE QE 4.000 . 5.000 3.968 3.966 3.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
306 1 51 PHE HA 1 51 PHE QD 3.000 . 3.300 2.634 2.532 2.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
307 1 51 PHE QE 1 92 ILE QG 4.000 . 5.000 2.773 2.662 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
308 1 51 PHE QE 1 92 ILE MG 4.000 . 4.500 4.232 4.147 4.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
309 1 51 PHE HA 1 92 ILE MD 4.000 . 4.500 4.363 4.226 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
310 1 51 PHE QE 1 92 ILE MD 2.500 . 3.200 2.611 2.550 2.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
311 1 51 PHE QD 1 92 ILE MD 4.000 2.800 5.000 3.323 3.280 3.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
312 1 55 ASN QB 1 58 GLU QB 4.000 . 5.000 3.625 3.458 3.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
313 1 55 ASN QB 1 58 GLU QG 3.500 . 4.000 3.795 3.439 3.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
314 1 55 ASN QB 1 57 GLN QE 4.000 . 6.000 3.737 3.599 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
315 1 56 PHE HA 1 57 GLN H 4.000 . 5.000 3.590 3.582 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
316 1 57 GLN HA 1 57 GLN QG 3.500 2.300 4.000 3.473 3.460 3.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
317 1 57 GLN HA 1 60 CYS QB 3.000 . 3.300 2.461 2.390 2.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
318 1 57 GLN QE 1 58 GLU QG 3.000 . 3.500 2.053 1.792 2.632 0.008 37 0 "[ . 1 . 2 . 3 . 4]" 2
319 1 58 GLU HA 1 58 GLU QG 3.000 . 3.300 2.351 2.339 2.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
320 1 58 GLU QB 1 59 THR MG 3.000 . 3.800 2.641 2.547 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
321 1 58 GLU HA 1 59 THR MG 4.000 . 5.500 4.357 4.202 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
322 1 59 THR HA 1 59 THR MG 2.500 . 3.200 2.411 2.331 2.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
323 1 59 THR HB 1 81 GLN QB 2.500 . 2.700 2.790 2.760 2.815 0.115 40 0 "[ . 1 . 2 . 3 . 4]" 2
324 1 60 CYS QB 1 80 CYS HA 4.000 . 5.000 2.725 2.672 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
325 1 60 CYS HA 1 80 CYS QB 4.000 . 5.000 4.309 4.292 4.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
326 1 60 CYS HA 1 80 CYS HA 2.500 . 2.700 2.179 2.157 2.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
327 1 60 CYS SG 1 80 CYS SG 2.000 . 2.200 2.021 2.019 2.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
328 1 60 CYS HA 1 87 TRP HZ3 3.000 . 3.500 2.477 2.370 2.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
329 1 61 GLN QB 1 62 ASP QB 4.000 . 5.000 3.695 3.685 3.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
330 1 61 GLN HA 1 62 ASP HA 4.000 . 5.000 4.641 4.634 4.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
331 1 61 GLN QB 1 79 THR HB 3.000 . 3.800 3.333 3.254 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
332 1 61 GLN QG 1 79 THR HB 4.000 . 5.000 4.746 4.677 4.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
333 1 62 ASP QB 1 79 THR HB 3.000 . 3.600 3.501 3.418 3.609 0.009 29 0 "[ . 1 . 2 . 3 . 4]" 2
334 1 63 CYS QB 1 64 ARG H 4.000 . 5.000 3.250 3.227 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
335 1 63 CYS HA 1 64 ARG H 2.500 . 2.900 2.221 2.215 2.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
336 1 63 CYS HA 1 76 LEU QD 3.000 . 4.000 3.525 3.080 3.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
337 1 63 CYS QB 1 76 LEU QD 3.000 . 3.500 2.630 2.420 2.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
338 1 63 CYS QB 1 78 CYS QB 4.000 . 4.500 4.142 4.117 4.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
339 1 63 CYS QB 1 78 CYS HA 4.000 . 5.000 4.562 4.506 4.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
340 1 63 CYS HA 1 78 CYS HA 2.500 . 2.700 2.662 2.618 2.706 0.006 29 0 "[ . 1 . 2 . 3 . 4]" 2
341 1 63 CYS HA 1 78 CYS QB 4.000 . 5.000 3.473 3.413 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
342 1 63 CYS SG 1 78 CYS SG 2.000 . 2.200 2.026 2.025 2.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
343 1 64 ARG QB 1 64 ARG QD 3.000 . 3.300 2.249 2.224 2.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
344 1 64 ARG H 1 64 ARG QG 3.000 . 3.300 2.294 2.248 2.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
345 1 64 ARG QG 1 77 VAL HB 4.000 . 5.000 3.086 2.845 3.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
346 1 64 ARG QD 1 77 VAL HB 4.000 . 5.000 4.174 3.928 4.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
347 1 65 LEU HA 1 65 LEU QD 2.500 . 3.200 2.025 1.997 2.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
348 1 65 LEU QB 1 65 LEU QD 2.500 . 3.200 1.908 1.891 1.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
349 1 65 LEU HA 1 65 LEU HG 4.000 . 5.000 3.051 2.761 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
350 1 65 LEU HA 1 76 LEU HA 3.000 . 3.500 2.614 2.494 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
351 1 65 LEU HA 1 76 LEU QD 4.000 . 5.000 3.416 3.196 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
352 1 65 LEU QD 1 76 LEU HA 3.000 2.300 3.700 2.386 2.254 2.611 0.046 14 0 "[ . 1 . 2 . 3 . 4]" 2
353 1 65 LEU QD 1 76 LEU QD 3.000 . 3.500 2.032 1.857 2.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
354 1 66 GLU HA 1 66 GLU QG 2.500 . 3.200 2.338 2.318 2.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
355 1 66 GLU HA 1 67 PHE QD 3.000 . 3.500 3.558 3.535 3.577 0.077 34 0 "[ . 1 . 2 . 3 . 4]" 2
356 1 66 GLU QB 1 75 TRP QB 3.000 . 3.500 2.458 2.250 2.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
357 1 66 GLU QB 1 75 TRP HE3 4.000 . 5.000 3.236 3.035 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
358 1 66 GLU HA 1 77 VAL QG 5.000 2.800 6.000 5.560 5.376 5.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
359 1 66 GLU QB 1 77 VAL QG 4.000 . 5.000 3.460 3.304 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
360 1 66 GLU QG 1 77 VAL QG 2.500 . 3.200 3.229 3.089 3.272 0.072 6 0 "[ . 1 . 2 . 3 . 4]" 2
361 1 67 PHE HA 1 67 PHE QD 3.000 . 3.600 2.947 2.916 2.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
362 1 67 PHE QB 1 71 GLU QB 4.000 . 6.000 3.973 3.814 4.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
363 1 67 PHE QB 1 71 GLU HA 3.000 . 3.500 2.497 2.266 2.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
364 1 67 PHE QD 1 71 GLU HA 3.000 . 3.300 2.797 2.615 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
365 1 67 PHE HA 1 74 VAL HA 3.000 . 3.500 2.493 2.344 2.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
366 1 68 GLY QA 1 75 TRP HZ3 3.000 . 3.600 3.388 3.285 3.601 0.001 29 0 "[ . 1 . 2 . 3 . 4]" 2
367 1 68 GLY QA 1 75 TRP HH2 3.000 . 3.600 2.439 2.338 2.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
368 1 68 GLY QA 1 69 ASP H 2.500 . 3.200 2.266 2.244 2.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
369 1 69 ASP QB 1 70 GLY H 2.500 . 3.200 2.610 2.584 2.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
370 1 70 GLY QA 1 71 GLU H 2.500 . 3.200 2.159 2.157 2.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
371 1 70 GLY QA 1 72 GLN H 3.000 . 3.500 2.816 2.801 2.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
372 1 70 GLY QA 1 72 GLN QG 4.000 . 5.000 3.391 3.258 3.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
373 1 71 GLU HA 1 71 GLU QG 3.000 . 3.300 2.389 2.371 2.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
374 1 71 GLU HA 1 72 GLN H 4.000 . 5.000 3.260 3.246 3.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
375 1 72 GLN HA 1 72 GLN QG 3.000 . 3.500 2.997 2.891 3.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
376 1 73 SER QB 1 93 LEU QD 2.500 . 3.200 3.248 3.201 3.287 0.087 30 0 "[ . 1 . 2 . 3 . 4]" 2
377 1 73 SER HA 1 93 LEU QD 4.000 . 6.000 4.709 4.572 4.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
378 1 74 VAL H 1 74 VAL QG 3.000 . 4.000 2.189 2.072 2.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
379 1 74 VAL HA 1 74 VAL QG 2.500 . 3.200 2.359 2.179 2.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
380 1 74 VAL HA 1 75 TRP HD1 4.000 . 5.000 3.932 3.867 3.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
381 1 74 VAL QG 1 75 TRP HA 4.000 . 5.000 3.749 3.618 4.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
382 1 74 VAL QG 1 93 LEU QD 4.000 . 5.000 4.141 3.896 4.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
383 1 75 TRP QB 1 75 TRP HD1 3.000 . 3.300 3.102 3.088 3.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
384 1 75 TRP QB 1 75 TRP HZ2 4.000 . 6.000 5.597 5.595 5.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
385 1 75 TRP QB 1 75 TRP HE3 3.000 . 3.300 2.532 2.519 2.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
386 1 75 TRP QB 1 77 VAL QG 4.000 . 5.000 3.146 3.070 3.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
387 1 75 TRP QB 1 91 GLN QB 4.000 . 4.500 4.452 4.289 4.529 0.029 1 0 "[ . 1 . 2 . 3 . 4]" 2
388 1 75 TRP HA 1 93 LEU QD 4.000 . 5.000 2.857 2.699 3.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
389 1 75 TRP HA 1 93 LEU HA 3.000 . 3.600 3.405 3.322 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
390 1 76 LEU QB 1 76 LEU QD 2.500 . 3.200 1.914 1.873 1.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
391 1 76 LEU HA 1 76 LEU HG 4.000 . 5.000 3.091 2.811 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
392 1 76 LEU HA 1 76 LEU QD 2.500 . 3.200 2.138 2.089 2.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
393 1 76 LEU H 1 76 LEU QD 4.000 . 5.500 3.753 3.730 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
394 1 76 LEU QD 1 77 VAL HA 4.000 . 5.500 4.124 3.681 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
395 1 76 LEU HG 1 77 VAL QG 4.000 . 5.500 4.576 4.436 4.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
396 1 76 LEU HA 1 77 VAL HB 4.000 . 6.000 4.738 4.699 4.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
397 1 76 LEU QD 1 78 CYS HA 4.000 . 5.500 4.669 4.135 5.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
398 1 76 LEU QD 1 92 ILE MG 4.000 . 5.000 2.276 2.054 2.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
399 1 76 LEU H 1 92 ILE MG 3.000 . 4.000 3.512 3.342 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
400 1 76 LEU HA 1 94 LEU QD 4.000 . 5.500 4.256 3.837 4.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
401 1 76 LEU H 1 94 LEU QD 4.000 . 5.500 3.550 2.430 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
402 1 76 LEU QD 1 94 LEU QD 4.000 . 5.000 2.237 2.004 2.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
403 1 77 VAL HA 1 77 VAL QG 2.500 . 3.200 2.113 2.060 2.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
404 1 77 VAL QG 1 89 SER QB 3.000 . 3.500 3.261 3.171 3.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
405 1 77 VAL HA 1 91 GLN HA 3.000 . 3.300 2.256 2.230 2.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
406 1 77 VAL QG 1 91 GLN HA 4.000 . 5.000 2.672 2.493 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
407 1 77 VAL QG 1 91 GLN QB 3.000 . 3.800 2.469 2.382 2.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
408 1 78 CYS HA 1 79 THR H 2.500 . 2.900 2.198 2.166 2.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
409 1 78 CYS H 1 90 THR MG 4.000 . 5.000 4.795 4.726 4.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
410 1 78 CYS QB 1 90 THR MG 4.000 . 5.000 4.676 4.517 4.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
411 1 79 THR HA 1 79 THR MG 2.500 . 3.200 2.408 2.363 2.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
412 1 79 THR MG 1 87 TRP QB 2.500 . 3.200 2.122 2.036 2.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
413 1 79 THR MG 1 87 TRP HE3 2.500 . 3.200 2.181 2.072 2.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
414 1 79 THR MG 1 88 LYS H 3.000 . 4.000 2.753 2.684 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
415 1 79 THR MG 1 89 SER QB 4.000 . 5.000 4.511 4.385 4.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
416 1 79 THR MG 1 89 SER HA 3.000 . 3.500 3.355 3.198 3.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
417 1 79 THR HA 1 89 SER HA 2.500 . 2.700 2.358 2.302 2.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
418 1 79 THR HA 1 89 SER QB 4.000 . 5.000 4.339 4.284 4.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
419 1 79 THR HA 1 90 THR MG 3.000 . 3.800 3.839 3.783 3.866 0.066 12 0 "[ . 1 . 2 . 3 . 4]" 2
420 1 80 CYS HA 1 81 GLN QB 4.000 . 5.000 4.179 4.176 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
421 1 80 CYS QB 1 90 THR MG 2.500 . 3.200 2.680 2.435 2.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
422 1 81 GLN HA 1 81 GLN QG 3.000 . 3.300 2.352 2.339 2.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
423 1 81 GLN HA 1 82 THR MG 3.000 . 3.500 3.460 3.426 3.511 0.011 37 0 "[ . 1 . 2 . 3 . 4]" 2
424 1 81 GLN QG 1 85 GLY QA 3.000 . 3.300 2.340 2.296 2.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
425 1 81 GLN HA 1 87 TRP HA 2.500 . 2.700 2.248 2.231 2.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
426 1 82 THR HA 1 82 THR MG 2.500 . 3.200 2.466 2.420 2.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
427 1 82 THR HB 1 83 MET QB 4.000 . 5.000 4.318 4.167 4.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
428 1 82 THR HA 1 83 MET H 3.000 . 3.500 2.528 2.522 2.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
429 1 82 THR HB 1 84 ASP QB 4.000 . 5.000 4.205 3.957 4.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
430 1 82 THR HB 1 84 ASP H 3.000 . 3.500 3.316 3.037 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
431 1 82 THR MG 1 86 GLU QB 2.500 . 3.200 2.304 2.186 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
432 1 82 THR MG 1 87 TRP HA 4.000 . 4.500 3.530 3.373 3.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
433 1 82 THR MG 1 88 LYS QD 3.000 . 3.500 2.458 2.310 2.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
434 1 82 THR MG 1 88 LYS QE 2.500 . 3.200 2.027 1.916 2.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
435 1 83 MET HA 1 83 MET QG 3.000 . 3.300 2.738 2.705 2.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
436 1 83 MET HA 1 84 ASP HA 4.000 . 5.000 4.760 4.743 4.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
437 1 83 MET QB 1 84 ASP HA 4.000 . 5.000 3.964 3.958 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
438 1 83 MET HA 1 85 GLY H 4.000 . 5.000 3.731 3.508 3.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
439 1 86 GLU HA 1 86 GLU QG 3.000 . 3.300 2.384 2.375 2.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
440 1 87 TRP QB 1 87 TRP HE3 3.000 . 3.300 2.703 2.633 2.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
441 1 87 TRP QB 1 87 TRP HD1 3.000 . 3.300 2.527 2.514 2.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
442 1 87 TRP H 1 87 TRP HD1 4.000 . 5.000 2.974 2.819 3.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
443 1 87 TRP H 1 88 LYS QB 4.000 . 6.000 5.739 5.655 5.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
444 1 88 LYS QB 1 88 LYS QE 3.000 . 3.500 2.152 2.013 2.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
445 1 88 LYS QE 1 88 LYS QG 3.000 . 3.300 2.330 2.243 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
446 1 88 LYS QG 1 89 SER QB 4.000 . 6.000 5.956 5.855 5.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
447 1 88 LYS QB 1 89 SER QB 4.000 . 5.000 4.554 4.394 4.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
448 1 90 THR HA 1 90 THR MG 3.000 . 3.800 2.493 2.439 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
449 1 91 GLN HA 1 91 GLN QG 3.000 . 3.500 3.307 3.306 3.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
450 1 91 GLN H 1 91 GLN QG 2.500 . 3.200 2.193 2.141 2.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
451 1 91 GLN HA 1 92 ILE MG 3.000 . 3.800 3.829 3.781 3.859 0.059 25 0 "[ . 1 . 2 . 3 . 4]" 2
452 1 92 ILE HA 1 92 ILE QG 3.000 . 3.500 2.212 2.198 2.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
453 1 92 ILE HB 1 92 ILE MD 2.500 . 3.200 2.193 2.168 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
454 1 92 ILE HA 1 92 ILE MD 3.000 . 3.800 3.585 3.555 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
455 1 92 ILE HA 1 92 ILE MG 3.000 . 3.800 3.183 3.179 3.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
456 1 92 ILE QG 1 93 LEU H 3.000 . 3.500 2.573 2.537 2.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
457 1 93 LEU HA 1 93 LEU QD 3.000 . 3.800 2.124 2.102 2.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
458 1 93 LEU QB 1 93 LEU QD 2.500 . 3.200 1.897 1.886 1.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
459 1 93 LEU HA 1 93 LEU HG 4.000 . 5.000 2.893 2.649 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
460 1 93 LEU QD 1 94 LEU QB 4.000 . 6.000 3.954 3.752 4.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
461 1 93 LEU HG 1 95 ASP QB 4.000 . 5.000 2.356 2.262 2.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
462 1 93 LEU QD 1 96 SER QB 4.000 . 5.000 3.782 3.401 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
463 1 94 LEU QB 1 94 LEU QD 2.500 . 3.200 1.924 1.855 1.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
464 1 94 LEU HA 1 94 LEU QD 2.500 . 3.200 2.114 2.033 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
465 1 94 LEU QD 1 95 ASP H 4.000 . 5.500 4.111 3.659 4.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
466 1 94 LEU QD 1 98 ILE MD 4.000 . 6.000 4.719 4.097 5.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
467 1 97 GLN HA 1 97 GLN QG 3.000 . 3.300 2.388 2.366 2.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
468 1 98 ILE HA 1 98 ILE MD 3.000 . 3.800 2.166 2.055 2.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
469 1 98 ILE HB 1 98 ILE MD 2.500 . 3.200 3.179 3.172 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
470 1 99 ASP QB 1 100 ASN QB 4.000 . 5.000 4.899 4.805 4.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
471 1 100 ASN QB 1 105 LEU QD 3.000 . 3.500 1.943 1.826 1.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
472 1 100 ASN HA 1 105 LEU HA 2.500 . 2.800 2.433 2.325 2.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
473 1 101 ASN QD 1 106 GLU QG 3.000 . 3.500 2.814 1.981 3.510 0.010 21 0 "[ . 1 . 2 . 3 . 4]" 2
474 1 101 ASN QB 1 104 GLN QB 3.000 . 3.500 2.306 2.231 2.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
475 1 102 ASP QB 1 104 GLN QB 5.000 2.800 7.000 6.092 6.014 6.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
476 1 104 GLN QB 1 105 LEU H 3.000 . 3.500 2.636 2.534 2.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
477 1 104 GLN QB 1 106 GLU QG 4.000 . 5.000 3.987 3.823 4.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
478 1 106 GLU H 1 106 GLU QG 2.500 . 3.200 2.293 2.190 2.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
479 1 106 GLU QB 1 107 ILE H 3.000 . 3.500 2.864 2.747 3.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
480 1 107 ILE HA 1 107 ILE MG 2.500 . 3.200 2.294 2.242 2.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
481 1 107 ILE H 1 107 ILE QG 3.000 . 3.500 2.084 1.881 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 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 32
_Distance_constraint_stats_list.Viol_count 262
_Distance_constraint_stats_list.Viol_total 860.411
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0389
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0168
_Distance_constraint_stats_list.Viol_average_violations_only 0.0821
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 ASP 4.551 0.195 28 0 "[ . 1 . 2 . 3 . 4]"
1 19 ILE 4.551 0.195 28 0 "[ . 1 . 2 . 3 . 4]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 CYS 1.206 0.152 37 0 "[ . 1 . 2 . 3 . 4]"
1 32 LEU 1.206 0.152 37 0 "[ . 1 . 2 . 3 . 4]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLY 5.486 0.178 36 0 "[ . 1 . 2 . 3 . 4]"
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 5.486 0.178 36 0 "[ . 1 . 2 . 3 . 4]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 3.271 0.125 23 0 "[ . 1 . 2 . 3 . 4]"
1 75 TRP 3.271 0.125 23 0 "[ . 1 . 2 . 3 . 4]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 80 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 88 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 92 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 99 ASP 6.906 0.180 32 0 "[ . 1 . 2 . 3 . 4]"
1 101 ASN 0.091 0.020 19 0 "[ . 1 . 2 . 3 . 4]"
1 104 GLN 0.091 0.020 19 0 "[ . 1 . 2 . 3 . 4]"
1 106 GLU 6.906 0.180 32 0 "[ . 1 . 2 . 3 . 4]"
1 107 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
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 9 SER H 1 23 GLU O 2.500 . 2.800 2.164 2.006 2.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
2 1 9 SER O 1 23 GLU H 2.500 . 2.800 2.301 2.069 2.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
3 1 12 ASN H 1 21 SER O 2.500 . 2.800 2.057 1.935 2.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
4 1 12 ASN O 1 21 SER H 2.500 . 2.800 2.172 1.963 2.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
5 1 14 ASP O 1 19 ILE H 2.500 . 2.800 2.914 2.859 2.995 0.195 28 0 "[ . 1 . 2 . 3 . 4]" 3
6 1 14 ASP H 1 19 ILE O 2.500 . 2.800 2.528 2.414 2.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
7 1 22 ALA H 1 34 THR O 2.500 . 2.800 2.258 1.957 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
8 1 22 ALA O 1 34 THR H 2.500 . 2.800 2.085 1.923 2.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
9 1 24 CYS H 1 32 LEU O 2.500 . 2.800 2.292 1.887 2.952 0.152 37 0 "[ . 1 . 2 . 3 . 4]" 3
10 1 24 CYS O 1 32 LEU H 2.500 . 2.800 1.953 1.868 2.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
11 1 43 GLY H 1 50 GLN O 2.500 . 2.800 2.822 2.782 2.876 0.076 2 0 "[ . 1 . 2 . 3 . 4]" 3
12 1 43 GLY O 1 50 GLN H 2.500 . 2.800 2.915 2.845 2.978 0.178 36 0 "[ . 1 . 2 . 3 . 4]" 3
13 1 45 ILE H 1 48 GLU O 2.500 . 2.800 2.106 2.038 2.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
14 1 45 ILE O 1 48 GLU H 2.500 . 2.800 2.110 2.028 2.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
15 1 61 GLN O 1 79 THR H 2.500 . 2.800 2.217 2.140 2.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
16 1 61 GLN H 1 79 THR O 2.500 . 2.800 1.978 1.933 2.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
17 1 64 ARG H 1 77 VAL O 2.500 . 2.800 2.308 2.225 2.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
18 1 64 ARG O 1 77 VAL H 2.500 . 2.800 2.317 2.171 2.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
19 1 66 GLU H 1 75 TRP O 3.000 . 3.300 2.229 2.165 2.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
20 1 66 GLU O 1 75 TRP H 3.000 . 3.300 1.718 1.675 1.775 0.125 23 0 "[ . 1 . 2 . 3 . 4]" 3
21 1 76 LEU H 1 92 ILE O 2.500 . 3.000 2.641 2.540 2.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
22 1 76 LEU O 1 92 ILE H 2.500 . 3.000 2.282 2.109 2.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
23 1 78 CYS H 1 90 THR O 2.500 . 2.800 2.295 2.117 2.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
24 1 78 CYS O 1 90 THR H 2.500 . 2.800 2.099 1.934 2.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
25 1 80 CYS H 1 88 LYS O 2.500 . 2.800 2.207 2.133 2.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
26 1 80 CYS O 1 88 LYS H 2.500 . 2.800 2.471 2.380 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
27 1 98 ILE HA 1 107 ILE HA 3.000 2.500 3.400 2.890 2.697 3.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
28 1 99 ASP H 1 106 GLU O 2.500 . 3.300 3.409 3.326 3.480 0.180 32 0 "[ . 1 . 2 . 3 . 4]" 3
29 1 99 ASP O 1 106 GLU H 2.500 . 3.000 3.064 3.030 3.095 0.095 27 0 "[ . 1 . 2 . 3 . 4]" 3
30 1 99 ASP H 1 107 ILE HA 2.500 . 3.000 2.688 2.432 2.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
31 1 101 ASN H 1 104 GLN O 2.500 . 2.800 2.055 1.980 2.221 0.020 19 0 "[ . 1 . 2 . 3 . 4]" 3
32 1 101 ASN O 1 104 GLN H 2.500 . 2.800 2.747 2.646 2.809 0.009 20 0 "[ . 1 . 2 . 3 . 4]" 3
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 9:17:34 PM GMT (wattos1)