NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
387650 |
1mjd   |
5482 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mjd
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 191
_Distance_constraint_stats_list.Viol_count 207
_Distance_constraint_stats_list.Viol_total 120.981
_Distance_constraint_stats_list.Viol_max 0.118
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0292
_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 5 PRO 0.977 0.059 12 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.013 0.013 3 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.060 0.053 5 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 13 0 "[ . 1 . 2]"
1 18 VAL 0.000 0.000 13 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.053 0.014 18 0 "[ . 1 . 2]"
1 21 TYR 0.054 0.029 8 0 "[ . 1 . 2]"
1 22 ARG 0.051 0.025 4 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.022 0.006 18 0 "[ . 1 . 2]"
1 31 ILE 0.004 0.004 18 0 "[ . 1 . 2]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.096 0.019 3 0 "[ . 1 . 2]"
1 40 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.041 0.014 18 0 "[ . 1 . 2]"
1 44 ASP 0.003 0.002 14 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.440 0.031 11 0 "[ . 1 . 2]"
1 47 LEU 0.891 0.045 13 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.095 0.035 6 0 "[ . 1 . 2]"
1 51 THR 0.470 0.076 5 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.190 0.035 6 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.993 0.076 5 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 TYR 0.253 0.027 13 0 "[ . 1 . 2]"
1 67 ILE 2.241 0.096 14 0 "[ . 1 . 2]"
1 68 TYR 0.011 0.011 10 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.280 0.033 10 0 "[ . 1 . 2]"
1 76 ILE 0.183 0.019 12 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 MET 0.803 0.053 6 0 "[ . 1 . 2]"
1 81 GLU 0.183 0.019 12 0 "[ . 1 . 2]"
1 82 LEU 3.024 0.096 14 0 "[ . 1 . 2]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 CYS 0.099 0.023 5 0 "[ . 1 . 2]"
1 91 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 TYR 0.054 0.029 8 0 "[ . 1 . 2]"
1 102 THR 0.054 0.029 8 0 "[ . 1 . 2]"
1 103 LYS 0.003 0.002 14 0 "[ . 1 . 2]"
1 105 VAL 0.825 0.053 6 0 "[ . 1 . 2]"
1 106 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 PRO 0.977 0.059 12 0 "[ . 1 . 2]"
1 108 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 SER 0.258 0.118 17 0 "[ . 1 . 2]"
1 111 VAL 1.061 0.118 17 0 "[ . 1 . 2]"
1 112 ASN 0.216 0.118 17 0 "[ . 1 . 2]"
1 113 VAL 0.258 0.118 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 29 LYS QB 1 105 VAL MG1 1.800 . 3.200 1.880 1.846 1.895 . 0 0 "[ . 1 . 2]" 1
2 1 67 ILE MD 1 67 ILE QG 1.800 . 3.200 1.721 1.704 1.855 0.096 14 0 "[ . 1 . 2]" 1
3 1 15 ALA H 1 15 ALA MB 1.800 . 3.200 2.130 1.819 2.672 . 0 0 "[ . 1 . 2]" 1
4 1 69 THR MG 1 76 ILE MD 1.800 . 3.200 1.822 1.800 1.854 . 0 0 "[ . 1 . 2]" 1
5 1 54 LEU HB2 1 54 LEU MD1 1.800 . 3.200 2.249 1.954 2.401 . 0 0 "[ . 1 . 2]" 1
6 1 43 PHE QE 1 76 ILE MG 1.800 . 3.200 2.161 2.033 2.211 . 0 0 "[ . 1 . 2]" 1
7 1 47 LEU MD2 1 67 ILE MD 1.800 . 3.200 2.459 1.776 2.706 0.024 7 0 "[ . 1 . 2]" 1
8 1 47 LEU MD2 1 67 ILE QG 1.800 . 3.200 1.782 1.755 1.972 0.045 13 0 "[ . 1 . 2]" 1
9 1 46 LEU HG 1 47 LEU MD2 1.800 . 3.200 1.783 1.769 1.800 0.031 11 0 "[ . 1 . 2]" 1
10 1 46 LEU MD1 1 46 LEU MD2 1.800 . 3.200 2.017 1.911 2.083 . 0 0 "[ . 1 . 2]" 1
11 1 75 LYS QB 1 75 LYS QG 1.800 . 3.200 1.810 1.767 1.819 0.033 10 0 "[ . 1 . 2]" 1
12 1 46 LEU MD2 1 46 LEU HG 1.800 . 3.200 2.066 2.036 2.086 . 0 0 "[ . 1 . 2]" 1
13 1 40 PHE QD 1 45 ALA MB 1.800 . 3.200 2.160 1.897 2.515 . 0 0 "[ . 1 . 2]" 1
14 1 5 PRO QD 1 5 PRO QG 1.800 . 3.600 1.751 1.741 1.760 0.059 12 0 "[ . 1 . 2]" 1
15 1 31 ILE MG 1 54 LEU MD2 1.800 . 3.600 1.859 1.796 1.932 0.004 18 0 "[ . 1 . 2]" 1
16 1 29 LYS QB 1 105 VAL MG2 1.800 . 3.600 3.376 2.797 3.606 0.006 18 0 "[ . 1 . 2]" 1
17 1 50 LEU MD2 1 54 LEU QD 1.800 . 3.600 3.398 3.044 3.635 0.035 6 0 "[ . 1 . 2]" 1
18 1 54 LEU HB2 1 54 LEU MD2 1.800 . 3.600 3.151 3.116 3.171 . 0 0 "[ . 1 . 2]" 1
19 1 46 LEU HG 1 50 LEU MD1 1.800 . 3.600 2.019 1.813 2.228 . 0 0 "[ . 1 . 2]" 1
20 1 46 LEU MD1 1 50 LEU QD 1.800 . 3.600 2.328 1.850 2.909 . 0 0 "[ . 1 . 2]" 1
21 1 50 LEU QD 1 54 LEU MD1 1.800 . 3.600 3.162 2.763 3.424 . 0 0 "[ . 1 . 2]" 1
22 1 18 VAL MG2 1 20 PHE QE 1.800 . 3.600 2.047 2.014 2.073 . 0 0 "[ . 1 . 2]" 1
23 1 46 LEU MD2 1 50 LEU MD1 1.800 . 3.600 1.931 1.796 2.170 0.004 3 0 "[ . 1 . 2]" 1
24 1 13 LYS QE 1 13 LYS QG 1.800 . 3.600 1.918 1.808 2.072 . 0 0 "[ . 1 . 2]" 1
25 1 8 ALA H 1 8 ALA MB 1.800 . 3.600 2.349 1.815 2.829 . 0 0 "[ . 1 . 2]" 1
26 1 50 LEU QD 1 50 LEU HG 1.800 . 3.600 1.889 1.884 1.895 . 0 0 "[ . 1 . 2]" 1
27 1 31 ILE MG 1 54 LEU MD1 1.800 . 3.600 2.114 2.072 2.181 . 0 0 "[ . 1 . 2]" 1
28 1 20 PHE QE 1 67 ILE MD 1.800 . 3.600 2.845 2.645 3.612 0.012 7 0 "[ . 1 . 2]" 1
29 1 110 SER HA 1 111 VAL MG1 1.800 . 3.600 2.009 1.932 2.117 . 0 0 "[ . 1 . 2]" 1
30 1 51 THR H 1 64 VAL MG1 1.800 . 3.600 2.658 2.466 2.826 . 0 0 "[ . 1 . 2]" 1
31 1 47 LEU MD2 1 67 ILE MG 1.800 . 3.600 3.158 3.050 3.244 . 0 0 "[ . 1 . 2]" 1
32 1 95 PHE QB 1 97 LYS QG 1.800 . 3.600 2.132 2.027 2.449 . 0 0 "[ . 1 . 2]" 1
33 1 26 ARG H 1 26 ARG QG 1.800 . 3.600 2.496 2.148 2.698 . 0 0 "[ . 1 . 2]" 1
34 1 76 ILE MG 1 81 GLU QB 1.800 . 3.600 1.794 1.781 1.854 0.019 12 0 "[ . 1 . 2]" 1
35 1 20 PHE QE 1 35 VAL MG2 1.800 . 3.600 2.528 2.334 2.728 . 0 0 "[ . 1 . 2]" 1
36 1 20 PHE QD 1 67 ILE MG 1.800 . 3.600 3.180 3.070 3.239 . 0 0 "[ . 1 . 2]" 1
37 1 35 VAL QG 1 46 LEU MD1 1.800 . 4.200 1.852 1.781 2.171 0.019 3 0 "[ . 1 . 2]" 1
38 1 40 PHE QD 1 79 MET ME 1.800 . 4.200 2.810 2.339 3.253 . 0 0 "[ . 1 . 2]" 1
39 1 60 LEU H 1 60 LEU MD2 1.800 . 4.200 3.238 3.161 3.417 . 0 0 "[ . 1 . 2]" 1
40 1 51 THR MG 1 64 VAL MG2 1.800 . 4.200 2.489 2.331 2.623 . 0 0 "[ . 1 . 2]" 1
41 1 40 PHE QD 1 46 LEU MD1 1.800 . 4.200 2.518 2.191 2.739 . 0 0 "[ . 1 . 2]" 1
42 1 20 PHE QE 1 67 ILE QG 1.800 . 4.200 3.088 2.840 3.399 . 0 0 "[ . 1 . 2]" 1
43 1 20 PHE QE 1 46 LEU MD2 1.800 . 4.200 2.260 1.968 2.464 . 0 0 "[ . 1 . 2]" 1
44 1 51 THR MG 1 64 VAL QG 1.800 . 4.200 3.409 3.100 3.820 . 0 0 "[ . 1 . 2]" 1
45 1 20 PHE QE 1 82 LEU MD2 1.800 . 4.200 3.632 3.398 3.846 . 0 0 "[ . 1 . 2]" 1
46 1 50 LEU QD 1 64 VAL MG2 1.800 . 4.200 3.248 2.850 3.599 . 0 0 "[ . 1 . 2]" 1
47 1 54 LEU HB2 1 64 VAL MG1 1.800 . 4.200 2.600 1.917 3.238 . 0 0 "[ . 1 . 2]" 1
48 1 54 LEU HB2 1 64 VAL MG2 1.800 . 4.200 2.274 1.943 2.482 . 0 0 "[ . 1 . 2]" 1
49 1 51 THR H 1 64 VAL MG2 1.800 . 4.200 3.489 3.406 3.595 . 0 0 "[ . 1 . 2]" 1
50 1 24 GLY QA 1 99 VAL MG2 1.800 . 4.200 2.713 2.365 2.822 . 0 0 "[ . 1 . 2]" 1
51 1 19 ARG QD 1 105 VAL MG1 1.800 . 4.200 2.665 1.919 3.152 . 0 0 "[ . 1 . 2]" 1
52 1 18 VAL MG1 1 82 LEU HB2 1.800 . 4.200 2.950 2.752 3.169 . 0 0 "[ . 1 . 2]" 1
53 1 48 ALA HA 1 51 THR MG 1.800 . 4.200 3.301 2.927 3.499 . 0 0 "[ . 1 . 2]" 1
54 1 13 LYS QG 1 14 LYS H 1.800 . 3.600 3.008 2.178 3.593 . 0 0 "[ . 1 . 2]" 1
55 1 26 ARG HA 1 99 VAL MG2 1.800 . 4.200 3.480 2.268 3.755 . 0 0 "[ . 1 . 2]" 1
56 1 20 PHE QD 1 67 ILE QG 1.800 . 4.200 2.017 1.786 2.715 0.014 18 0 "[ . 1 . 2]" 1
57 1 21 TYR QD 1 102 THR MG 1.800 . 4.200 3.932 3.524 4.229 0.029 8 0 "[ . 1 . 2]" 1
58 1 20 PHE QE 1 35 VAL MG1 1.800 . 4.200 3.820 3.599 4.040 . 0 0 "[ . 1 . 2]" 1
59 1 40 PHE QD 1 46 LEU MD2 1.800 . 4.200 3.647 3.510 3.770 . 0 0 "[ . 1 . 2]" 1
60 1 66 TYR HB3 1 75 LYS QG 1.800 . 4.200 2.133 1.805 2.513 . 0 0 "[ . 1 . 2]" 1
61 1 20 PHE QD 1 46 LEU MD2 1.800 . 4.200 3.006 2.691 3.499 . 0 0 "[ . 1 . 2]" 1
62 1 46 LEU MD2 1 47 LEU MD2 1.800 . 4.200 3.446 3.183 3.555 . 0 0 "[ . 1 . 2]" 1
63 1 20 PHE QE 1 50 LEU MD1 1.800 . 4.200 2.158 1.972 2.377 . 0 0 "[ . 1 . 2]" 1
64 1 50 LEU QD 1 67 ILE MG 1.800 . 5.000 3.654 3.495 3.873 . 0 0 "[ . 1 . 2]" 1
65 1 26 ARG H 1 99 VAL MG1 1.800 . 5.000 3.769 3.105 4.322 . 0 0 "[ . 1 . 2]" 1
66 1 79 MET HB2 1 82 LEU MD1 1.800 . 5.000 3.015 2.398 3.360 . 0 0 "[ . 1 . 2]" 1
67 1 20 PHE QD 1 54 LEU MD1 1.800 . 5.000 3.653 3.091 4.035 . 0 0 "[ . 1 . 2]" 1
68 1 16 LYS QB 1 18 VAL MG2 1.800 . 5.000 4.171 4.047 4.289 . 0 0 "[ . 1 . 2]" 1
69 1 20 PHE QD 1 50 LEU MD1 1.800 . 5.000 2.288 2.048 2.621 . 0 0 "[ . 1 . 2]" 1
70 1 47 LEU HA 1 47 LEU MD1 1.800 . 5.000 3.678 3.639 3.705 . 0 0 "[ . 1 . 2]" 1
71 1 108 ASN H 1 111 VAL MG2 1.800 . 5.000 3.243 2.130 4.029 . 0 0 "[ . 1 . 2]" 1
72 1 17 LYS HA 1 18 VAL MG2 1.800 . 5.000 3.393 3.342 3.439 . 0 0 "[ . 1 . 2]" 1
73 1 50 LEU HA 1 54 LEU MD1 1.800 . 5.000 4.186 4.038 4.343 . 0 0 "[ . 1 . 2]" 1
74 1 50 LEU QD 1 54 LEU MD2 1.800 . 5.000 4.701 4.336 4.914 . 0 0 "[ . 1 . 2]" 1
75 1 67 ILE MG 1 76 ILE H 1.800 . 5.000 3.612 3.396 3.707 . 0 0 "[ . 1 . 2]" 1
76 1 47 LEU MD2 1 65 ARG H 1.800 . 5.000 3.026 2.827 3.290 . 0 0 "[ . 1 . 2]" 1
77 1 31 ILE QG 1 32 VAL MG2 1.800 . 5.000 3.659 3.570 3.758 . 0 0 "[ . 1 . 2]" 1
78 1 51 THR MG 1 64 VAL HB 1.800 . 5.000 3.529 3.004 4.068 . 0 0 "[ . 1 . 2]" 1
79 1 20 PHE HB2 1 54 LEU QD 1.800 . 5.000 3.307 2.666 3.746 . 0 0 "[ . 1 . 2]" 1
80 1 31 ILE QG 1 32 VAL MG2 1.800 . 5.000 3.716 3.644 3.819 . 0 0 "[ . 1 . 2]" 1
81 1 112 ASN QB 1 113 VAL QG 1.800 . 5.000 3.757 2.630 4.225 . 0 0 "[ . 1 . 2]" 1
82 1 16 LYS QB 1 84 GLU QG 1.800 . 5.000 2.450 1.971 3.992 . 0 0 "[ . 1 . 2]" 1
83 1 48 ALA MB 1 49 ASP QB 1.800 . 5.000 3.557 3.433 3.720 . 0 0 "[ . 1 . 2]" 1
84 1 66 TYR HB3 1 66 TYR QE 1.800 . 5.000 4.006 3.776 4.153 . 0 0 "[ . 1 . 2]" 1
85 1 40 PHE QD 1 49 ASP QB 1.800 . 5.000 3.443 2.901 3.740 . 0 0 "[ . 1 . 2]" 1
86 1 16 LYS QB 1 84 GLU QB 1.800 . 5.000 3.470 2.650 3.952 . 0 0 "[ . 1 . 2]" 1
87 1 35 VAL QG 1 79 MET QG 1.800 . 5.000 2.017 1.830 2.290 . 0 0 "[ . 1 . 2]" 1
88 1 22 ARG QH 1 56 ASP QB 1.800 . 5.000 2.907 1.887 3.796 . 0 0 "[ . 1 . 2]" 1
89 1 16 LYS QD 1 82 LEU HB2 1.800 . 5.000 3.152 1.967 4.515 . 0 0 "[ . 1 . 2]" 1
90 1 54 LEU HB2 1 90 CYS HB3 1.800 . 4.200 2.521 2.318 2.631 . 0 0 "[ . 1 . 2]" 1
91 1 31 ILE HB 1 54 LEU QD 1.800 . 5.000 3.148 2.917 3.288 . 0 0 "[ . 1 . 2]" 1
92 1 8 ALA H 1 9 LEU QB 1.800 . 4.200 2.693 2.104 3.409 . 0 0 "[ . 1 . 2]" 1
93 1 40 PHE QD 1 46 LEU QB 1.800 . 4.200 2.433 2.395 2.491 . 0 0 "[ . 1 . 2]" 1
94 1 83 GLU H 1 86 GLU QG 1.800 . 4.200 2.069 1.917 2.887 . 0 0 "[ . 1 . 2]" 1
95 1 57 ASN QB 1 57 ASN QD 1.800 . 3.200 1.929 1.861 2.147 . 0 0 "[ . 1 . 2]" 1
96 1 21 TYR HB2 1 21 TYR QD 1.800 . 3.600 2.402 2.239 2.551 . 0 0 "[ . 1 . 2]" 1
97 1 27 TYR H 1 27 TYR HB3 1.800 . 3.600 2.657 2.418 2.727 . 0 0 "[ . 1 . 2]" 1
98 1 43 PHE QE 1 77 GLY QA 1.800 . 3.600 2.789 2.739 2.857 . 0 0 "[ . 1 . 2]" 1
99 1 66 TYR HB3 1 75 LYS QD 1.800 . 3.600 1.816 1.773 2.055 0.027 13 0 "[ . 1 . 2]" 1
100 1 15 ALA MB 1 17 LYS QE 1.800 . 3.600 2.361 1.854 3.458 . 0 0 "[ . 1 . 2]" 1
101 1 74 ARG QB 1 74 ARG QD 1.800 . 3.200 2.129 1.995 2.627 . 0 0 "[ . 1 . 2]" 1
102 1 65 ARG H 1 65 ARG HB3 1.800 . 3.600 2.947 2.870 2.986 . 0 0 "[ . 1 . 2]" 1
103 1 21 TYR QD 1 101 TYR HB2 1.800 . 3.600 2.314 2.264 2.735 . 0 0 "[ . 1 . 2]" 1
104 1 97 LYS QD 1 97 LYS QE 1.800 . 3.600 2.051 1.998 2.089 . 0 0 "[ . 1 . 2]" 1
105 1 21 TYR QD 1 101 TYR HB3 1.800 . 3.600 2.633 2.467 2.715 . 0 0 "[ . 1 . 2]" 1
106 1 21 TYR HB3 1 21 TYR QD 1.800 . 3.600 2.289 2.135 2.438 . 0 0 "[ . 1 . 2]" 1
107 1 22 ARG QD 1 22 ARG QH 1.800 . 3.600 1.877 1.775 2.005 0.025 4 0 "[ . 1 . 2]" 1
108 1 46 LEU HB3 1 46 LEU MD2 1.800 . 3.600 2.129 2.000 2.208 . 0 0 "[ . 1 . 2]" 1
109 1 59 ASN H 1 59 ASN HB2 1.800 . 3.200 2.054 1.929 2.646 . 0 0 "[ . 1 . 2]" 1
110 1 61 PRO HB2 1 62 GLN HB3 1.800 . 3.200 2.065 2.018 2.085 . 0 0 "[ . 1 . 2]" 1
111 1 64 VAL HB 1 64 VAL QG 1.800 . 3.200 1.880 1.861 1.895 . 0 0 "[ . 1 . 2]" 1
112 1 54 LEU QD 1 90 CYS HB2 1.800 . 3.200 1.826 1.777 1.952 0.023 5 0 "[ . 1 . 2]" 1
113 1 58 ILE HB 1 58 ILE MD 1.800 . 3.200 1.944 1.831 2.093 . 0 0 "[ . 1 . 2]" 1
114 1 35 VAL HB 1 35 VAL QG 1.800 . 3.200 1.885 1.879 1.894 . 0 0 "[ . 1 . 2]" 1
115 1 79 MET HB2 1 82 LEU MD1 1.800 . 3.200 1.760 1.747 1.770 0.053 6 0 "[ . 1 . 2]" 1
116 1 45 ALA HA 1 45 ALA MB 1.800 . 3.200 2.048 1.983 2.076 . 0 0 "[ . 1 . 2]" 1
117 1 81 GLU HA 1 81 GLU QB 1.800 . 3.200 2.174 2.058 2.280 . 0 0 "[ . 1 . 2]" 1
118 1 111 VAL HA 1 111 VAL QG 1.800 . 3.200 2.176 2.042 2.317 . 0 0 "[ . 1 . 2]" 1
119 1 58 ILE HA 1 58 ILE MD 1.800 . 3.200 2.307 1.882 2.537 . 0 0 "[ . 1 . 2]" 1
120 1 84 GLU HA 1 84 GLU QB 1.800 . 3.200 2.091 2.028 2.144 . 0 0 "[ . 1 . 2]" 1
121 1 13 LYS HA 1 13 LYS QB 1.800 . 3.200 2.291 2.165 2.488 . 0 0 "[ . 1 . 2]" 1
122 1 64 VAL HA 1 64 VAL QG 1.800 . 3.200 2.150 2.105 2.177 . 0 0 "[ . 1 . 2]" 1
123 1 44 ASP HA 1 47 LEU HB3 1.800 . 3.200 2.331 2.018 3.202 0.002 14 0 "[ . 1 . 2]" 1
124 1 54 LEU HA 1 54 LEU MD2 1.800 . 3.200 1.893 1.867 1.922 . 0 0 "[ . 1 . 2]" 1
125 1 35 VAL HA 1 35 VAL QG 1.800 . 3.200 2.068 1.977 2.128 . 0 0 "[ . 1 . 2]" 1
126 1 47 LEU HB3 1 65 ARG HA 1.800 . 3.200 2.258 2.162 2.476 . 0 0 "[ . 1 . 2]" 1
127 1 8 ALA H 1 8 ALA HA 1.800 . 3.200 2.198 2.036 2.585 . 0 0 "[ . 1 . 2]" 1
128 1 51 THR HA 1 64 VAL QG 1.800 . 3.200 2.432 2.017 2.721 . 0 0 "[ . 1 . 2]" 1
129 1 53 SER H 1 53 SER HB2 1.800 . 3.600 2.068 2.040 2.108 . 0 0 "[ . 1 . 2]" 1
130 1 19 ARG H 1 87 SER HA 1.800 . 3.600 2.467 2.318 2.556 . 0 0 "[ . 1 . 2]" 1
131 1 50 LEU H 1 50 LEU HA 1.800 . 3.600 2.697 2.665 2.719 . 0 0 "[ . 1 . 2]" 1
132 1 40 PHE QD 1 46 LEU HA 1.800 . 3.600 2.438 2.274 2.569 . 0 0 "[ . 1 . 2]" 1
133 1 64 VAL QG 1 90 CYS HA 1.800 . 3.600 2.781 2.564 3.189 . 0 0 "[ . 1 . 2]" 1
134 1 43 PHE QE 1 78 SER HB3 1.800 . 4.200 2.987 2.785 3.135 . 0 0 "[ . 1 . 2]" 1
135 1 113 VAL HA 1 113 VAL QG 1.800 . 4.200 2.189 2.071 2.324 . 0 0 "[ . 1 . 2]" 1
136 1 43 PHE QE 1 76 ILE HA 1.800 . 4.200 3.612 3.421 3.679 . 0 0 "[ . 1 . 2]" 1
137 1 43 PHE QD 1 79 MET HA 1.800 . 4.200 2.999 2.508 3.345 . 0 0 "[ . 1 . 2]" 1
138 1 50 LEU HA 1 54 LEU QD 1.800 . 4.200 3.634 3.524 3.780 . 0 0 "[ . 1 . 2]" 1
139 1 68 TYR HA 1 69 THR MG 1.800 . 4.200 2.790 2.599 2.989 . 0 0 "[ . 1 . 2]" 1
140 1 94 ASN QD 1 95 PHE HA 1.800 . 4.200 2.894 2.013 3.699 . 0 0 "[ . 1 . 2]" 1
141 1 110 SER HA 1 111 VAL QG 1.800 . 4.200 3.193 2.335 4.241 0.041 16 0 "[ . 1 . 2]" 1
142 1 66 TYR H 1 91 SER HB2 1.800 . 4.200 3.609 3.421 3.744 . 0 0 "[ . 1 . 2]" 1
143 1 76 ILE MD 1 81 GLU HA 1.800 . 4.200 3.618 3.584 3.654 . 0 0 "[ . 1 . 2]" 1
144 1 43 PHE QD 1 78 SER HB3 1.800 . 4.200 3.654 3.116 4.048 . 0 0 "[ . 1 . 2]" 1
145 1 16 LYS QB 1 84 GLU HA 1.800 . 5.000 2.508 1.975 2.775 . 0 0 "[ . 1 . 2]" 1
146 1 21 TYR QD 1 70 ILE HA 1.800 . 5.000 3.824 3.214 4.171 . 0 0 "[ . 1 . 2]" 1
147 1 76 ILE HA 1 77 GLY H 1.800 . 3.200 2.004 1.966 2.026 . 0 0 "[ . 1 . 2]" 1
148 1 110 SER HA 1 112 ASN H 1.800 . 3.200 3.029 2.686 3.318 0.118 17 0 "[ . 1 . 2]" 1
149 1 13 LYS QB 1 14 LYS H 1.800 . 3.200 2.473 1.921 3.187 . 0 0 "[ . 1 . 2]" 1
150 1 84 GLU H 1 84 GLU QB 1.800 . 3.200 2.163 1.937 2.268 . 0 0 "[ . 1 . 2]" 1
151 1 97 LYS H 1 97 LYS QB 1.800 . 3.200 2.319 2.135 2.554 . 0 0 "[ . 1 . 2]" 1
152 1 74 ARG QG 1 75 LYS H 1.800 . 3.200 2.252 2.192 2.493 . 0 0 "[ . 1 . 2]" 1
153 1 110 SER HA 1 111 VAL H 1.800 . 3.200 2.682 2.442 2.768 . 0 0 "[ . 1 . 2]" 1
154 1 75 LYS H 1 75 LYS QB 1.800 . 3.200 2.254 2.192 2.486 . 0 0 "[ . 1 . 2]" 1
155 1 46 LEU HG 1 50 LEU H 1.800 . 3.200 2.438 1.939 2.995 . 0 0 "[ . 1 . 2]" 1
156 1 9 LEU H 1 9 LEU QB 1.800 . 3.200 2.538 2.002 3.213 0.013 3 0 "[ . 1 . 2]" 1
157 1 16 LYS H 1 16 LYS QB 1.800 . 3.200 2.441 2.092 2.588 . 0 0 "[ . 1 . 2]" 1
158 1 42 SER QB 1 44 ASP H 1.800 . 3.200 2.548 2.296 2.978 . 0 0 "[ . 1 . 2]" 1
159 1 111 VAL H 1 111 VAL QG 1.800 . 3.200 2.156 1.857 2.849 . 0 0 "[ . 1 . 2]" 1
160 1 16 LYS QB 1 17 LYS H 1.800 . 3.200 2.153 2.117 2.277 . 0 0 "[ . 1 . 2]" 1
161 1 50 LEU HA 1 54 LEU H 1.800 . 3.600 2.618 2.571 2.677 . 0 0 "[ . 1 . 2]" 1
162 1 98 LYS H 1 98 LYS QB 1.800 . 3.600 2.257 1.928 2.990 . 0 0 "[ . 1 . 2]" 1
163 1 27 TYR H 1 27 TYR HB3 1.800 . 3.600 3.273 3.139 3.472 . 0 0 "[ . 1 . 2]" 1
164 1 17 LYS QB 1 18 VAL H 1.800 . 3.600 3.161 2.526 3.600 0.000 13 0 "[ . 1 . 2]" 1
165 1 16 LYS QB 1 84 GLU H 1.800 . 3.600 2.681 2.214 3.269 . 0 0 "[ . 1 . 2]" 1
166 1 29 LYS H 1 29 LYS QB 1.800 . 3.600 2.780 2.222 3.349 . 0 0 "[ . 1 . 2]" 1
167 1 50 LEU H 1 51 THR HG1 1.800 . 3.600 2.055 1.823 2.436 . 0 0 "[ . 1 . 2]" 1
168 1 76 ILE HA 1 78 SER H 1.800 . 3.600 2.769 2.753 2.791 . 0 0 "[ . 1 . 2]" 1
169 1 113 VAL H 1 113 VAL QG 1.800 . 3.600 1.988 1.906 2.138 . 0 0 "[ . 1 . 2]" 1
170 1 50 LEU H 1 50 LEU QD 1.800 . 3.600 2.687 2.270 3.092 . 0 0 "[ . 1 . 2]" 1
171 1 5 PRO QB 1 6 GLU H 1.800 . 3.600 2.384 1.868 2.869 . 0 0 "[ . 1 . 2]" 1
172 1 18 VAL H 1 18 VAL HA 1.800 . 3.600 2.821 2.795 2.853 . 0 0 "[ . 1 . 2]" 1
173 1 54 LEU H 1 54 LEU MD2 1.800 . 3.600 3.371 3.280 3.450 . 0 0 "[ . 1 . 2]" 1
174 1 84 GLU QB 1 85 GLY H 1.800 . 3.600 2.415 2.307 2.469 . 0 0 "[ . 1 . 2]" 1
175 1 51 THR H 1 64 VAL QG 1.800 . 3.600 3.600 3.429 3.676 0.076 5 0 "[ . 1 . 2]" 1
176 1 83 GLU H 1 83 GLU QG 1.800 . 3.600 1.910 1.835 2.350 . 0 0 "[ . 1 . 2]" 1
177 1 64 VAL QG 1 65 ARG H 1.800 . 4.200 2.946 2.776 3.092 . 0 0 "[ . 1 . 2]" 1
178 1 9 LEU QB 1 10 SER H 1.800 . 4.200 3.062 1.887 3.931 . 0 0 "[ . 1 . 2]" 1
179 1 111 VAL QG 1 112 ASN H 1.800 . 4.200 2.851 2.123 3.271 . 0 0 "[ . 1 . 2]" 1
180 1 64 VAL QG 1 66 TYR H 1.800 . 4.200 2.993 2.731 3.212 . 0 0 "[ . 1 . 2]" 1
181 1 106 ASN QB 1 106 ASN QD 1.800 . 4.200 2.108 1.897 2.576 . 0 0 "[ . 1 . 2]" 1
182 1 12 GLU H 1 12 GLU QG 1.800 . 4.200 3.566 2.187 4.253 0.053 5 0 "[ . 1 . 2]" 1
183 1 76 ILE MD 1 82 LEU H 1.800 . 4.200 3.400 3.366 3.427 . 0 0 "[ . 1 . 2]" 1
184 1 94 ASN QD 1 95 PHE H 1.800 . 4.200 2.965 1.991 4.062 . 0 0 "[ . 1 . 2]" 1
185 1 50 LEU HA 1 52 ARG H 1.800 . 4.200 3.930 3.850 4.091 . 0 0 "[ . 1 . 2]" 1
186 1 19 ARG HE 1 19 ARG QG 1.800 . 5.000 2.427 2.037 2.841 . 0 0 "[ . 1 . 2]" 1
187 1 52 ARG HA 1 54 LEU H 1.800 . 5.000 4.131 4.100 4.183 . 0 0 "[ . 1 . 2]" 1
188 1 66 TYR H 1 66 TYR QE 1.800 . 5.000 4.669 4.514 5.011 0.011 10 0 "[ . 1 . 2]" 1
189 1 28 PHE QB 1 29 LYS H 1.800 . 5.000 3.282 2.344 3.831 . 0 0 "[ . 1 . 2]" 1
190 1 53 SER HA 1 55 SER H 1.800 . 5.000 3.142 3.126 3.176 . 0 0 "[ . 1 . 2]" 1
191 1 109 TRP H 1 111 VAL QG 1.800 . 5.000 3.983 2.675 4.501 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1229
_Distance_constraint_stats_list.Viol_count 2663
_Distance_constraint_stats_list.Viol_total 2130.537
_Distance_constraint_stats_list.Viol_max 0.261
_Distance_constraint_stats_list.Viol_rms 0.0190
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0400
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.037 0.014 20 0 "[ . 1 . 2]"
1 6 GLU 0.088 0.054 16 0 "[ . 1 . 2]"
1 7 PHE 0.075 0.054 16 0 "[ . 1 . 2]"
1 8 ALA 0.236 0.212 20 0 "[ . 1 . 2]"
1 9 LEU 0.512 0.261 5 0 "[ . 1 . 2]"
1 10 SER 0.261 0.261 5 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.054 0.030 12 0 "[ . 1 . 2]"
1 13 LYS 0.049 0.016 11 0 "[ . 1 . 2]"
1 14 LYS 0.431 0.167 8 0 "[ . 1 . 2]"
1 15 ALA 0.564 0.167 8 0 "[ . 1 . 2]"
1 16 LYS 0.040 0.025 17 0 "[ . 1 . 2]"
1 17 LYS 3.820 0.178 5 0 "[ . 1 . 2]"
1 18 VAL 8.482 0.178 5 0 "[ . 1 . 2]"
1 19 ARG 0.629 0.045 2 0 "[ . 1 . 2]"
1 20 PHE 4.561 0.131 2 0 "[ . 1 . 2]"
1 21 TYR 4.830 0.160 2 0 "[ . 1 . 2]"
1 22 ARG 3.245 0.160 2 0 "[ . 1 . 2]"
1 23 ASN 1.414 0.095 7 0 "[ . 1 . 2]"
1 24 GLY 0.829 0.075 7 0 "[ . 1 . 2]"
1 25 ASP 0.534 0.058 7 0 "[ . 1 . 2]"
1 26 ARG 1.163 0.058 7 0 "[ . 1 . 2]"
1 27 TYR 0.657 0.075 12 0 "[ . 1 . 2]"
1 28 PHE 1.327 0.075 12 0 "[ . 1 . 2]"
1 29 LYS 0.422 0.072 18 0 "[ . 1 . 2]"
1 30 GLY 0.044 0.020 2 0 "[ . 1 . 2]"
1 31 ILE 1.498 0.080 10 0 "[ . 1 . 2]"
1 32 VAL 0.582 0.062 13 0 "[ . 1 . 2]"
1 33 TYR 4.175 0.155 11 0 "[ . 1 . 2]"
1 34 ALA 3.319 0.155 11 0 "[ . 1 . 2]"
1 35 VAL 3.971 0.159 20 0 "[ . 1 . 2]"
1 36 SER 2.436 0.159 20 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 2.196 0.110 3 0 "[ . 1 . 2]"
1 39 ARG 0.005 0.004 20 0 "[ . 1 . 2]"
1 40 PHE 1.117 0.041 8 0 "[ . 1 . 2]"
1 41 ARG 3.122 0.123 7 0 "[ . 1 . 2]"
1 42 SER 0.694 0.041 8 0 "[ . 1 . 2]"
1 43 PHE 2.546 0.120 6 0 "[ . 1 . 2]"
1 44 ASP 1.254 0.120 6 0 "[ . 1 . 2]"
1 45 ALA 4.435 0.186 12 0 "[ . 1 . 2]"
1 46 LEU 1.794 0.095 5 0 "[ . 1 . 2]"
1 47 LEU 3.052 0.095 5 0 "[ . 1 . 2]"
1 48 ALA 5.915 0.186 12 0 "[ . 1 . 2]"
1 49 ASP 0.003 0.002 4 0 "[ . 1 . 2]"
1 50 LEU 4.385 0.094 4 0 "[ . 1 . 2]"
1 51 THR 1.484 0.093 19 0 "[ . 1 . 2]"
1 52 ARG 0.085 0.029 18 0 "[ . 1 . 2]"
1 53 SER 2.314 0.094 4 0 "[ . 1 . 2]"
1 54 LEU 5.524 0.155 1 0 "[ . 1 . 2]"
1 55 SER 0.169 0.041 11 0 "[ . 1 . 2]"
1 56 ASP 0.645 0.066 4 0 "[ . 1 . 2]"
1 57 ASN 0.774 0.066 4 0 "[ . 1 . 2]"
1 58 ILE 2.187 0.137 18 0 "[ . 1 . 2]"
1 59 ASN 0.508 0.051 14 0 "[ . 1 . 2]"
1 60 LEU 1.151 0.074 11 0 "[ . 1 . 2]"
1 61 PRO 2.215 0.091 11 0 "[ . 1 . 2]"
1 62 GLN 2.101 0.091 11 0 "[ . 1 . 2]"
1 63 GLY 1.919 0.160 16 0 "[ . 1 . 2]"
1 64 VAL 4.140 0.160 16 0 "[ . 1 . 2]"
1 65 ARG 3.189 0.171 20 0 "[ . 1 . 2]"
1 66 TYR 6.293 0.171 20 0 "[ . 1 . 2]"
1 67 ILE 2.671 0.095 17 0 "[ . 1 . 2]"
1 68 TYR 4.117 0.140 15 0 "[ . 1 . 2]"
1 69 THR 2.855 0.140 15 0 "[ . 1 . 2]"
1 70 ILE 1.123 0.032 1 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.161 0.040 8 0 "[ . 1 . 2]"
1 74 ARG 2.707 0.145 17 0 "[ . 1 . 2]"
1 75 LYS 5.086 0.145 17 0 "[ . 1 . 2]"
1 76 ILE 4.860 0.080 5 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.455 0.030 17 0 "[ . 1 . 2]"
1 79 MET 1.724 0.059 17 0 "[ . 1 . 2]"
1 80 ASP 2.744 0.136 17 0 "[ . 1 . 2]"
1 81 GLU 1.985 0.073 10 0 "[ . 1 . 2]"
1 82 LEU 1.440 0.047 7 0 "[ . 1 . 2]"
1 83 GLU 0.928 0.056 2 0 "[ . 1 . 2]"
1 84 GLU 1.757 0.104 5 0 "[ . 1 . 2]"
1 85 GLY 3.341 0.104 5 0 "[ . 1 . 2]"
1 86 GLU 0.010 0.008 17 0 "[ . 1 . 2]"
1 87 SER 0.072 0.019 20 0 "[ . 1 . 2]"
1 88 TYR 9.013 0.191 2 0 "[ . 1 . 2]"
1 89 VAL 8.833 0.191 2 0 "[ . 1 . 2]"
1 90 CYS 1.942 0.102 11 0 "[ . 1 . 2]"
1 91 SER 1.867 0.082 13 0 "[ . 1 . 2]"
1 92 SER 0.057 0.012 16 0 "[ . 1 . 2]"
1 93 ASP 0.752 0.082 13 0 "[ . 1 . 2]"
1 94 ASN 0.411 0.059 15 0 "[ . 1 . 2]"
1 95 PHE 0.223 0.202 15 0 "[ . 1 . 2]"
1 96 PHE 0.921 0.202 15 0 "[ . 1 . 2]"
1 97 LYS 0.612 0.096 15 0 "[ . 1 . 2]"
1 98 LYS 0.639 0.136 16 0 "[ . 1 . 2]"
1 99 VAL 2.289 0.136 16 0 "[ . 1 . 2]"
1 100 GLU 1.167 0.132 16 0 "[ . 1 . 2]"
1 101 TYR 1.441 0.067 14 0 "[ . 1 . 2]"
1 102 THR 1.335 0.099 11 0 "[ . 1 . 2]"
1 103 LYS 2.585 0.162 4 0 "[ . 1 . 2]"
1 104 ASN 2.651 0.162 4 0 "[ . 1 . 2]"
1 105 VAL 1.679 0.099 11 0 "[ . 1 . 2]"
1 106 ASN 0.001 0.001 6 0 "[ . 1 . 2]"
1 107 PRO 0.267 0.044 7 0 "[ . 1 . 2]"
1 108 ASN 0.415 0.044 7 0 "[ . 1 . 2]"
1 109 TRP 1.742 0.077 5 0 "[ . 1 . 2]"
1 110 SER 0.231 0.025 15 0 "[ . 1 . 2]"
1 111 VAL 0.536 0.045 10 0 "[ . 1 . 2]"
1 112 ASN 0.342 0.113 16 0 "[ . 1 . 2]"
1 113 VAL 0.282 0.113 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 MET HA 1 4 ASP H 1.800 . 3.600 2.860 2.217 3.571 . 0 0 "[ . 1 . 2]" 2
2 1 4 ASP QB 1 5 PRO QD 1.800 . 5.000 2.856 1.844 3.868 . 0 0 "[ . 1 . 2]" 2
3 1 5 PRO HA 1 8 ALA MB 1.800 . 5.000 4.246 2.845 5.014 0.014 20 0 "[ . 1 . 2]" 2
4 1 5 PRO QG 1 6 GLU H 1.800 . 5.000 3.931 1.947 4.877 . 0 0 "[ . 1 . 2]" 2
5 1 5 PRO QD 1 6 GLU H 1.800 . 5.000 4.096 2.527 5.005 0.005 14 0 "[ . 1 . 2]" 2
6 1 6 GLU H 1 6 GLU QB 1.800 . 3.600 2.742 2.085 3.492 . 0 0 "[ . 1 . 2]" 2
7 1 6 GLU H 1 7 PHE H 1.800 . 3.600 2.825 1.983 3.654 0.054 16 0 "[ . 1 . 2]" 2
8 1 6 GLU HA 1 7 PHE H 1.800 . 3.600 3.211 2.224 3.573 . 0 0 "[ . 1 . 2]" 2
9 1 7 PHE HA 1 8 ALA H 1.800 . 3.600 2.849 2.140 3.567 . 0 0 "[ . 1 . 2]" 2
10 1 7 PHE QB 1 8 ALA H 1.800 . 5.000 3.305 1.976 4.034 . 0 0 "[ . 1 . 2]" 2
11 1 8 ALA H 1 8 ALA MB 1.800 . 3.600 2.554 2.100 2.967 . 0 0 "[ . 1 . 2]" 2
12 1 8 ALA HA 1 9 LEU H 1.800 . 3.200 2.461 2.137 3.412 0.212 20 0 "[ . 1 . 2]" 2
13 1 8 ALA MB 1 9 LEU H 1.800 . 4.200 3.131 1.864 3.724 . 0 0 "[ . 1 . 2]" 2
14 1 9 LEU HA 1 9 LEU MD2 1.800 . 4.200 2.981 1.944 3.983 . 0 0 "[ . 1 . 2]" 2
15 1 9 LEU HA 1 10 SER H 1.800 . 3.200 2.479 2.139 3.461 0.261 5 0 "[ . 1 . 2]" 2
16 1 10 SER HA 1 11 ASN H 1.800 . 3.600 2.650 2.138 3.549 . 0 0 "[ . 1 . 2]" 2
17 1 11 ASN QB 1 12 GLU H 1.800 . 3.600 2.852 1.944 3.595 . 0 0 "[ . 1 . 2]" 2
18 1 12 GLU H 1 12 GLU QB 1.800 . 3.200 2.850 2.247 3.230 0.030 12 0 "[ . 1 . 2]" 2
19 1 12 GLU HA 1 12 GLU QG 1.800 . 4.200 2.421 2.021 3.407 . 0 0 "[ . 1 . 2]" 2
20 1 12 GLU HA 1 13 LYS H 1.800 . 3.200 2.417 2.149 3.189 . 0 0 "[ . 1 . 2]" 2
21 1 13 LYS H 1 13 LYS QB 1.800 . 3.200 2.643 2.152 3.216 0.016 11 0 "[ . 1 . 2]" 2
22 1 13 LYS H 1 13 LYS QG 1.800 . 3.600 2.582 1.964 3.536 . 0 0 "[ . 1 . 2]" 2
23 1 13 LYS HA 1 14 LYS H 1.800 . 3.200 2.526 2.149 3.215 0.015 15 0 "[ . 1 . 2]" 2
24 1 14 LYS H 1 14 LYS QB 1.800 . 3.600 2.862 2.088 3.428 . 0 0 "[ . 1 . 2]" 2
25 1 14 LYS HA 1 14 LYS QG 1.800 . 3.600 2.459 2.056 3.411 . 0 0 "[ . 1 . 2]" 2
26 1 14 LYS HA 1 15 ALA H 1.800 . 3.200 2.522 2.135 3.367 0.167 8 0 "[ . 1 . 2]" 2
27 1 14 LYS HA 1 15 ALA MB 1.800 . 4.200 4.077 3.709 4.244 0.044 20 0 "[ . 1 . 2]" 2
28 1 14 LYS QB 1 15 ALA H 1.800 . 3.600 2.616 1.996 3.475 . 0 0 "[ . 1 . 2]" 2
29 1 14 LYS QG 1 15 ALA H 1.800 . 4.200 3.330 2.092 4.209 0.009 7 0 "[ . 1 . 2]" 2
30 1 15 ALA H 1 15 ALA MB 1.800 . 3.200 2.656 2.175 2.944 . 0 0 "[ . 1 . 2]" 2
31 1 15 ALA H 1 36 SER QB 1.800 . 4.200 3.500 2.521 4.207 0.007 19 0 "[ . 1 . 2]" 2
32 1 15 ALA HA 1 16 LYS H 1.800 . 3.200 2.538 2.156 2.862 . 0 0 "[ . 1 . 2]" 2
33 1 15 ALA HA 1 35 VAL H 1.800 . 5.000 4.413 4.106 4.957 . 0 0 "[ . 1 . 2]" 2
34 1 15 ALA HA 1 36 SER QB 1.800 . 4.200 2.152 1.930 3.116 . 0 0 "[ . 1 . 2]" 2
35 1 15 ALA MB 1 16 LYS H 1.800 . 3.200 2.290 1.916 3.064 . 0 0 "[ . 1 . 2]" 2
36 1 15 ALA MB 1 35 VAL H 1.800 . 4.200 3.145 2.337 4.022 . 0 0 "[ . 1 . 2]" 2
37 1 15 ALA MB 1 35 VAL HB 1.800 . 5.000 4.771 4.157 5.025 0.025 3 0 "[ . 1 . 2]" 2
38 1 15 ALA MB 1 36 SER H 1.800 . 5.000 4.024 3.393 4.466 . 0 0 "[ . 1 . 2]" 2
39 1 15 ALA MB 1 36 SER QB 1.800 . 3.600 2.050 1.813 2.662 . 0 0 "[ . 1 . 2]" 2
40 1 16 LYS H 1 16 LYS QB 1.800 . 3.600 2.699 2.437 2.874 . 0 0 "[ . 1 . 2]" 2
41 1 16 LYS H 1 16 LYS QG 1.800 . 4.200 3.044 2.235 3.594 . 0 0 "[ . 1 . 2]" 2
42 1 16 LYS H 1 16 LYS QD 1.800 . 5.000 3.899 2.315 4.787 . 0 0 "[ . 1 . 2]" 2
43 1 16 LYS H 1 17 LYS H 1.800 . 5.000 4.314 4.200 4.529 . 0 0 "[ . 1 . 2]" 2
44 1 16 LYS H 1 34 ALA HA 1.800 . 5.000 3.974 3.486 4.450 . 0 0 "[ . 1 . 2]" 2
45 1 16 LYS H 1 34 ALA MB 1.800 . 4.200 3.870 3.432 4.225 0.025 17 0 "[ . 1 . 2]" 2
46 1 16 LYS H 1 35 VAL H 1.800 . 3.600 2.426 2.063 2.969 . 0 0 "[ . 1 . 2]" 2
47 1 16 LYS H 1 35 VAL HB 1.800 . 5.000 3.683 3.269 3.993 . 0 0 "[ . 1 . 2]" 2
48 1 16 LYS H 1 35 VAL MG2 1.800 . 5.000 4.027 3.806 4.261 . 0 0 "[ . 1 . 2]" 2
49 1 16 LYS HA 1 17 LYS H 1.800 . 3.200 2.176 2.149 2.213 . 0 0 "[ . 1 . 2]" 2
50 1 16 LYS QB 1 16 LYS QE 1.800 . 5.000 3.353 2.398 3.698 . 0 0 "[ . 1 . 2]" 2
51 1 16 LYS QB 1 35 VAL H 1.800 . 5.000 3.437 3.060 3.908 . 0 0 "[ . 1 . 2]" 2
52 1 16 LYS QB 1 35 VAL HB 1.800 . 4.200 2.969 2.539 3.536 . 0 0 "[ . 1 . 2]" 2
53 1 16 LYS QB 1 35 VAL MG1 1.800 . 5.000 4.385 4.052 4.859 . 0 0 "[ . 1 . 2]" 2
54 1 16 LYS QB 1 35 VAL MG2 1.800 . 4.200 3.273 2.710 3.877 . 0 0 "[ . 1 . 2]" 2
55 1 16 LYS QB 1 17 LYS H 1.800 . 3.200 3.084 2.910 3.202 0.002 19 0 "[ . 1 . 2]" 2
56 1 16 LYS QB 1 84 GLU HA 1.800 . 4.200 2.562 1.979 2.875 . 0 0 "[ . 1 . 2]" 2
57 1 16 LYS QD 1 84 GLU H 1.800 . 5.000 3.669 2.268 5.001 0.001 15 0 "[ . 1 . 2]" 2
58 1 16 LYS QD 1 18 VAL MG1 1.800 . 5.000 4.516 4.161 5.002 0.002 3 0 "[ . 1 . 2]" 2
59 1 17 LYS H 1 17 LYS QB 1.800 . 3.200 2.199 2.158 2.345 . 0 0 "[ . 1 . 2]" 2
60 1 17 LYS H 1 17 LYS QG 1.800 . 4.200 3.537 2.736 4.076 . 0 0 "[ . 1 . 2]" 2
61 1 17 LYS H 1 17 LYS QE 1.800 . 5.000 4.541 3.858 4.996 . 0 0 "[ . 1 . 2]" 2
62 1 17 LYS H 1 18 VAL H 1.800 . 4.200 4.372 4.365 4.378 0.178 5 0 "[ . 1 . 2]" 2
63 1 17 LYS H 1 84 GLU HA 1.800 . 4.200 2.433 2.003 2.723 . 0 0 "[ . 1 . 2]" 2
64 1 17 LYS H 1 84 GLU QG 1.800 . 4.200 3.000 2.478 4.240 0.040 8 0 "[ . 1 . 2]" 2
65 1 17 LYS H 1 85 GLY H 1.800 . 5.000 2.875 2.722 3.042 . 0 0 "[ . 1 . 2]" 2
66 1 17 LYS HA 1 17 LYS QG 1.800 . 4.200 2.361 2.024 2.763 . 0 0 "[ . 1 . 2]" 2
67 1 17 LYS HA 1 18 VAL H 1.800 . 3.200 2.093 2.078 2.110 . 0 0 "[ . 1 . 2]" 2
68 1 17 LYS HA 1 18 VAL MG2 1.800 . 5.000 3.562 3.496 3.610 . 0 0 "[ . 1 . 2]" 2
69 1 17 LYS HA 1 34 ALA HA 1.800 . 3.200 2.832 2.653 2.913 . 0 0 "[ . 1 . 2]" 2
70 1 17 LYS HA 1 34 ALA MB 1.800 . 5.000 3.783 3.581 4.060 . 0 0 "[ . 1 . 2]" 2
71 1 17 LYS HA 1 35 VAL H 1.800 . 4.200 4.080 3.857 4.203 0.003 11 0 "[ . 1 . 2]" 2
72 1 17 LYS QB 1 18 VAL H 1.800 . 5.000 3.436 3.283 3.744 . 0 0 "[ . 1 . 2]" 2
73 1 17 LYS QB 1 32 VAL MG1 1.800 . 3.600 3.576 3.267 3.662 0.062 13 0 "[ . 1 . 2]" 2
74 1 17 LYS QG 1 34 ALA HA 1.800 . 5.000 3.947 3.524 4.573 . 0 0 "[ . 1 . 2]" 2
75 1 17 LYS QG 1 32 VAL MG1 1.800 . 4.200 3.308 1.898 4.208 0.008 3 0 "[ . 1 . 2]" 2
76 1 17 LYS QD 1 32 VAL MG1 1.800 . 4.200 3.118 2.146 4.207 0.007 1 0 "[ . 1 . 2]" 2
77 1 17 LYS QE 1 32 VAL MG1 1.800 . 4.200 3.388 2.078 4.202 0.002 6 0 "[ . 1 . 2]" 2
78 1 17 LYS QE 1 34 ALA MB 1.800 . 4.200 2.389 1.868 3.624 . 0 0 "[ . 1 . 2]" 2
79 1 18 VAL H 1 18 VAL MG1 1.800 . 4.200 3.116 3.053 3.152 . 0 0 "[ . 1 . 2]" 2
80 1 18 VAL H 1 18 VAL MG2 1.800 . 3.600 2.021 1.961 2.101 . 0 0 "[ . 1 . 2]" 2
81 1 18 VAL H 1 32 VAL MG1 1.800 . 4.200 3.091 2.780 3.370 . 0 0 "[ . 1 . 2]" 2
82 1 18 VAL H 1 33 TYR H 1.800 . 4.200 3.228 2.886 3.444 . 0 0 "[ . 1 . 2]" 2
83 1 18 VAL H 1 34 ALA HA 1.800 . 5.000 3.620 3.472 3.818 . 0 0 "[ . 1 . 2]" 2
84 1 18 VAL H 1 34 ALA MB 1.800 . 5.000 4.806 4.714 4.961 . 0 0 "[ . 1 . 2]" 2
85 1 18 VAL H 1 35 VAL H 1.800 . 5.000 4.809 4.369 5.017 0.017 6 0 "[ . 1 . 2]" 2
86 1 18 VAL H 1 35 VAL MG2 1.800 . 5.000 4.033 3.788 4.195 . 0 0 "[ . 1 . 2]" 2
87 1 18 VAL HA 1 18 VAL MG1 1.800 . 3.600 2.226 2.197 2.239 . 0 0 "[ . 1 . 2]" 2
88 1 18 VAL HA 1 19 ARG H 1.800 . 3.200 2.252 2.223 2.289 . 0 0 "[ . 1 . 2]" 2
89 1 18 VAL HA 1 85 GLY H 1.800 . 4.200 4.202 3.993 4.238 0.038 5 0 "[ . 1 . 2]" 2
90 1 18 VAL HA 1 109 TRP HH2 1.800 . 4.200 3.562 3.067 4.209 0.009 5 0 "[ . 1 . 2]" 2
91 1 18 VAL HB 1 19 ARG H 1.800 . 3.200 2.570 2.507 2.628 . 0 0 "[ . 1 . 2]" 2
92 1 18 VAL HB 1 35 VAL MG2 1.800 . 5.000 4.685 4.416 5.002 0.002 13 0 "[ . 1 . 2]" 2
93 1 18 VAL HB 1 88 TYR QE 1.800 . 4.200 4.137 3.917 4.218 0.018 9 0 "[ . 1 . 2]" 2
94 1 18 VAL MG1 1 19 ARG H 1.800 . 4.200 3.631 3.593 3.670 . 0 0 "[ . 1 . 2]" 2
95 1 18 VAL MG1 1 20 PHE QD 1.800 . 4.200 4.313 4.296 4.331 0.131 2 0 "[ . 1 . 2]" 2
96 1 18 VAL MG1 1 83 GLU H 1.800 . 4.200 3.913 3.689 4.061 . 0 0 "[ . 1 . 2]" 2
97 1 18 VAL MG1 1 84 GLU HA 1.800 . 4.200 3.684 3.318 3.806 . 0 0 "[ . 1 . 2]" 2
98 1 18 VAL MG1 1 85 GLY H 1.800 . 5.000 4.129 3.921 4.344 . 0 0 "[ . 1 . 2]" 2
99 1 18 VAL MG1 1 86 GLU H 1.800 . 4.200 2.333 1.981 2.729 . 0 0 "[ . 1 . 2]" 2
100 1 18 VAL MG1 1 86 GLU QB 1.800 . 5.000 1.976 1.830 2.172 . 0 0 "[ . 1 . 2]" 2
101 1 18 VAL MG1 1 88 TYR QE 1.800 . 4.200 2.280 2.113 2.412 . 0 0 "[ . 1 . 2]" 2
102 1 18 VAL MG2 1 19 ARG H 1.800 . 3.600 3.629 3.613 3.645 0.045 2 0 "[ . 1 . 2]" 2
103 1 18 VAL MG2 1 20 PHE H 1.800 . 3.600 3.663 3.654 3.673 0.073 13 0 "[ . 1 . 2]" 2
104 1 18 VAL MG2 1 20 PHE QD 1.800 . 4.200 2.951 2.873 3.021 . 0 0 "[ . 1 . 2]" 2
105 1 18 VAL MG2 1 33 TYR H 1.800 . 4.200 2.789 2.669 2.924 . 0 0 "[ . 1 . 2]" 2
106 1 18 VAL MG2 1 33 TYR QB 1.800 . 4.200 2.903 2.672 3.090 . 0 0 "[ . 1 . 2]" 2
107 1 18 VAL MG2 1 35 VAL H 1.800 . 5.000 4.191 3.681 4.475 . 0 0 "[ . 1 . 2]" 2
108 1 18 VAL MG2 1 35 VAL HB 1.800 . 5.000 4.484 4.253 4.635 . 0 0 "[ . 1 . 2]" 2
109 1 18 VAL MG2 1 35 VAL MG2 1.800 . 3.200 2.424 2.295 2.607 . 0 0 "[ . 1 . 2]" 2
110 1 18 VAL MG2 1 88 TYR QE 1.800 . 4.200 4.221 4.206 4.238 0.038 20 0 "[ . 1 . 2]" 2
111 1 19 ARG H 1 19 ARG QB 1.800 . 3.600 2.380 2.311 2.450 . 0 0 "[ . 1 . 2]" 2
112 1 19 ARG H 1 19 ARG QG 1.800 . 5.000 3.982 3.806 4.142 . 0 0 "[ . 1 . 2]" 2
113 1 19 ARG H 1 87 SER HA 1.800 . 3.600 2.653 2.426 2.803 . 0 0 "[ . 1 . 2]" 2
114 1 19 ARG H 1 88 TYR H 1.800 . 4.200 3.674 3.413 3.867 . 0 0 "[ . 1 . 2]" 2
115 1 19 ARG H 1 109 TRP HH2 1.800 . 4.200 3.333 2.794 4.170 . 0 0 "[ . 1 . 2]" 2
116 1 19 ARG HA 1 20 PHE H 1.800 . 3.200 2.174 2.164 2.184 . 0 0 "[ . 1 . 2]" 2
117 1 19 ARG QB 1 87 SER HA 1.800 . 5.000 2.827 2.625 3.024 . 0 0 "[ . 1 . 2]" 2
118 1 19 ARG QB 1 109 TRP HH2 1.800 . 5.000 3.251 2.848 3.894 . 0 0 "[ . 1 . 2]" 2
119 1 19 ARG QG 1 30 GLY QA 1.800 . 5.000 3.944 2.870 5.015 0.015 15 0 "[ . 1 . 2]" 2
120 1 19 ARG QD 1 21 TYR QE 1.800 . 5.000 3.383 2.102 4.548 . 0 0 "[ . 1 . 2]" 2
121 1 19 ARG QD 1 109 TRP HE1 1.800 . 5.000 3.827 2.583 5.010 0.010 17 0 "[ . 1 . 2]" 2
122 1 20 PHE H 1 20 PHE HB2 1.800 . 3.600 2.325 2.300 2.356 . 0 0 "[ . 1 . 2]" 2
123 1 20 PHE H 1 20 PHE QD 1.800 . 4.200 3.354 3.264 3.435 . 0 0 "[ . 1 . 2]" 2
124 1 20 PHE H 1 31 ILE H 1.800 . 3.600 3.483 3.034 3.641 0.041 19 0 "[ . 1 . 2]" 2
125 1 20 PHE H 1 31 ILE MG 1.800 . 5.000 3.716 3.288 3.903 . 0 0 "[ . 1 . 2]" 2
126 1 20 PHE H 1 32 VAL HA 1.800 . 4.200 2.812 2.587 3.200 . 0 0 "[ . 1 . 2]" 2
127 1 20 PHE H 1 33 TYR H 1.800 . 5.000 3.756 3.483 4.140 . 0 0 "[ . 1 . 2]" 2
128 1 20 PHE HA 1 20 PHE QE 1.800 . 5.000 4.186 4.160 4.228 . 0 0 "[ . 1 . 2]" 2
129 1 20 PHE HA 1 21 TYR H 1.800 . 3.200 2.071 2.064 2.084 . 0 0 "[ . 1 . 2]" 2
130 1 20 PHE HA 1 21 TYR QD 1.800 . 5.000 3.416 2.762 4.412 . 0 0 "[ . 1 . 2]" 2
131 1 20 PHE HA 1 88 TYR H 1.800 . 3.600 2.906 2.820 3.028 . 0 0 "[ . 1 . 2]" 2
132 1 20 PHE HB2 1 21 TYR H 1.800 . 5.000 4.251 4.220 4.273 . 0 0 "[ . 1 . 2]" 2
133 1 20 PHE HB2 1 31 ILE H 1.800 . 4.200 3.248 3.025 3.437 . 0 0 "[ . 1 . 2]" 2
134 1 20 PHE HB2 1 31 ILE MG 1.800 . 4.200 2.539 2.097 2.811 . 0 0 "[ . 1 . 2]" 2
135 1 20 PHE HB2 1 50 LEU MD2 1.800 . 5.000 4.206 3.758 4.710 . 0 0 "[ . 1 . 2]" 2
136 1 20 PHE HB3 1 21 TYR H 1.800 . 5.000 3.238 3.216 3.259 . 0 0 "[ . 1 . 2]" 2
137 1 20 PHE HB3 1 31 ILE MG 1.800 . 5.000 3.355 3.125 3.608 . 0 0 "[ . 1 . 2]" 2
138 1 20 PHE HB3 1 50 LEU MD2 1.800 . 5.000 4.324 3.850 4.835 . 0 0 "[ . 1 . 2]" 2
139 1 20 PHE QD 1 21 TYR H 1.800 . 4.200 3.643 3.561 3.736 . 0 0 "[ . 1 . 2]" 2
140 1 20 PHE QD 1 33 TYR H 1.800 . 5.000 4.595 4.466 4.752 . 0 0 "[ . 1 . 2]" 2
141 1 20 PHE QD 1 33 TYR HB2 1.800 . 4.200 2.859 2.591 3.044 . 0 0 "[ . 1 . 2]" 2
142 1 20 PHE QD 1 33 TYR HB3 1.800 . 5.000 3.993 3.750 4.205 . 0 0 "[ . 1 . 2]" 2
143 1 20 PHE QD 1 50 LEU MD2 1.800 . 4.200 2.167 1.850 2.561 . 0 0 "[ . 1 . 2]" 2
144 1 20 PHE QD 1 88 TYR H 1.800 . 5.000 2.810 2.719 2.887 . 0 0 "[ . 1 . 2]" 2
145 1 20 PHE QD 1 88 TYR HB2 1.800 . 4.200 1.986 1.892 2.063 . 0 0 "[ . 1 . 2]" 2
146 1 20 PHE QD 1 88 TYR HB3 1.800 . 3.600 3.451 3.351 3.580 . 0 0 "[ . 1 . 2]" 2
147 1 20 PHE QE 1 33 TYR H 1.800 . 5.000 4.991 4.736 5.042 0.042 11 0 "[ . 1 . 2]" 2
148 1 20 PHE QE 1 33 TYR HB2 1.800 . 3.600 3.156 2.655 3.513 . 0 0 "[ . 1 . 2]" 2
149 1 20 PHE QE 1 33 TYR HB3 1.800 . 4.200 3.173 2.657 3.602 . 0 0 "[ . 1 . 2]" 2
150 1 20 PHE QE 1 88 TYR H 1.800 . 4.200 4.215 4.141 4.239 0.039 13 0 "[ . 1 . 2]" 2
151 1 20 PHE QE 1 88 TYR HB2 1.800 . 4.200 2.378 2.315 2.418 . 0 0 "[ . 1 . 2]" 2
152 1 20 PHE QE 1 88 TYR HB3 1.800 . 3.600 3.606 3.579 3.616 0.016 18 0 "[ . 1 . 2]" 2
153 1 21 TYR H 1 21 TYR QD 1.800 . 4.200 2.571 2.061 3.392 . 0 0 "[ . 1 . 2]" 2
154 1 21 TYR H 1 88 TYR H 1.800 . 5.000 3.711 3.577 3.925 . 0 0 "[ . 1 . 2]" 2
155 1 21 TYR H 1 89 VAL HA 1.800 . 4.200 2.864 2.753 3.099 . 0 0 "[ . 1 . 2]" 2
156 1 21 TYR H 1 89 VAL MG2 1.800 . 5.000 3.811 3.593 4.175 . 0 0 "[ . 1 . 2]" 2
157 1 21 TYR H 1 90 CYS H 1.800 . 4.200 3.920 3.782 4.002 . 0 0 "[ . 1 . 2]" 2
158 1 21 TYR HA 1 22 ARG H 1.800 . 3.600 2.235 2.213 2.254 . 0 0 "[ . 1 . 2]" 2
159 1 21 TYR HA 1 28 PHE QD 1.800 . 4.200 3.810 3.453 4.128 . 0 0 "[ . 1 . 2]" 2
160 1 21 TYR HA 1 28 PHE QE 1.800 . 4.200 4.201 3.921 4.232 0.032 11 0 "[ . 1 . 2]" 2
161 1 21 TYR HB2 1 22 ARG H 1.800 . 3.600 3.749 3.726 3.760 0.160 2 0 "[ . 1 . 2]" 2
162 1 21 TYR HB2 1 89 VAL HA 1.800 . 5.000 2.769 2.680 2.885 . 0 0 "[ . 1 . 2]" 2
163 1 21 TYR HB2 1 89 VAL MG2 1.800 . 4.200 2.362 2.051 2.801 . 0 0 "[ . 1 . 2]" 2
164 1 21 TYR HB3 1 22 ARG H 1.800 . 5.000 2.808 2.785 2.839 . 0 0 "[ . 1 . 2]" 2
165 1 21 TYR HB3 1 89 VAL HA 1.800 . 5.000 4.282 4.178 4.446 . 0 0 "[ . 1 . 2]" 2
166 1 21 TYR HB3 1 89 VAL MG2 1.800 . 4.200 3.550 3.243 4.029 . 0 0 "[ . 1 . 2]" 2
167 1 21 TYR HB3 1 90 CYS H 1.800 . 5.000 5.074 5.055 5.102 0.102 11 0 "[ . 1 . 2]" 2
168 1 21 TYR QD 1 22 ARG H 1.800 . 5.000 4.199 3.984 4.431 . 0 0 "[ . 1 . 2]" 2
169 1 21 TYR QD 1 70 ILE MD 1.800 . 4.200 3.499 2.832 4.213 0.013 7 0 "[ . 1 . 2]" 2
170 1 21 TYR QD 1 87 SER HB2 1.800 . 5.000 4.968 4.790 5.019 0.019 20 0 "[ . 1 . 2]" 2
171 1 21 TYR QD 1 87 SER HB3 1.800 . 5.000 3.348 3.151 3.648 . 0 0 "[ . 1 . 2]" 2
172 1 21 TYR QD 1 88 TYR H 1.800 . 5.000 3.043 2.731 3.928 . 0 0 "[ . 1 . 2]" 2
173 1 21 TYR QE 1 29 LYS HA 1.800 . 5.000 3.267 2.475 4.189 . 0 0 "[ . 1 . 2]" 2
174 1 21 TYR QE 1 70 ILE MD 1.800 . 4.200 3.282 2.510 3.989 . 0 0 "[ . 1 . 2]" 2
175 1 21 TYR QE 1 87 SER HA 1.800 . 5.000 2.668 2.357 3.441 . 0 0 "[ . 1 . 2]" 2
176 1 21 TYR QE 1 87 SER HB2 1.800 . 4.200 3.614 3.375 3.927 . 0 0 "[ . 1 . 2]" 2
177 1 21 TYR QE 1 87 SER HB3 1.800 . 4.200 2.075 1.938 2.304 . 0 0 "[ . 1 . 2]" 2
178 1 21 TYR QE 1 102 THR MG 1.800 . 5.000 3.376 2.375 4.610 . 0 0 "[ . 1 . 2]" 2
179 1 21 TYR QE 1 105 VAL MG2 1.800 . 5.000 3.552 2.251 4.494 . 0 0 "[ . 1 . 2]" 2
180 1 22 ARG H 1 22 ARG HE 1.800 . 5.000 4.650 3.216 5.025 0.025 1 0 "[ . 1 . 2]" 2
181 1 22 ARG H 1 28 PHE QD 1.800 . 4.200 3.232 2.757 3.710 . 0 0 "[ . 1 . 2]" 2
182 1 22 ARG H 1 28 PHE QE 1.800 . 5.000 4.367 3.669 4.738 . 0 0 "[ . 1 . 2]" 2
183 1 22 ARG QB 1 22 ARG HE 1.800 . 4.200 2.444 1.845 4.198 . 0 0 "[ . 1 . 2]" 2
184 1 22 ARG QB 1 25 ASP QB 1.800 . 5.000 3.196 2.302 4.248 . 0 0 "[ . 1 . 2]" 2
185 1 22 ARG QG 1 25 ASP QB 1.800 . 5.000 3.529 1.986 4.987 . 0 0 "[ . 1 . 2]" 2
186 1 22 ARG QD 1 59 ASN QB 1.800 . 4.200 3.806 1.861 4.213 0.013 7 0 "[ . 1 . 2]" 2
187 1 22 ARG QD 1 60 LEU MD1 1.800 . 4.200 3.135 1.995 4.208 0.008 15 0 "[ . 1 . 2]" 2
188 1 22 ARG HE 1 25 ASP QB 1.800 . 4.200 3.545 2.572 4.253 0.053 15 0 "[ . 1 . 2]" 2
189 1 22 ARG HE 1 59 ASN QD 1.800 . 4.200 3.583 1.888 4.205 0.005 11 0 "[ . 1 . 2]" 2
190 1 22 ARG HE 1 60 LEU MD1 1.800 . 5.000 3.579 1.976 5.001 0.001 11 0 "[ . 1 . 2]" 2
191 1 22 ARG QH1 1 28 PHE QB 1.800 . 5.000 3.672 2.059 4.744 . 0 0 "[ . 1 . 2]" 2
192 1 22 ARG QH2 1 60 LEU MD1 1.800 . 5.000 4.545 3.298 5.017 0.017 14 0 "[ . 1 . 2]" 2
193 1 23 ASN H 1 23 ASN HB2 1.800 . 3.600 2.458 2.101 2.699 . 0 0 "[ . 1 . 2]" 2
194 1 23 ASN H 1 23 ASN HB3 1.800 . 3.200 2.637 2.382 3.219 0.019 3 0 "[ . 1 . 2]" 2
195 1 23 ASN H 1 23 ASN QD 1.800 . 5.000 4.451 3.848 4.551 . 0 0 "[ . 1 . 2]" 2
196 1 23 ASN H 1 60 LEU MD2 1.800 . 4.200 3.982 3.507 4.224 0.024 20 0 "[ . 1 . 2]" 2
197 1 23 ASN H 1 89 VAL MG1 1.800 . 3.600 2.368 2.199 2.511 . 0 0 "[ . 1 . 2]" 2
198 1 23 ASN H 1 90 CYS H 1.800 . 4.200 2.569 2.422 2.761 . 0 0 "[ . 1 . 2]" 2
199 1 23 ASN H 1 91 SER HA 1.800 . 5.000 4.354 4.242 4.439 . 0 0 "[ . 1 . 2]" 2
200 1 23 ASN HA 1 24 GLY H 1.800 . 3.200 2.142 2.110 2.270 . 0 0 "[ . 1 . 2]" 2
201 1 23 ASN HB2 1 60 LEU MD2 1.800 . 5.000 4.925 4.047 5.018 0.018 14 0 "[ . 1 . 2]" 2
202 1 23 ASN HB2 1 89 VAL MG1 1.800 . 4.200 1.951 1.856 2.437 . 0 0 "[ . 1 . 2]" 2
203 1 23 ASN HB2 1 91 SER HA 1.800 . 4.200 3.651 2.995 4.205 0.005 11 0 "[ . 1 . 2]" 2
204 1 23 ASN HB2 1 91 SER HB3 1.800 . 5.000 4.724 4.357 5.001 0.001 7 0 "[ . 1 . 2]" 2
205 1 23 ASN HB2 1 97 LYS H 1.800 . 5.000 4.760 4.107 5.033 0.033 10 0 "[ . 1 . 2]" 2
206 1 23 ASN HB3 1 60 LEU MD2 1.800 . 5.000 4.146 3.812 5.000 0.000 8 0 "[ . 1 . 2]" 2
207 1 23 ASN HB3 1 89 VAL MG1 1.800 . 4.200 3.246 2.941 3.661 . 0 0 "[ . 1 . 2]" 2
208 1 23 ASN HB3 1 89 VAL MG2 1.800 . 5.000 5.056 5.032 5.095 0.095 7 0 "[ . 1 . 2]" 2
209 1 23 ASN HB3 1 91 SER HA 1.800 . 5.000 3.272 3.011 3.880 . 0 0 "[ . 1 . 2]" 2
210 1 23 ASN QD 1 91 SER HA 1.800 . 5.000 3.365 2.990 4.106 . 0 0 "[ . 1 . 2]" 2
211 1 23 ASN QD 1 91 SER HB2 1.800 . 5.000 4.596 3.743 5.012 0.012 20 0 "[ . 1 . 2]" 2
212 1 23 ASN QD 1 91 SER HB3 1.800 . 5.000 3.481 2.947 4.184 . 0 0 "[ . 1 . 2]" 2
213 1 23 ASN QD 1 96 PHE HA 1.800 . 4.200 2.093 1.813 2.670 . 0 0 "[ . 1 . 2]" 2
214 1 23 ASN QD 1 97 LYS H 1.800 . 4.200 3.175 1.923 3.885 . 0 0 "[ . 1 . 2]" 2
215 1 23 ASN QD 1 97 LYS QG 1.800 . 4.200 3.693 2.866 4.217 0.017 7 0 "[ . 1 . 2]" 2
216 1 24 GLY H 1 25 ASP H 1.800 . 4.200 2.958 2.158 3.481 . 0 0 "[ . 1 . 2]" 2
217 1 24 GLY H 1 89 VAL MG1 1.800 . 4.200 4.237 4.208 4.275 0.075 7 0 "[ . 1 . 2]" 2
218 1 24 GLY H 1 97 LYS QB 1.800 . 4.200 3.087 2.437 3.828 . 0 0 "[ . 1 . 2]" 2
219 1 24 GLY H 1 99 VAL MG2 1.800 . 5.000 3.288 2.559 4.743 . 0 0 "[ . 1 . 2]" 2
220 1 24 GLY H 1 101 TYR QE 1.800 . 4.200 3.478 2.610 4.054 . 0 0 "[ . 1 . 2]" 2
221 1 24 GLY QA 1 97 LYS QB 1.800 . 3.600 2.759 2.146 3.306 . 0 0 "[ . 1 . 2]" 2
222 1 24 GLY QA 1 97 LYS QG 1.800 . 5.000 2.928 1.858 4.201 . 0 0 "[ . 1 . 2]" 2
223 1 24 GLY QA 1 97 LYS QD 1.800 . 4.200 3.007 2.012 4.204 0.004 11 0 "[ . 1 . 2]" 2
224 1 24 GLY QA 1 99 VAL MG1 1.800 . 4.200 3.961 2.466 4.226 0.026 8 0 "[ . 1 . 2]" 2
225 1 24 GLY QA 1 99 VAL MG2 1.800 . 4.200 3.360 2.506 4.214 0.014 16 0 "[ . 1 . 2]" 2
226 1 24 GLY QA 1 26 ARG H 1.800 . 5.000 4.252 4.080 4.821 . 0 0 "[ . 1 . 2]" 2
227 1 25 ASP H 1 25 ASP QB 1.800 . 3.600 3.011 2.658 3.330 . 0 0 "[ . 1 . 2]" 2
228 1 25 ASP H 1 26 ARG H 1.800 . 4.200 2.385 1.942 3.190 . 0 0 "[ . 1 . 2]" 2
229 1 25 ASP H 1 26 ARG QD 1.800 . 5.000 4.017 2.143 5.030 0.030 16 0 "[ . 1 . 2]" 2
230 1 25 ASP H 1 99 VAL MG2 1.800 . 5.000 3.133 2.479 3.462 . 0 0 "[ . 1 . 2]" 2
231 1 25 ASP H 1 101 TYR QE 1.800 . 4.200 4.066 3.314 4.224 0.024 2 0 "[ . 1 . 2]" 2
232 1 25 ASP QB 1 26 ARG H 1.800 . 5.000 3.178 2.135 4.003 . 0 0 "[ . 1 . 2]" 2
233 1 26 ARG H 1 26 ARG QB 1.800 . 3.600 2.944 2.387 3.432 . 0 0 "[ . 1 . 2]" 2
234 1 26 ARG H 1 26 ARG QG 1.800 . 3.200 2.874 2.260 3.232 0.032 10 0 "[ . 1 . 2]" 2
235 1 26 ARG H 1 26 ARG QD 1.800 . 4.200 3.542 1.882 4.227 0.027 6 0 "[ . 1 . 2]" 2
236 1 26 ARG H 1 99 VAL MG2 1.800 . 5.000 3.406 2.199 4.327 . 0 0 "[ . 1 . 2]" 2
237 1 26 ARG HA 1 26 ARG QG 1.800 . 4.200 2.882 2.126 3.414 . 0 0 "[ . 1 . 2]" 2
238 1 26 ARG HA 1 26 ARG QD 1.800 . 4.200 3.901 1.958 4.232 0.032 9 0 "[ . 1 . 2]" 2
239 1 26 ARG HA 1 99 VAL MG1 1.800 . 4.200 3.953 3.379 4.245 0.045 8 0 "[ . 1 . 2]" 2
240 1 26 ARG HA 1 99 VAL MG2 1.800 . 4.200 3.819 2.298 4.208 0.008 4 0 "[ . 1 . 2]" 2
241 1 26 ARG QB 1 26 ARG QD 1.800 . 3.600 2.034 1.932 2.284 . 0 0 "[ . 1 . 2]" 2
242 1 26 ARG QB 1 99 VAL MG1 1.800 . 4.200 2.793 1.867 4.250 0.050 16 0 "[ . 1 . 2]" 2
243 1 26 ARG QB 1 99 VAL MG2 1.800 . 4.200 3.633 2.209 4.257 0.057 8 0 "[ . 1 . 2]" 2
244 1 26 ARG QG 1 27 TYR QD 1.800 . 5.000 3.600 1.927 4.942 . 0 0 "[ . 1 . 2]" 2
245 1 26 ARG QG 1 99 VAL MG1 1.800 . 5.000 2.684 1.768 3.757 0.032 8 0 "[ . 1 . 2]" 2
246 1 26 ARG QG 1 99 VAL MG2 1.800 . 5.000 3.594 2.255 5.007 0.007 17 0 "[ . 1 . 2]" 2
247 1 26 ARG QD 1 27 TYR QE 1.800 . 5.000 4.731 3.824 5.019 0.019 16 0 "[ . 1 . 2]" 2
248 1 26 ARG QD 1 99 VAL HB 1.800 . 5.000 4.197 2.923 4.899 . 0 0 "[ . 1 . 2]" 2
249 1 26 ARG QD 1 99 VAL MG1 1.800 . 5.000 2.312 1.816 4.043 . 0 0 "[ . 1 . 2]" 2
250 1 26 ARG QD 1 99 VAL MG2 1.800 . 5.000 3.528 1.927 4.177 . 0 0 "[ . 1 . 2]" 2
251 1 27 TYR H 1 27 TYR QD 1.800 . 4.200 3.323 1.949 4.013 . 0 0 "[ . 1 . 2]" 2
252 1 27 TYR H 1 28 PHE H 1.800 . 3.200 2.527 1.874 3.228 0.028 3 0 "[ . 1 . 2]" 2
253 1 27 TYR HA 1 27 TYR QD 1.800 . 3.600 2.922 2.223 3.081 . 0 0 "[ . 1 . 2]" 2
254 1 27 TYR HA 1 27 TYR QE 1.800 . 5.000 4.488 4.219 4.712 . 0 0 "[ . 1 . 2]" 2
255 1 27 TYR HB3 1 28 PHE H 1.800 . 4.200 3.826 2.774 4.275 0.075 12 0 "[ . 1 . 2]" 2
256 1 28 PHE H 1 28 PHE QB 1.800 . 3.200 2.539 2.200 2.850 . 0 0 "[ . 1 . 2]" 2
257 1 28 PHE H 1 29 LYS QG 1.800 . 5.000 4.638 3.039 5.072 0.072 18 0 "[ . 1 . 2]" 2
258 1 28 PHE QD 1 29 LYS H 1.800 . 5.000 3.357 2.557 4.146 . 0 0 "[ . 1 . 2]" 2
259 1 28 PHE QD 1 54 LEU MD2 1.800 . 4.200 3.526 3.219 3.821 . 0 0 "[ . 1 . 2]" 2
260 1 28 PHE QE 1 30 GLY QA 1.800 . 4.200 2.179 1.877 2.664 . 0 0 "[ . 1 . 2]" 2
261 1 28 PHE QE 1 31 ILE H 1.800 . 5.000 3.240 2.652 3.755 . 0 0 "[ . 1 . 2]" 2
262 1 28 PHE QE 1 31 ILE HB 1.800 . 5.000 3.461 2.955 3.983 . 0 0 "[ . 1 . 2]" 2
263 1 28 PHE QE 1 31 ILE MG 1.800 . 4.200 3.234 2.873 3.618 . 0 0 "[ . 1 . 2]" 2
264 1 28 PHE QE 1 31 ILE MD 1.800 . 5.000 4.638 4.158 4.908 . 0 0 "[ . 1 . 2]" 2
265 1 28 PHE QE 1 54 LEU MD1 1.800 . 5.000 3.846 3.517 4.214 . 0 0 "[ . 1 . 2]" 2
266 1 28 PHE QE 1 54 LEU MD2 1.800 . 4.200 2.103 1.862 2.480 . 0 0 "[ . 1 . 2]" 2
267 1 28 PHE HZ 1 31 ILE HB 1.800 . 4.200 2.799 2.047 3.197 . 0 0 "[ . 1 . 2]" 2
268 1 28 PHE HZ 1 31 ILE MG 1.800 . 4.200 3.644 3.142 4.030 . 0 0 "[ . 1 . 2]" 2
269 1 28 PHE HZ 1 31 ILE QG 1.800 . 5.000 4.745 4.060 5.010 0.010 10 0 "[ . 1 . 2]" 2
270 1 28 PHE HZ 1 31 ILE MD 1.800 . 4.200 3.965 3.201 4.206 0.006 5 0 "[ . 1 . 2]" 2
271 1 28 PHE HZ 1 54 LEU MD2 1.800 . 4.200 3.156 2.655 3.859 . 0 0 "[ . 1 . 2]" 2
272 1 29 LYS H 1 29 LYS QG 1.800 . 4.200 2.768 2.054 3.969 . 0 0 "[ . 1 . 2]" 2
273 1 29 LYS HA 1 29 LYS QG 1.800 . 4.200 2.509 2.054 2.931 . 0 0 "[ . 1 . 2]" 2
274 1 29 LYS HA 1 29 LYS QD 1.800 . 5.000 3.087 2.239 4.118 . 0 0 "[ . 1 . 2]" 2
275 1 29 LYS HA 1 105 VAL MG2 1.800 . 5.000 4.289 3.426 5.021 0.021 14 0 "[ . 1 . 2]" 2
276 1 29 LYS QB 1 105 VAL MG2 1.800 . 5.000 4.594 3.686 5.004 0.004 17 0 "[ . 1 . 2]" 2
277 1 29 LYS QD 1 105 VAL HA 1.800 . 5.000 4.332 2.953 5.010 0.010 13 0 "[ . 1 . 2]" 2
278 1 29 LYS QD 1 105 VAL MG2 1.800 . 5.000 3.560 2.833 4.564 . 0 0 "[ . 1 . 2]" 2
279 1 29 LYS QE 1 105 VAL MG2 1.800 . 4.200 3.437 2.386 4.208 0.008 1 0 "[ . 1 . 2]" 2
280 1 30 GLY QA 1 31 ILE H 1.800 . 3.200 2.266 2.207 2.285 . 0 0 "[ . 1 . 2]" 2
281 1 30 GLY QA 1 31 ILE MG 1.800 . 4.200 3.504 3.457 3.559 . 0 0 "[ . 1 . 2]" 2
282 1 30 GLY QA 1 54 LEU MD1 1.800 . 4.200 4.061 3.810 4.220 0.020 2 0 "[ . 1 . 2]" 2
283 1 31 ILE H 1 31 ILE MG 1.800 . 3.200 1.912 1.884 1.947 . 0 0 "[ . 1 . 2]" 2
284 1 31 ILE HA 1 31 ILE QG 1.800 . 4.200 2.375 2.334 2.416 . 0 0 "[ . 1 . 2]" 2
285 1 31 ILE HA 1 32 VAL H 1.800 . 3.200 2.211 2.198 2.226 . 0 0 "[ . 1 . 2]" 2
286 1 31 ILE HA 1 32 VAL MG2 1.800 . 4.200 3.376 3.270 3.519 . 0 0 "[ . 1 . 2]" 2
287 1 31 ILE HB 1 31 ILE MD 1.800 . 3.600 2.299 2.125 2.404 . 0 0 "[ . 1 . 2]" 2
288 1 31 ILE HB 1 32 VAL H 1.800 . 4.200 4.054 4.031 4.082 . 0 0 "[ . 1 . 2]" 2
289 1 31 ILE HB 1 54 LEU MD2 1.800 . 5.000 3.179 2.939 3.330 . 0 0 "[ . 1 . 2]" 2
290 1 31 ILE MG 1 32 VAL H 1.800 . 5.000 3.951 3.910 3.989 . 0 0 "[ . 1 . 2]" 2
291 1 31 ILE MG 1 33 TYR QD 1.800 . 4.200 2.999 2.776 3.113 . 0 0 "[ . 1 . 2]" 2
292 1 31 ILE MG 1 33 TYR QE 1.800 . 3.600 3.404 3.197 3.599 . 0 0 "[ . 1 . 2]" 2
293 1 31 ILE MG 1 53 SER QB 1.800 . 4.200 2.985 2.719 3.244 . 0 0 "[ . 1 . 2]" 2
294 1 31 ILE MG 1 54 LEU HA 1.800 . 3.200 3.263 3.247 3.280 0.080 10 0 "[ . 1 . 2]" 2
295 1 31 ILE MG 1 54 LEU MD2 1.800 . 3.200 1.919 1.845 2.006 . 0 0 "[ . 1 . 2]" 2
296 1 31 ILE QG 1 32 VAL H 1.800 . 3.600 2.315 2.146 2.416 . 0 0 "[ . 1 . 2]" 2
297 1 31 ILE QG 1 33 TYR QD 1.800 . 5.000 2.230 2.094 2.470 . 0 0 "[ . 1 . 2]" 2
298 1 31 ILE MD 1 32 VAL H 1.800 . 5.000 4.022 3.852 4.095 . 0 0 "[ . 1 . 2]" 2
299 1 31 ILE MD 1 33 TYR QD 1.800 . 4.200 3.209 2.899 3.479 . 0 0 "[ . 1 . 2]" 2
300 1 31 ILE MD 1 33 TYR QE 1.800 . 3.600 2.012 1.887 2.306 . 0 0 "[ . 1 . 2]" 2
301 1 31 ILE MD 1 53 SER QB 1.800 . 4.200 2.816 2.355 3.429 . 0 0 "[ . 1 . 2]" 2
302 1 31 ILE MD 1 54 LEU MD2 1.800 . 3.600 3.560 3.195 3.616 0.016 19 0 "[ . 1 . 2]" 2
303 1 32 VAL H 1 32 VAL HB 1.800 . 3.200 2.614 2.556 2.669 . 0 0 "[ . 1 . 2]" 2
304 1 32 VAL H 1 32 VAL MG1 1.800 . 4.200 3.803 3.793 3.810 . 0 0 "[ . 1 . 2]" 2
305 1 32 VAL H 1 32 VAL MG2 1.800 . 3.600 2.179 1.995 2.311 . 0 0 "[ . 1 . 2]" 2
306 1 32 VAL HA 1 32 VAL MG1 1.800 . 3.600 2.289 2.179 2.369 . 0 0 "[ . 1 . 2]" 2
307 1 32 VAL HA 1 32 VAL MG2 1.800 . 3.600 2.487 2.383 2.537 . 0 0 "[ . 1 . 2]" 2
308 1 32 VAL HA 1 33 TYR H 1.800 . 3.200 2.167 2.152 2.180 . 0 0 "[ . 1 . 2]" 2
309 1 32 VAL HB 1 33 TYR H 1.800 . 5.000 4.014 3.966 4.057 . 0 0 "[ . 1 . 2]" 2
310 1 32 VAL MG1 1 33 TYR H 1.800 . 3.600 2.355 2.186 2.524 . 0 0 "[ . 1 . 2]" 2
311 1 32 VAL MG1 1 109 TRP QB 1.800 . 5.000 3.087 2.418 3.640 . 0 0 "[ . 1 . 2]" 2
312 1 32 VAL MG1 1 109 TRP HE3 1.800 . 4.200 3.013 2.364 3.366 . 0 0 "[ . 1 . 2]" 2
313 1 32 VAL MG1 1 109 TRP HZ3 1.800 . 5.000 4.130 3.609 4.537 . 0 0 "[ . 1 . 2]" 2
314 1 32 VAL MG1 1 110 SER HA 1.800 . 4.200 4.200 3.977 4.225 0.025 15 0 "[ . 1 . 2]" 2
315 1 32 VAL MG2 1 33 TYR H 1.800 . 4.200 4.083 4.024 4.123 . 0 0 "[ . 1 . 2]" 2
316 1 32 VAL MG2 1 109 TRP HA 1.800 . 5.000 4.297 3.371 4.998 . 0 0 "[ . 1 . 2]" 2
317 1 32 VAL MG2 1 109 TRP HE3 1.800 . 4.200 3.431 2.943 3.797 . 0 0 "[ . 1 . 2]" 2
318 1 32 VAL MG2 1 109 TRP HZ3 1.800 . 5.000 4.955 4.531 5.017 0.017 5 0 "[ . 1 . 2]" 2
319 1 33 TYR H 1 33 TYR HB2 1.800 . 3.600 2.622 2.588 2.658 . 0 0 "[ . 1 . 2]" 2
320 1 33 TYR H 1 33 TYR QD 1.800 . 4.200 3.695 3.670 3.729 . 0 0 "[ . 1 . 2]" 2
321 1 33 TYR HA 1 34 ALA H 1.800 . 3.200 2.204 2.171 2.230 . 0 0 "[ . 1 . 2]" 2
322 1 33 TYR HB2 1 34 ALA H 1.800 . 5.000 4.130 4.059 4.233 . 0 0 "[ . 1 . 2]" 2
323 1 33 TYR HB2 1 35 VAL MG2 1.800 . 4.200 4.224 4.200 4.240 0.040 1 0 "[ . 1 . 2]" 2
324 1 33 TYR HB3 1 34 ALA H 1.800 . 4.200 2.953 2.841 3.121 . 0 0 "[ . 1 . 2]" 2
325 1 33 TYR HB3 1 35 VAL MG2 1.800 . 3.600 3.099 3.047 3.159 . 0 0 "[ . 1 . 2]" 2
326 1 33 TYR QD 1 35 VAL MG2 1.800 . 4.200 3.962 3.813 4.187 . 0 0 "[ . 1 . 2]" 2
327 1 33 TYR QE 1 46 LEU MD1 1.800 . 4.200 3.889 3.606 4.204 0.004 12 0 "[ . 1 . 2]" 2
328 1 33 TYR QE 1 49 ASP QB 1.800 . 5.000 2.436 1.982 3.404 . 0 0 "[ . 1 . 2]" 2
329 1 33 TYR QE 1 50 LEU MD2 1.800 . 3.600 3.070 2.720 3.396 . 0 0 "[ . 1 . 2]" 2
330 1 34 ALA H 1 34 ALA MB 1.800 . 3.200 2.347 2.229 2.398 . 0 0 "[ . 1 . 2]" 2
331 1 34 ALA H 1 35 VAL MG2 1.800 . 5.000 4.068 3.899 4.319 . 0 0 "[ . 1 . 2]" 2
332 1 34 ALA HA 1 35 VAL H 1.800 . 3.200 2.230 2.126 2.293 . 0 0 "[ . 1 . 2]" 2
333 1 34 ALA HA 1 35 VAL MG2 1.800 . 4.200 3.249 3.060 3.456 . 0 0 "[ . 1 . 2]" 2
334 1 34 ALA MB 1 35 VAL H 1.800 . 3.200 2.992 2.786 3.276 0.076 9 0 "[ . 1 . 2]" 2
335 1 35 VAL H 1 35 VAL HB 1.800 . 3.600 2.994 2.814 3.112 . 0 0 "[ . 1 . 2]" 2
336 1 35 VAL H 1 35 VAL MG1 1.800 . 4.200 3.922 3.791 3.991 . 0 0 "[ . 1 . 2]" 2
337 1 35 VAL H 1 35 VAL MG2 1.800 . 3.200 2.437 2.114 2.626 . 0 0 "[ . 1 . 2]" 2
338 1 35 VAL HA 1 36 SER H 1.800 . 3.200 2.097 2.060 2.134 . 0 0 "[ . 1 . 2]" 2
339 1 35 VAL HA 1 40 PHE QD 1.800 . 4.200 2.393 2.089 2.614 . 0 0 "[ . 1 . 2]" 2
340 1 35 VAL HA 1 40 PHE QE 1.800 . 4.200 2.682 2.089 3.465 . 0 0 "[ . 1 . 2]" 2
341 1 35 VAL HB 1 36 SER H 1.800 . 4.200 3.867 3.731 4.012 . 0 0 "[ . 1 . 2]" 2
342 1 35 VAL MG1 1 36 SER H 1.800 . 3.200 2.526 2.222 2.856 . 0 0 "[ . 1 . 2]" 2
343 1 35 VAL MG1 1 36 SER HA 1.800 . 4.200 3.826 3.748 3.940 . 0 0 "[ . 1 . 2]" 2
344 1 35 VAL MG1 1 40 PHE QD 1.800 . 4.200 2.173 1.851 2.485 . 0 0 "[ . 1 . 2]" 2
345 1 35 VAL MG1 1 40 PHE QE 1.800 . 5.000 3.335 2.830 3.739 . 0 0 "[ . 1 . 2]" 2
346 1 35 VAL MG1 1 46 LEU MD1 1.800 . 4.200 1.937 1.859 2.278 . 0 0 "[ . 1 . 2]" 2
347 1 35 VAL MG1 1 46 LEU MD2 1.800 . 3.600 1.923 1.776 2.349 0.024 3 0 "[ . 1 . 2]" 2
348 1 35 VAL MG1 1 79 MET HA 1.800 . 5.000 3.936 3.612 4.236 . 0 0 "[ . 1 . 2]" 2
349 1 35 VAL MG1 1 79 MET QG 1.800 . 4.200 2.024 1.835 2.302 . 0 0 "[ . 1 . 2]" 2
350 1 35 VAL MG1 1 79 MET ME 1.800 . 3.600 2.125 1.801 2.676 . 0 0 "[ . 1 . 2]" 2
351 1 35 VAL MG2 1 36 SER H 1.800 . 4.200 4.225 4.198 4.257 0.057 18 0 "[ . 1 . 2]" 2
352 1 35 VAL MG2 1 40 PHE QD 1.800 . 4.200 3.855 3.411 4.196 . 0 0 "[ . 1 . 2]" 2
353 1 35 VAL MG2 1 40 PHE QE 1.800 . 4.200 3.450 3.029 3.962 . 0 0 "[ . 1 . 2]" 2
354 1 35 VAL MG2 1 46 LEU MD1 1.800 . 4.200 2.414 2.080 2.823 . 0 0 "[ . 1 . 2]" 2
355 1 36 SER H 1 39 ARG QB 1.800 . 4.200 2.833 2.314 3.313 . 0 0 "[ . 1 . 2]" 2
356 1 36 SER H 1 39 ARG QG 1.800 . 5.000 4.659 4.235 5.004 0.004 20 0 "[ . 1 . 2]" 2
357 1 36 SER H 1 39 ARG QD 1.800 . 5.000 4.241 3.422 4.829 . 0 0 "[ . 1 . 2]" 2
358 1 36 SER H 1 40 PHE H 1.800 . 3.600 3.211 3.046 3.530 . 0 0 "[ . 1 . 2]" 2
359 1 36 SER H 1 79 MET ME 1.800 . 4.200 3.966 3.420 4.224 0.024 5 0 "[ . 1 . 2]" 2
360 1 36 SER QB 1 38 ASP H 1.800 . 3.600 2.524 2.085 3.186 . 0 0 "[ . 1 . 2]" 2
361 1 36 SER QB 1 39 ARG QB 1.800 . 5.000 3.533 2.744 4.408 . 0 0 "[ . 1 . 2]" 2
362 1 37 SER HA 1 39 ARG H 1.800 . 5.000 4.151 4.057 4.360 . 0 0 "[ . 1 . 2]" 2
363 1 37 SER HA 1 40 PHE H 1.800 . 4.200 3.695 3.498 3.823 . 0 0 "[ . 1 . 2]" 2
364 1 38 ASP H 1 38 ASP HB2 1.800 . 3.600 2.081 2.076 2.088 . 0 0 "[ . 1 . 2]" 2
365 1 38 ASP H 1 38 ASP HB3 1.800 . 3.200 3.309 3.307 3.310 0.110 3 0 "[ . 1 . 2]" 2
366 1 38 ASP H 1 39 ARG H 1.800 . 3.200 2.374 2.356 2.407 . 0 0 "[ . 1 . 2]" 2
367 1 38 ASP H 1 40 PHE H 1.800 . 4.200 4.019 3.744 4.212 0.012 5 0 "[ . 1 . 2]" 2
368 1 38 ASP HA 1 40 PHE H 1.800 . 5.000 4.911 4.729 5.002 0.002 2 0 "[ . 1 . 2]" 2
369 1 38 ASP HB2 1 39 ARG H 1.800 . 4.200 3.240 3.032 3.370 . 0 0 "[ . 1 . 2]" 2
370 1 38 ASP HB3 1 39 ARG H 1.800 . 3.600 3.364 3.111 3.512 . 0 0 "[ . 1 . 2]" 2
371 1 39 ARG H 1 39 ARG QB 1.800 . 3.200 2.275 2.159 2.447 . 0 0 "[ . 1 . 2]" 2
372 1 39 ARG H 1 39 ARG QG 1.800 . 4.200 3.485 2.496 4.039 . 0 0 "[ . 1 . 2]" 2
373 1 39 ARG H 1 40 PHE H 1.800 . 3.200 2.325 2.258 2.397 . 0 0 "[ . 1 . 2]" 2
374 1 39 ARG HA 1 39 ARG QG 1.800 . 3.600 2.228 2.002 2.492 . 0 0 "[ . 1 . 2]" 2
375 1 39 ARG HA 1 39 ARG QD 1.800 . 4.200 3.742 2.468 4.078 . 0 0 "[ . 1 . 2]" 2
376 1 39 ARG QB 1 39 ARG QD 1.800 . 3.600 2.085 1.921 2.270 . 0 0 "[ . 1 . 2]" 2
377 1 39 ARG QB 1 40 PHE H 1.800 . 3.600 2.558 2.353 2.717 . 0 0 "[ . 1 . 2]" 2
378 1 39 ARG QG 1 40 PHE H 1.800 . 5.000 4.172 3.727 4.409 . 0 0 "[ . 1 . 2]" 2
379 1 39 ARG QD 1 40 PHE QE 1.800 . 4.200 2.962 2.139 4.109 . 0 0 "[ . 1 . 2]" 2
380 1 40 PHE H 1 40 PHE QB 1.800 . 3.600 2.713 2.607 2.834 . 0 0 "[ . 1 . 2]" 2
381 1 40 PHE H 1 41 ARG H 1.800 . 4.200 4.213 4.197 4.231 0.031 12 0 "[ . 1 . 2]" 2
382 1 40 PHE H 1 45 ALA MB 1.800 . 5.000 5.017 5.007 5.033 0.033 12 0 "[ . 1 . 2]" 2
383 1 40 PHE H 1 79 MET ME 1.800 . 4.200 3.949 3.652 4.229 0.029 5 0 "[ . 1 . 2]" 2
384 1 40 PHE HA 1 41 ARG H 1.800 . 3.200 2.128 2.118 2.136 . 0 0 "[ . 1 . 2]" 2
385 1 40 PHE HA 1 42 SER H 1.800 . 3.600 3.619 3.573 3.641 0.041 8 0 "[ . 1 . 2]" 2
386 1 40 PHE HA 1 45 ALA MB 1.800 . 4.200 2.651 2.537 2.760 . 0 0 "[ . 1 . 2]" 2
387 1 40 PHE QB 1 41 ARG H 1.800 . 5.000 3.321 3.290 3.369 . 0 0 "[ . 1 . 2]" 2
388 1 40 PHE QB 1 46 LEU QB 1.800 . 4.200 2.629 2.409 2.753 . 0 0 "[ . 1 . 2]" 2
389 1 40 PHE QB 1 79 MET ME 1.800 . 4.200 1.872 1.786 2.015 0.014 8 0 "[ . 1 . 2]" 2
390 1 40 PHE QB 1 42 SER H 1.800 . 4.200 2.889 2.727 3.016 . 0 0 "[ . 1 . 2]" 2
391 1 40 PHE QB 1 46 LEU H 1.800 . 4.200 2.870 2.740 3.011 . 0 0 "[ . 1 . 2]" 2
392 1 40 PHE QB 1 46 LEU MD1 1.800 . 5.000 3.201 3.007 3.556 . 0 0 "[ . 1 . 2]" 2
393 1 40 PHE QD 1 41 ARG H 1.800 . 5.000 4.336 3.929 4.560 . 0 0 "[ . 1 . 2]" 2
394 1 40 PHE QE 1 46 LEU HA 1.800 . 4.200 3.051 2.687 3.486 . 0 0 "[ . 1 . 2]" 2
395 1 40 PHE QE 1 46 LEU MD1 1.800 . 4.200 2.515 2.303 2.661 . 0 0 "[ . 1 . 2]" 2
396 1 41 ARG H 1 41 ARG HB2 1.800 . 3.600 2.025 2.017 2.031 . 0 0 "[ . 1 . 2]" 2
397 1 41 ARG H 1 41 ARG HB3 1.800 . 3.200 3.319 3.315 3.323 0.123 7 0 "[ . 1 . 2]" 2
398 1 41 ARG H 1 41 ARG QG 1.800 . 3.200 3.194 3.151 3.239 0.039 3 0 "[ . 1 . 2]" 2
399 1 41 ARG H 1 41 ARG QD 1.800 . 5.000 4.012 3.443 4.593 . 0 0 "[ . 1 . 2]" 2
400 1 41 ARG H 1 42 SER H 1.800 . 3.600 2.592 2.566 2.637 . 0 0 "[ . 1 . 2]" 2
401 1 41 ARG H 1 45 ALA MB 1.800 . 4.200 2.738 2.522 2.914 . 0 0 "[ . 1 . 2]" 2
402 1 41 ARG HA 1 41 ARG QG 1.800 . 3.200 2.247 2.029 2.583 . 0 0 "[ . 1 . 2]" 2
403 1 41 ARG HA 1 41 ARG QD 1.800 . 4.200 3.235 1.976 3.977 . 0 0 "[ . 1 . 2]" 2
404 1 41 ARG HB2 1 42 SER H 1.800 . 5.000 3.284 3.181 3.459 . 0 0 "[ . 1 . 2]" 2
405 1 41 ARG HB3 1 42 SER H 1.800 . 4.200 3.433 3.340 3.594 . 0 0 "[ . 1 . 2]" 2
406 1 41 ARG QG 1 42 SER H 1.800 . 5.000 4.595 4.521 4.759 . 0 0 "[ . 1 . 2]" 2
407 1 41 ARG QD 1 42 SER H 1.800 . 5.000 4.937 4.684 5.040 0.040 17 0 "[ . 1 . 2]" 2
408 1 42 SER H 1 42 SER QB 1.800 . 3.600 3.006 2.839 3.380 . 0 0 "[ . 1 . 2]" 2
409 1 42 SER H 1 43 PHE H 1.800 . 5.000 4.375 4.361 4.388 . 0 0 "[ . 1 . 2]" 2
410 1 42 SER H 1 45 ALA H 1.800 . 4.200 3.391 3.311 3.555 . 0 0 "[ . 1 . 2]" 2
411 1 42 SER H 1 45 ALA MB 1.800 . 3.200 2.235 2.027 2.389 . 0 0 "[ . 1 . 2]" 2
412 1 42 SER H 1 46 LEU H 1.800 . 5.000 3.976 3.729 4.102 . 0 0 "[ . 1 . 2]" 2
413 1 42 SER H 1 79 MET ME 1.800 . 4.200 3.150 2.671 3.648 . 0 0 "[ . 1 . 2]" 2
414 1 42 SER QB 1 43 PHE H 1.800 . 5.000 2.353 2.028 3.109 . 0 0 "[ . 1 . 2]" 2
415 1 42 SER QB 1 44 ASP QB 1.800 . 5.000 3.247 2.750 3.851 . 0 0 "[ . 1 . 2]" 2
416 1 42 SER QB 1 45 ALA MB 1.800 . 5.000 3.617 3.066 4.242 . 0 0 "[ . 1 . 2]" 2
417 1 42 SER QB 1 44 ASP H 1.800 . 4.200 2.632 2.328 3.215 . 0 0 "[ . 1 . 2]" 2
418 1 43 PHE H 1 44 ASP H 1.800 . 5.000 2.679 2.659 2.696 . 0 0 "[ . 1 . 2]" 2
419 1 43 PHE H 1 79 MET ME 1.800 . 5.000 3.515 3.041 3.883 . 0 0 "[ . 1 . 2]" 2
420 1 43 PHE HA 1 43 PHE QD 1.800 . 3.600 2.305 2.051 2.899 . 0 0 "[ . 1 . 2]" 2
421 1 43 PHE HA 1 46 LEU H 1.800 . 3.600 3.297 3.195 3.399 . 0 0 "[ . 1 . 2]" 2
422 1 43 PHE HA 1 46 LEU HB2 1.800 . 4.200 3.250 2.946 3.521 . 0 0 "[ . 1 . 2]" 2
423 1 43 PHE HA 1 46 LEU HB3 1.800 . 5.000 2.655 2.495 2.801 . 0 0 "[ . 1 . 2]" 2
424 1 43 PHE HA 1 46 LEU HG 1.800 . 5.000 4.965 4.821 5.018 0.018 5 0 "[ . 1 . 2]" 2
425 1 43 PHE HA 1 46 LEU MD2 1.800 . 5.000 3.260 3.077 3.520 . 0 0 "[ . 1 . 2]" 2
426 1 43 PHE HA 1 79 MET ME 1.800 . 3.600 2.827 2.181 3.562 . 0 0 "[ . 1 . 2]" 2
427 1 43 PHE HB2 1 44 ASP H 1.800 . 3.600 3.562 3.494 3.720 0.120 6 0 "[ . 1 . 2]" 2
428 1 43 PHE HB2 1 78 SER HA 1.800 . 5.000 3.230 2.861 3.520 . 0 0 "[ . 1 . 2]" 2
429 1 43 PHE HB3 1 44 ASP H 1.800 . 4.200 2.861 2.503 2.964 . 0 0 "[ . 1 . 2]" 2
430 1 43 PHE HB3 1 78 SER HA 1.800 . 5.000 4.816 4.317 5.014 0.014 18 0 "[ . 1 . 2]" 2
431 1 43 PHE QD 1 46 LEU MD2 1.800 . 4.200 3.095 2.825 3.588 . 0 0 "[ . 1 . 2]" 2
432 1 43 PHE QD 1 47 LEU MD1 1.800 . 5.000 2.541 2.178 3.017 . 0 0 "[ . 1 . 2]" 2
433 1 43 PHE QD 1 47 LEU MD2 1.800 . 5.000 4.106 3.875 4.431 . 0 0 "[ . 1 . 2]" 2
434 1 43 PHE QD 1 67 ILE MG 1.800 . 5.000 5.072 5.037 5.095 0.095 17 0 "[ . 1 . 2]" 2
435 1 43 PHE QD 1 67 ILE MD 1.800 . 4.200 3.767 3.213 3.928 . 0 0 "[ . 1 . 2]" 2
436 1 43 PHE QD 1 78 SER HA 1.800 . 4.200 4.170 3.393 4.230 0.030 17 0 "[ . 1 . 2]" 2
437 1 43 PHE QD 1 79 MET H 1.800 . 5.000 3.937 2.665 4.521 . 0 0 "[ . 1 . 2]" 2
438 1 43 PHE QD 1 79 MET QG 1.800 . 5.000 3.724 2.946 4.820 . 0 0 "[ . 1 . 2]" 2
439 1 43 PHE QD 1 79 MET ME 1.800 . 5.000 3.278 2.491 3.628 . 0 0 "[ . 1 . 2]" 2
440 1 43 PHE QE 1 47 LEU MD1 1.800 . 4.200 3.266 1.900 4.040 . 0 0 "[ . 1 . 2]" 2
441 1 43 PHE QE 1 47 LEU MD2 1.800 . 4.200 3.656 3.124 3.981 . 0 0 "[ . 1 . 2]" 2
442 1 43 PHE QE 1 76 ILE MG 1.800 . 5.000 2.766 2.364 3.082 . 0 0 "[ . 1 . 2]" 2
443 1 43 PHE QE 1 79 MET ME 1.800 . 5.000 4.691 3.594 5.046 0.046 5 0 "[ . 1 . 2]" 2
444 1 43 PHE HZ 1 67 ILE HB 1.800 . 4.200 1.993 1.864 3.000 . 0 0 "[ . 1 . 2]" 2
445 1 44 ASP H 1 44 ASP QB 1.800 . 3.200 2.232 2.075 2.581 . 0 0 "[ . 1 . 2]" 2
446 1 44 ASP H 1 45 ALA H 1.800 . 3.600 2.671 2.651 2.682 . 0 0 "[ . 1 . 2]" 2
447 1 44 ASP H 1 45 ALA MB 1.800 . 4.200 4.240 4.232 4.248 0.048 16 0 "[ . 1 . 2]" 2
448 1 44 ASP H 1 47 LEU MD1 1.800 . 5.000 4.286 4.095 4.509 . 0 0 "[ . 1 . 2]" 2
449 1 44 ASP HA 1 47 LEU H 1.800 . 4.200 3.585 3.508 3.640 . 0 0 "[ . 1 . 2]" 2
450 1 44 ASP HA 1 47 LEU QB 1.800 . 3.200 2.534 2.428 2.703 . 0 0 "[ . 1 . 2]" 2
451 1 44 ASP HA 1 47 LEU HG 1.800 . 4.200 4.084 3.730 4.206 0.006 8 0 "[ . 1 . 2]" 2
452 1 44 ASP HA 1 47 LEU MD1 1.800 . 3.200 2.798 2.442 2.974 . 0 0 "[ . 1 . 2]" 2
453 1 44 ASP HA 1 47 LEU MD2 1.800 . 5.000 4.949 4.749 5.014 0.014 18 0 "[ . 1 . 2]" 2
454 1 44 ASP HA 1 48 ALA H 1.800 . 5.000 4.241 4.077 4.406 . 0 0 "[ . 1 . 2]" 2
455 1 44 ASP QB 1 45 ALA H 1.800 . 3.600 2.600 2.490 2.767 . 0 0 "[ . 1 . 2]" 2
456 1 44 ASP QB 1 45 ALA MB 1.800 . 4.200 3.747 3.677 3.863 . 0 0 "[ . 1 . 2]" 2
457 1 44 ASP QB 1 47 LEU MD1 1.800 . 5.000 4.413 4.080 4.609 . 0 0 "[ . 1 . 2]" 2
458 1 45 ALA H 1 45 ALA MB 1.800 . 3.200 2.023 2.018 2.029 . 0 0 "[ . 1 . 2]" 2
459 1 45 ALA H 1 46 LEU H 1.800 . 3.600 2.559 2.519 2.605 . 0 0 "[ . 1 . 2]" 2
460 1 45 ALA H 1 48 ALA MB 1.800 . 5.000 4.585 4.438 4.749 . 0 0 "[ . 1 . 2]" 2
461 1 45 ALA HA 1 48 ALA H 1.800 . 3.600 3.262 3.194 3.314 . 0 0 "[ . 1 . 2]" 2
462 1 45 ALA HA 1 48 ALA MB 1.800 . 3.200 2.518 2.433 2.636 . 0 0 "[ . 1 . 2]" 2
463 1 45 ALA HA 1 49 ASP H 1.800 . 5.000 4.340 4.157 4.450 . 0 0 "[ . 1 . 2]" 2
464 1 45 ALA MB 1 46 LEU HA 1.800 . 5.000 3.725 3.694 3.755 . 0 0 "[ . 1 . 2]" 2
465 1 45 ALA MB 1 48 ALA H 1.800 . 4.200 4.365 4.355 4.386 0.186 12 0 "[ . 1 . 2]" 2
466 1 46 LEU H 1 46 LEU HB2 1.800 . 3.200 2.492 2.446 2.582 . 0 0 "[ . 1 . 2]" 2
467 1 46 LEU H 1 46 LEU HB3 1.800 . 3.600 2.519 2.426 2.571 . 0 0 "[ . 1 . 2]" 2
468 1 46 LEU H 1 46 LEU MD1 1.800 . 4.200 4.037 3.947 4.111 . 0 0 "[ . 1 . 2]" 2
469 1 46 LEU H 1 46 LEU MD2 1.800 . 4.200 4.204 4.180 4.225 0.025 6 0 "[ . 1 . 2]" 2
470 1 46 LEU H 1 47 LEU H 1.800 . 3.600 2.560 2.521 2.581 . 0 0 "[ . 1 . 2]" 2
471 1 46 LEU H 1 47 LEU HG 1.800 . 5.000 4.859 4.566 4.960 . 0 0 "[ . 1 . 2]" 2
472 1 46 LEU HA 1 46 LEU MD1 1.800 . 3.200 2.037 1.904 2.217 . 0 0 "[ . 1 . 2]" 2
473 1 46 LEU HA 1 46 LEU MD2 1.800 . 5.000 3.873 3.816 3.929 . 0 0 "[ . 1 . 2]" 2
474 1 46 LEU HA 1 49 ASP H 1.800 . 4.200 3.438 3.387 3.494 . 0 0 "[ . 1 . 2]" 2
475 1 46 LEU HA 1 49 ASP QB 1.800 . 4.200 2.990 2.809 3.170 . 0 0 "[ . 1 . 2]" 2
476 1 46 LEU HB2 1 47 LEU H 1.800 . 3.600 3.669 3.653 3.695 0.095 5 0 "[ . 1 . 2]" 2
477 1 46 LEU HG 1 47 LEU H 1.800 . 4.200 3.722 3.470 3.885 . 0 0 "[ . 1 . 2]" 2
478 1 46 LEU HG 1 50 LEU MD1 1.800 . 4.200 2.646 2.382 2.812 . 0 0 "[ . 1 . 2]" 2
479 1 46 LEU HG 1 67 ILE MD 1.800 . 3.600 3.178 2.778 3.548 . 0 0 "[ . 1 . 2]" 2
480 1 46 LEU MD1 1 47 LEU H 1.800 . 5.000 4.427 4.246 4.510 . 0 0 "[ . 1 . 2]" 2
481 1 46 LEU MD1 1 47 LEU HA 1.800 . 5.000 4.875 4.535 5.006 0.006 15 0 "[ . 1 . 2]" 2
482 1 46 LEU MD1 1 49 ASP H 1.800 . 5.000 4.511 4.237 4.713 . 0 0 "[ . 1 . 2]" 2
483 1 46 LEU MD1 1 49 ASP QB 1.800 . 4.200 3.245 2.986 3.491 . 0 0 "[ . 1 . 2]" 2
484 1 46 LEU MD1 1 50 LEU H 1.800 . 5.000 4.146 3.733 4.476 . 0 0 "[ . 1 . 2]" 2
485 1 46 LEU MD1 1 50 LEU HG 1.800 . 3.600 3.133 2.721 3.545 . 0 0 "[ . 1 . 2]" 2
486 1 46 LEU MD1 1 50 LEU MD1 1.800 . 4.200 3.465 3.093 3.702 . 0 0 "[ . 1 . 2]" 2
487 1 46 LEU MD1 1 50 LEU MD2 1.800 . 5.000 2.380 1.864 3.046 . 0 0 "[ . 1 . 2]" 2
488 1 46 LEU MD1 1 67 ILE MD 1.800 . 5.000 4.167 3.727 4.460 . 0 0 "[ . 1 . 2]" 2
489 1 46 LEU MD1 1 79 MET ME 1.800 . 4.200 3.148 2.370 3.829 . 0 0 "[ . 1 . 2]" 2
490 1 46 LEU MD2 1 47 LEU H 1.800 . 5.000 4.151 3.891 4.390 . 0 0 "[ . 1 . 2]" 2
491 1 46 LEU MD2 1 50 LEU HG 1.800 . 3.600 3.586 3.478 3.618 0.018 5 0 "[ . 1 . 2]" 2
492 1 46 LEU MD2 1 50 LEU MD1 1.800 . 4.200 2.844 2.700 2.976 . 0 0 "[ . 1 . 2]" 2
493 1 46 LEU MD2 1 79 MET QG 1.800 . 4.200 3.427 3.036 3.832 . 0 0 "[ . 1 . 2]" 2
494 1 46 LEU MD2 1 79 MET ME 1.800 . 3.600 2.745 1.941 3.528 . 0 0 "[ . 1 . 2]" 2
495 1 47 LEU H 1 47 LEU HB2 1.800 . 3.600 2.272 2.244 2.347 . 0 0 "[ . 1 . 2]" 2
496 1 47 LEU H 1 47 LEU HG 1.800 . 3.200 2.641 2.397 2.730 . 0 0 "[ . 1 . 2]" 2
497 1 47 LEU H 1 47 LEU MD1 1.800 . 3.600 3.602 3.477 3.638 0.038 20 0 "[ . 1 . 2]" 2
498 1 47 LEU H 1 47 LEU MD2 1.800 . 4.200 3.728 3.468 3.843 . 0 0 "[ . 1 . 2]" 2
499 1 47 LEU H 1 48 ALA H 1.800 . 4.200 2.658 2.639 2.677 . 0 0 "[ . 1 . 2]" 2
500 1 47 LEU H 1 48 ALA MB 1.800 . 5.000 4.339 4.315 4.364 . 0 0 "[ . 1 . 2]" 2
501 1 47 LEU H 1 50 LEU MD1 1.800 . 5.000 4.709 4.383 4.927 . 0 0 "[ . 1 . 2]" 2
502 1 47 LEU HA 1 47 LEU MD2 1.800 . 3.600 2.019 1.915 2.110 . 0 0 "[ . 1 . 2]" 2
503 1 47 LEU HA 1 50 LEU H 1.800 . 4.200 3.248 3.204 3.283 . 0 0 "[ . 1 . 2]" 2
504 1 47 LEU HA 1 50 LEU HB2 1.800 . 4.200 2.029 1.964 2.123 . 0 0 "[ . 1 . 2]" 2
505 1 47 LEU HA 1 50 LEU MD1 1.800 . 4.200 3.065 2.603 3.376 . 0 0 "[ . 1 . 2]" 2
506 1 47 LEU HA 1 51 THR H 1.800 . 5.000 3.919 3.666 4.095 . 0 0 "[ . 1 . 2]" 2
507 1 47 LEU HA 1 64 VAL MG1 1.800 . 4.200 3.194 2.674 3.411 . 0 0 "[ . 1 . 2]" 2
508 1 47 LEU HA 1 67 ILE MD 1.800 . 5.000 3.703 3.087 3.922 . 0 0 "[ . 1 . 2]" 2
509 1 47 LEU HB2 1 48 ALA H 1.800 . 4.200 2.897 2.785 2.936 . 0 0 "[ . 1 . 2]" 2
510 1 47 LEU HB3 1 47 LEU MD1 1.800 . 3.600 2.363 2.275 2.445 . 0 0 "[ . 1 . 2]" 2
511 1 47 LEU HB3 1 48 ALA H 1.800 . 3.600 3.599 3.539 3.652 0.052 20 0 "[ . 1 . 2]" 2
512 1 47 LEU HG 1 67 ILE MD 1.800 . 5.000 3.130 2.190 3.582 . 0 0 "[ . 1 . 2]" 2
513 1 47 LEU MD1 1 48 ALA H 1.800 . 5.000 4.743 4.691 4.774 . 0 0 "[ . 1 . 2]" 2
514 1 47 LEU MD1 1 65 ARG HA 1.800 . 3.600 3.211 2.831 3.474 . 0 0 "[ . 1 . 2]" 2
515 1 47 LEU MD2 1 50 LEU HB2 1.800 . 5.000 2.993 2.939 3.056 . 0 0 "[ . 1 . 2]" 2
516 1 47 LEU MD2 1 50 LEU HB3 1.800 . 3.600 3.634 3.619 3.646 0.046 10 0 "[ . 1 . 2]" 2
517 1 47 LEU MD2 1 50 LEU HG 1.800 . 3.600 3.543 3.211 3.633 0.033 13 0 "[ . 1 . 2]" 2
518 1 47 LEU MD2 1 50 LEU MD1 1.800 . 4.200 2.515 2.056 2.909 . 0 0 "[ . 1 . 2]" 2
519 1 47 LEU MD2 1 64 VAL HB 1.800 . 5.000 3.056 2.730 3.504 . 0 0 "[ . 1 . 2]" 2
520 1 47 LEU MD2 1 64 VAL MG1 1.800 . 3.200 1.788 1.772 1.804 0.028 11 0 "[ . 1 . 2]" 2
521 1 47 LEU MD2 1 65 ARG H 1.800 . 5.000 3.709 3.512 4.078 . 0 0 "[ . 1 . 2]" 2
522 1 47 LEU MD2 1 65 ARG HA 1.800 . 4.200 3.151 2.898 3.628 . 0 0 "[ . 1 . 2]" 2
523 1 47 LEU MD2 1 67 ILE H 1.800 . 5.000 3.390 2.906 3.780 . 0 0 "[ . 1 . 2]" 2
524 1 47 LEU MD2 1 67 ILE QG 1.800 . 4.200 1.976 1.894 2.786 . 0 0 "[ . 1 . 2]" 2
525 1 48 ALA H 1 48 ALA MB 1.800 . 3.200 2.222 2.217 2.227 . 0 0 "[ . 1 . 2]" 2
526 1 48 ALA H 1 49 ASP H 1.800 . 3.600 2.652 2.628 2.673 . 0 0 "[ . 1 . 2]" 2
527 1 48 ALA HA 1 51 THR H 1.800 . 4.200 3.675 3.621 3.747 . 0 0 "[ . 1 . 2]" 2
528 1 48 ALA HA 1 51 THR MG 1.800 . 4.200 4.225 4.217 4.239 0.039 16 0 "[ . 1 . 2]" 2
529 1 48 ALA HA 1 51 THR HG1 1.800 . 5.000 2.700 2.073 3.525 . 0 0 "[ . 1 . 2]" 2
530 1 48 ALA MB 1 49 ASP H 1.800 . 3.200 2.388 2.369 2.401 . 0 0 "[ . 1 . 2]" 2
531 1 48 ALA MB 1 49 ASP HA 1.800 . 4.200 3.810 3.801 3.818 . 0 0 "[ . 1 . 2]" 2
532 1 48 ALA MB 1 49 ASP QB 1.800 . 5.000 3.732 3.564 3.958 . 0 0 "[ . 1 . 2]" 2
533 1 48 ALA MB 1 50 LEU H 1.800 . 4.200 4.285 4.273 4.293 0.093 5 0 "[ . 1 . 2]" 2
534 1 49 ASP H 1 49 ASP QB 1.800 . 3.200 2.138 2.069 2.262 . 0 0 "[ . 1 . 2]" 2
535 1 49 ASP H 1 50 LEU H 1.800 . 4.200 2.437 2.425 2.455 . 0 0 "[ . 1 . 2]" 2
536 1 49 ASP HA 1 52 ARG H 1.800 . 4.200 3.374 3.318 3.454 . 0 0 "[ . 1 . 2]" 2
537 1 49 ASP HA 1 52 ARG QB 1.800 . 3.600 2.723 2.441 3.060 . 0 0 "[ . 1 . 2]" 2
538 1 49 ASP HA 1 52 ARG QG 1.800 . 5.000 4.135 2.782 5.002 0.002 4 0 "[ . 1 . 2]" 2
539 1 49 ASP HA 1 52 ARG QD 1.800 . 5.000 3.346 2.067 5.001 0.001 17 0 "[ . 1 . 2]" 2
540 1 49 ASP HA 1 53 SER H 1.800 . 5.000 4.242 4.034 4.394 . 0 0 "[ . 1 . 2]" 2
541 1 49 ASP QB 1 50 LEU H 1.800 . 3.200 2.763 2.681 2.814 . 0 0 "[ . 1 . 2]" 2
542 1 49 ASP QB 1 50 LEU MD2 1.800 . 5.000 3.026 2.521 3.562 . 0 0 "[ . 1 . 2]" 2
543 1 50 LEU H 1 50 LEU QB 1.800 . 3.600 2.328 2.274 2.392 . 0 0 "[ . 1 . 2]" 2
544 1 50 LEU H 1 50 LEU HG 1.800 . 3.200 2.801 2.685 2.896 . 0 0 "[ . 1 . 2]" 2
545 1 50 LEU H 1 50 LEU MD1 1.800 . 5.000 4.084 4.015 4.125 . 0 0 "[ . 1 . 2]" 2
546 1 50 LEU H 1 50 LEU MD2 1.800 . 4.200 2.736 2.282 3.212 . 0 0 "[ . 1 . 2]" 2
547 1 50 LEU HA 1 50 LEU MD2 1.800 . 3.200 1.896 1.841 1.985 . 0 0 "[ . 1 . 2]" 2
548 1 50 LEU QB 1 51 THR H 1.800 . 3.600 2.613 2.460 2.727 . 0 0 "[ . 1 . 2]" 2
549 1 50 LEU QB 1 64 VAL MG1 1.800 . 4.200 2.357 2.103 2.568 . 0 0 "[ . 1 . 2]" 2
550 1 50 LEU MD1 1 64 VAL HB 1.800 . 5.000 3.842 3.420 4.229 . 0 0 "[ . 1 . 2]" 2
551 1 50 LEU MD1 1 64 VAL MG1 1.800 . 3.600 2.174 1.902 2.590 . 0 0 "[ . 1 . 2]" 2
552 1 51 THR H 1 51 THR HB 1.800 . 3.200 2.873 2.215 3.210 0.010 10 0 "[ . 1 . 2]" 2
553 1 51 THR H 1 51 THR MG 1.800 . 3.600 3.526 3.386 3.693 0.093 19 0 "[ . 1 . 2]" 2
554 1 51 THR H 1 51 THR HG1 1.800 . 3.200 2.610 2.048 3.007 . 0 0 "[ . 1 . 2]" 2
555 1 51 THR H 1 52 ARG H 1.800 . 3.600 2.631 2.593 2.668 . 0 0 "[ . 1 . 2]" 2
556 1 51 THR H 1 64 VAL HB 1.800 . 4.200 3.300 2.856 3.623 . 0 0 "[ . 1 . 2]" 2
557 1 51 THR HA 1 51 THR MG 1.800 . 3.200 2.267 2.021 2.640 . 0 0 "[ . 1 . 2]" 2
558 1 51 THR HA 1 54 LEU H 1.800 . 5.000 3.844 3.716 4.031 . 0 0 "[ . 1 . 2]" 2
559 1 51 THR HA 1 64 VAL H 1.800 . 3.600 2.741 2.246 3.262 . 0 0 "[ . 1 . 2]" 2
560 1 51 THR HB 1 52 ARG H 1.800 . 3.200 2.757 2.452 2.926 . 0 0 "[ . 1 . 2]" 2
561 1 51 THR MG 1 52 ARG H 1.800 . 4.200 3.855 3.194 4.170 . 0 0 "[ . 1 . 2]" 2
562 1 51 THR MG 1 52 ARG HA 1.800 . 5.000 4.342 3.266 4.909 . 0 0 "[ . 1 . 2]" 2
563 1 51 THR MG 1 63 GLY H 1.800 . 4.200 4.095 3.727 4.233 0.033 13 0 "[ . 1 . 2]" 2
564 1 51 THR MG 1 63 GLY QA 1.800 . 3.600 1.848 1.800 1.935 0.000 5 0 "[ . 1 . 2]" 2
565 1 51 THR MG 1 64 VAL H 1.800 . 3.600 2.120 1.825 2.746 . 0 0 "[ . 1 . 2]" 2
566 1 51 THR HG1 1 52 ARG H 1.800 . 4.200 3.452 3.129 3.685 . 0 0 "[ . 1 . 2]" 2
567 1 51 THR HG1 1 64 VAL HB 1.800 . 5.000 3.092 2.419 3.812 . 0 0 "[ . 1 . 2]" 2
568 1 52 ARG H 1 52 ARG QG 1.800 . 4.200 3.307 2.407 4.030 . 0 0 "[ . 1 . 2]" 2
569 1 52 ARG H 1 52 ARG QD 1.800 . 4.200 3.362 2.323 4.218 0.018 18 0 "[ . 1 . 2]" 2
570 1 52 ARG H 1 53 SER H 1.800 . 3.200 2.693 2.661 2.727 . 0 0 "[ . 1 . 2]" 2
571 1 52 ARG HA 1 52 ARG QG 1.800 . 4.200 2.249 2.006 2.643 . 0 0 "[ . 1 . 2]" 2
572 1 52 ARG HA 1 52 ARG QD 1.800 . 5.000 3.435 2.039 4.083 . 0 0 "[ . 1 . 2]" 2
573 1 52 ARG HA 1 55 SER H 1.800 . 5.000 3.694 3.627 3.789 . 0 0 "[ . 1 . 2]" 2
574 1 52 ARG QB 1 52 ARG QD 1.800 . 3.200 2.071 1.945 2.276 . 0 0 "[ . 1 . 2]" 2
575 1 52 ARG QB 1 53 SER H 1.800 . 3.200 2.588 2.452 2.734 . 0 0 "[ . 1 . 2]" 2
576 1 52 ARG QG 1 53 SER H 1.800 . 5.000 4.294 3.704 4.518 . 0 0 "[ . 1 . 2]" 2
577 1 52 ARG QD 1 53 SER H 1.800 . 5.000 4.492 2.924 5.029 0.029 18 0 "[ . 1 . 2]" 2
578 1 53 SER H 1 53 SER QB 1.800 . 3.600 2.121 2.075 2.186 . 0 0 "[ . 1 . 2]" 2
579 1 53 SER H 1 55 SER H 1.800 . 5.000 3.718 3.686 3.793 . 0 0 "[ . 1 . 2]" 2
580 1 53 SER HA 1 55 SER H 1.800 . 4.200 3.994 3.920 4.102 . 0 0 "[ . 1 . 2]" 2
581 1 53 SER QB 1 54 LEU MD2 1.800 . 4.200 4.118 4.086 4.132 . 0 0 "[ . 1 . 2]" 2
582 1 54 LEU H 1 54 LEU HB2 1.800 . 3.200 2.136 2.121 2.146 . 0 0 "[ . 1 . 2]" 2
583 1 54 LEU H 1 54 LEU MD1 1.800 . 4.200 4.224 4.198 4.255 0.055 5 0 "[ . 1 . 2]" 2
584 1 54 LEU H 1 54 LEU MD2 1.800 . 5.000 3.948 3.908 3.975 . 0 0 "[ . 1 . 2]" 2
585 1 54 LEU H 1 55 SER H 1.800 . 3.600 2.368 2.342 2.392 . 0 0 "[ . 1 . 2]" 2
586 1 54 LEU H 1 60 LEU MD1 1.800 . 5.000 4.972 4.424 5.036 0.036 15 0 "[ . 1 . 2]" 2
587 1 54 LEU HA 1 54 LEU MD1 1.800 . 5.000 3.711 3.694 3.724 . 0 0 "[ . 1 . 2]" 2
588 1 54 LEU HA 1 54 LEU MD2 1.800 . 4.200 1.894 1.869 1.923 . 0 0 "[ . 1 . 2]" 2
589 1 54 LEU HB2 1 60 LEU MD1 1.800 . 4.200 3.667 3.327 3.804 . 0 0 "[ . 1 . 2]" 2
590 1 54 LEU HB3 1 55 SER H 1.800 . 5.000 3.910 3.874 3.936 . 0 0 "[ . 1 . 2]" 2
591 1 55 SER H 1 55 SER QB 1.800 . 3.200 2.678 2.161 2.837 . 0 0 "[ . 1 . 2]" 2
592 1 55 SER HA 1 56 ASP H 1.800 . 3.200 2.132 2.104 2.179 . 0 0 "[ . 1 . 2]" 2
593 1 55 SER HA 1 60 LEU QB 1.800 . 5.000 4.280 3.459 4.709 . 0 0 "[ . 1 . 2]" 2
594 1 55 SER HA 1 60 LEU MD1 1.800 . 5.000 4.005 2.947 4.443 . 0 0 "[ . 1 . 2]" 2
595 1 56 ASP H 1 60 LEU HB2 1.800 . 5.000 3.626 2.426 4.124 . 0 0 "[ . 1 . 2]" 2
596 1 56 ASP H 1 60 LEU HB3 1.800 . 5.000 4.223 3.589 4.997 . 0 0 "[ . 1 . 2]" 2
597 1 56 ASP H 1 60 LEU MD1 1.800 . 4.200 3.980 3.053 4.244 0.044 5 0 "[ . 1 . 2]" 2
598 1 56 ASP HA 1 57 ASN H 1.800 . 3.200 2.808 2.136 3.250 0.050 1 0 "[ . 1 . 2]" 2
599 1 56 ASP HA 1 58 ILE H 1.800 . 5.000 4.477 3.500 4.733 . 0 0 "[ . 1 . 2]" 2
600 1 56 ASP HB2 1 57 ASN H 1.800 . 4.200 3.415 2.227 4.266 0.066 4 0 "[ . 1 . 2]" 2
601 1 56 ASP HB2 1 60 LEU MD1 1.800 . 5.000 3.098 2.613 3.663 . 0 0 "[ . 1 . 2]" 2
602 1 56 ASP HB3 1 57 ASN H 1.800 . 5.000 2.078 1.764 3.935 0.036 6 0 "[ . 1 . 2]" 2
603 1 56 ASP HB3 1 60 LEU H 1.800 . 5.000 3.083 2.022 4.188 . 0 0 "[ . 1 . 2]" 2
604 1 56 ASP HB3 1 60 LEU HB2 1.800 . 4.200 3.516 2.664 4.232 0.032 1 0 "[ . 1 . 2]" 2
605 1 56 ASP HB3 1 60 LEU MD1 1.800 . 5.000 4.265 3.895 5.013 0.013 4 0 "[ . 1 . 2]" 2
606 1 57 ASN H 1 57 ASN QB 1.800 . 3.600 3.076 2.461 3.328 . 0 0 "[ . 1 . 2]" 2
607 1 57 ASN H 1 58 ILE H 1.800 . 4.200 2.025 1.758 3.036 0.042 8 0 "[ . 1 . 2]" 2
608 1 57 ASN QB 1 58 ILE H 1.800 . 4.200 3.652 2.856 4.031 . 0 0 "[ . 1 . 2]" 2
609 1 57 ASN QB 1 58 ILE MD 1.800 . 4.200 3.659 2.259 4.208 0.008 1 0 "[ . 1 . 2]" 2
610 1 57 ASN QB 1 61 PRO HA 1.800 . 5.000 5.015 5.005 5.037 0.037 1 0 "[ . 1 . 2]" 2
611 1 57 ASN QD 1 58 ILE MD 1.800 . 5.000 3.848 2.172 5.002 0.002 4 0 "[ . 1 . 2]" 2
612 1 58 ILE H 1 58 ILE HB 1.800 . 3.200 2.518 2.367 3.221 0.021 19 0 "[ . 1 . 2]" 2
613 1 58 ILE H 1 58 ILE MG 1.800 . 3.600 3.698 3.673 3.737 0.137 18 0 "[ . 1 . 2]" 2
614 1 58 ILE H 1 58 ILE QG 1.800 . 3.600 3.266 1.921 3.606 0.006 14 0 "[ . 1 . 2]" 2
615 1 58 ILE H 1 58 ILE MD 1.800 . 5.000 3.171 2.358 4.045 . 0 0 "[ . 1 . 2]" 2
616 1 58 ILE H 1 59 ASN H 1.800 . 3.200 2.223 1.969 2.619 . 0 0 "[ . 1 . 2]" 2
617 1 58 ILE H 1 60 LEU H 1.800 . 4.200 2.975 2.379 3.615 . 0 0 "[ . 1 . 2]" 2
618 1 58 ILE HA 1 58 ILE MG 1.800 . 3.600 2.509 2.073 2.600 . 0 0 "[ . 1 . 2]" 2
619 1 58 ILE HA 1 58 ILE QG 1.800 . 3.600 2.391 2.111 3.379 . 0 0 "[ . 1 . 2]" 2
620 1 58 ILE HA 1 58 ILE MD 1.800 . 4.200 3.051 1.946 3.807 . 0 0 "[ . 1 . 2]" 2
621 1 58 ILE HB 1 59 ASN H 1.800 . 3.600 2.496 1.984 3.021 . 0 0 "[ . 1 . 2]" 2
622 1 58 ILE HB 1 59 ASN QD 1.800 . 5.000 3.236 2.470 4.131 . 0 0 "[ . 1 . 2]" 2
623 1 58 ILE QG 1 58 ILE MG 1.800 . 3.600 2.123 1.972 2.279 . 0 0 "[ . 1 . 2]" 2
624 1 58 ILE MG 1 59 ASN H 1.800 . 3.600 2.915 2.072 3.623 0.023 19 0 "[ . 1 . 2]" 2
625 1 58 ILE MG 1 59 ASN QD 1.800 . 4.200 2.666 1.912 3.612 . 0 0 "[ . 1 . 2]" 2
626 1 58 ILE QG 1 59 ASN H 1.800 . 5.000 4.165 2.589 4.549 . 0 0 "[ . 1 . 2]" 2
627 1 58 ILE MD 1 59 ASN H 1.800 . 5.000 4.154 3.806 4.656 . 0 0 "[ . 1 . 2]" 2
628 1 58 ILE MD 1 59 ASN QD 1.800 . 5.000 4.504 3.709 5.002 0.002 7 0 "[ . 1 . 2]" 2
629 1 59 ASN H 1 59 ASN HB2 1.800 . 4.200 2.408 2.213 2.793 . 0 0 "[ . 1 . 2]" 2
630 1 59 ASN H 1 59 ASN HB3 1.800 . 3.600 3.580 3.416 3.651 0.051 14 0 "[ . 1 . 2]" 2
631 1 59 ASN H 1 60 LEU H 1.800 . 3.600 2.197 2.127 2.269 . 0 0 "[ . 1 . 2]" 2
632 1 60 LEU H 1 60 LEU MD1 1.800 . 4.200 3.889 3.323 4.199 . 0 0 "[ . 1 . 2]" 2
633 1 60 LEU H 1 61 PRO HD2 1.800 . 5.000 4.648 4.277 4.973 . 0 0 "[ . 1 . 2]" 2
634 1 60 LEU H 1 61 PRO HD3 1.800 . 4.200 3.811 3.273 4.218 0.018 3 0 "[ . 1 . 2]" 2
635 1 60 LEU HA 1 60 LEU MD2 1.800 . 5.000 2.319 1.911 2.690 . 0 0 "[ . 1 . 2]" 2
636 1 60 LEU QB 1 64 VAL MG2 1.800 . 4.200 3.482 3.043 3.953 . 0 0 "[ . 1 . 2]" 2
637 1 60 LEU QB 1 60 LEU MD1 1.800 . 3.600 2.066 2.009 2.103 . 0 0 "[ . 1 . 2]" 2
638 1 60 LEU QB 1 60 LEU MD2 1.800 . 3.600 2.161 1.973 2.338 . 0 0 "[ . 1 . 2]" 2
639 1 60 LEU HG 1 64 VAL HA 1.800 . 5.000 5.024 4.937 5.074 0.074 11 0 "[ . 1 . 2]" 2
640 1 60 LEU MD1 1 63 GLY H 1.800 . 5.000 4.615 4.115 4.906 . 0 0 "[ . 1 . 2]" 2
641 1 60 LEU MD2 1 61 PRO HD2 1.800 . 5.000 3.292 2.731 3.839 . 0 0 "[ . 1 . 2]" 2
642 1 60 LEU MD2 1 64 VAL HA 1.800 . 4.200 2.168 1.985 2.377 . 0 0 "[ . 1 . 2]" 2
643 1 61 PRO HA 1 63 GLY H 1.800 . 5.000 4.564 4.139 5.009 0.009 10 0 "[ . 1 . 2]" 2
644 1 61 PRO HB2 1 62 GLN H 1.800 . 3.600 1.789 1.773 1.800 0.027 19 0 "[ . 1 . 2]" 2
645 1 61 PRO QG 1 62 GLN H 1.800 . 3.600 3.588 3.555 3.607 0.007 8 0 "[ . 1 . 2]" 2
646 1 61 PRO QG 1 62 GLN QE 1.800 . 5.000 4.666 3.401 5.004 0.004 20 0 "[ . 1 . 2]" 2
647 1 61 PRO HD2 1 62 GLN H 1.800 . 4.200 3.398 3.236 3.540 . 0 0 "[ . 1 . 2]" 2
648 1 61 PRO HD2 1 63 GLY H 1.800 . 5.000 4.379 3.961 5.016 0.016 1 0 "[ . 1 . 2]" 2
649 1 61 PRO HD3 1 62 GLN H 1.800 . 5.000 4.547 4.472 4.599 . 0 0 "[ . 1 . 2]" 2
650 1 62 GLN H 1 62 GLN QB 1.800 . 3.600 2.510 2.252 2.939 . 0 0 "[ . 1 . 2]" 2
651 1 62 GLN H 1 62 GLN QG 1.800 . 4.200 2.587 1.955 3.251 . 0 0 "[ . 1 . 2]" 2
652 1 62 GLN H 1 63 GLY H 1.800 . 3.200 2.584 2.135 3.208 0.008 19 0 "[ . 1 . 2]" 2
653 1 62 GLN H 1 92 SER QB 1.800 . 3.600 3.416 2.701 3.612 0.012 16 0 "[ . 1 . 2]" 2
654 1 62 GLN QB 1 92 SER QB 1.800 . 4.200 3.830 3.133 4.204 0.004 20 0 "[ . 1 . 2]" 2
655 1 62 GLN QB 1 63 GLY H 1.800 . 5.000 3.383 2.731 3.987 . 0 0 "[ . 1 . 2]" 2
656 1 62 GLN QB 1 65 ARG QD 1.800 . 5.000 4.819 4.460 5.029 0.029 17 0 "[ . 1 . 2]" 2
657 1 62 GLN HE22 1 65 ARG QD 1.800 . 5.000 4.793 3.754 5.013 0.013 16 0 "[ . 1 . 2]" 2
658 1 63 GLY QA 1 64 VAL H 1.800 . 3.200 2.291 2.223 2.411 . 0 0 "[ . 1 . 2]" 2
659 1 63 GLY QA 1 64 VAL MG2 1.800 . 5.000 3.202 2.978 3.465 . 0 0 "[ . 1 . 2]" 2
660 1 64 VAL H 1 64 VAL HB 1.800 . 3.200 2.840 2.587 3.138 . 0 0 "[ . 1 . 2]" 2
661 1 64 VAL H 1 64 VAL MG1 1.800 . 4.200 3.874 3.766 4.024 . 0 0 "[ . 1 . 2]" 2
662 1 64 VAL H 1 64 VAL MG2 1.800 . 3.600 2.546 1.950 3.292 . 0 0 "[ . 1 . 2]" 2
663 1 64 VAL HA 1 64 VAL MG1 1.800 . 3.600 2.378 2.294 2.418 . 0 0 "[ . 1 . 2]" 2
664 1 64 VAL HA 1 65 ARG QB 1.800 . 5.000 4.120 4.071 4.185 . 0 0 "[ . 1 . 2]" 2
665 1 64 VAL HA 1 91 SER H 1.800 . 5.000 4.289 3.983 4.628 . 0 0 "[ . 1 . 2]" 2
666 1 64 VAL MG1 1 65 ARG HA 1.800 . 5.000 3.914 3.706 4.184 . 0 0 "[ . 1 . 2]" 2
667 1 64 VAL MG1 1 67 ILE H 1.800 . 5.000 4.777 4.599 5.001 0.001 13 0 "[ . 1 . 2]" 2
668 1 64 VAL MG1 1 67 ILE QG 1.800 . 4.200 2.809 2.688 2.970 . 0 0 "[ . 1 . 2]" 2
669 1 64 VAL MG1 1 90 CYS QB 1.800 . 3.600 2.039 1.894 2.607 . 0 0 "[ . 1 . 2]" 2
670 1 64 VAL MG1 1 91 SER H 1.800 . 3.600 3.285 2.942 3.608 0.008 11 0 "[ . 1 . 2]" 2
671 1 64 VAL MG2 1 90 CYS H 1.800 . 5.000 5.019 4.971 5.066 0.066 5 0 "[ . 1 . 2]" 2
672 1 64 VAL MG2 1 90 CYS QB 1.800 . 3.600 2.184 1.973 2.385 . 0 0 "[ . 1 . 2]" 2
673 1 65 ARG H 1 65 ARG HB2 1.800 . 4.200 2.260 2.220 2.355 . 0 0 "[ . 1 . 2]" 2
674 1 65 ARG H 1 65 ARG HB3 1.800 . 4.200 3.363 3.339 3.401 . 0 0 "[ . 1 . 2]" 2
675 1 65 ARG H 1 65 ARG QG 1.800 . 4.200 3.539 3.497 3.636 . 0 0 "[ . 1 . 2]" 2
676 1 65 ARG H 1 65 ARG QD 1.800 . 5.000 4.926 4.566 5.060 0.060 5 0 "[ . 1 . 2]" 2
677 1 65 ARG HA 1 65 ARG QG 1.800 . 3.600 2.288 2.184 2.528 . 0 0 "[ . 1 . 2]" 2
678 1 65 ARG HA 1 65 ARG QD 1.800 . 4.200 2.971 2.110 3.299 . 0 0 "[ . 1 . 2]" 2
679 1 65 ARG HA 1 65 ARG HE 1.800 . 5.000 2.551 2.496 2.636 . 0 0 "[ . 1 . 2]" 2
680 1 65 ARG HB2 1 66 TYR H 1.800 . 4.200 3.188 3.092 3.263 . 0 0 "[ . 1 . 2]" 2
681 1 65 ARG HB2 1 66 TYR QD 1.800 . 3.600 3.180 3.018 3.404 . 0 0 "[ . 1 . 2]" 2
682 1 65 ARG HB2 1 66 TYR QE 1.800 . 5.000 3.499 3.176 4.475 . 0 0 "[ . 1 . 2]" 2
683 1 65 ARG HB3 1 65 ARG QD 1.800 . 3.600 2.738 2.600 3.089 . 0 0 "[ . 1 . 2]" 2
684 1 65 ARG HB3 1 65 ARG HE 1.800 . 5.000 1.946 1.876 1.983 . 0 0 "[ . 1 . 2]" 2
685 1 65 ARG HB3 1 66 TYR QD 1.800 . 4.200 2.602 1.934 2.859 . 0 0 "[ . 1 . 2]" 2
686 1 65 ARG HB3 1 66 TYR QE 1.800 . 5.000 2.594 2.455 2.906 . 0 0 "[ . 1 . 2]" 2
687 1 65 ARG QG 1 66 TYR H 1.800 . 5.000 4.565 4.497 4.620 . 0 0 "[ . 1 . 2]" 2
688 1 65 ARG QD 1 66 TYR QE 1.800 . 5.000 3.587 2.671 4.513 . 0 0 "[ . 1 . 2]" 2
689 1 65 ARG HE 1 66 TYR HB3 1.800 . 5.000 5.122 5.097 5.171 0.171 20 0 "[ . 1 . 2]" 2
690 1 66 TYR H 1 66 TYR QD 1.800 . 3.600 2.871 2.622 3.265 . 0 0 "[ . 1 . 2]" 2
691 1 66 TYR H 1 91 SER H 1.800 . 3.600 3.028 2.885 3.275 . 0 0 "[ . 1 . 2]" 2
692 1 66 TYR HA 1 67 ILE H 1.800 . 3.200 2.328 2.219 2.354 . 0 0 "[ . 1 . 2]" 2
693 1 66 TYR HB2 1 67 ILE H 1.800 . 4.200 3.450 3.284 3.999 . 0 0 "[ . 1 . 2]" 2
694 1 66 TYR HB2 1 75 LYS HB2 1.800 . 4.200 3.961 3.838 4.231 0.031 10 0 "[ . 1 . 2]" 2
695 1 66 TYR HB2 1 75 LYS HB3 1.800 . 5.000 5.019 4.804 5.079 0.079 14 0 "[ . 1 . 2]" 2
696 1 66 TYR HB2 1 75 LYS QG 1.800 . 4.200 3.900 3.022 4.244 0.044 20 0 "[ . 1 . 2]" 2
697 1 66 TYR HB2 1 91 SER HB2 1.800 . 5.000 2.679 2.490 3.155 . 0 0 "[ . 1 . 2]" 2
698 1 66 TYR HB3 1 67 ILE H 1.800 . 5.000 2.534 2.456 2.865 . 0 0 "[ . 1 . 2]" 2
699 1 66 TYR HB3 1 75 LYS QD 1.800 . 5.000 2.081 1.926 3.526 . 0 0 "[ . 1 . 2]" 2
700 1 66 TYR HB3 1 91 SER H 1.800 . 5.000 4.953 4.793 5.037 0.037 18 0 "[ . 1 . 2]" 2
701 1 66 TYR HB3 1 91 SER HB2 1.800 . 4.200 4.224 4.166 4.251 0.051 13 0 "[ . 1 . 2]" 2
702 1 66 TYR QD 1 67 ILE H 1.800 . 4.200 4.085 3.713 4.210 0.010 3 0 "[ . 1 . 2]" 2
703 1 66 TYR QD 1 75 LYS QD 1.800 . 3.600 2.123 1.828 2.372 . 0 0 "[ . 1 . 2]" 2
704 1 66 TYR QD 1 75 LYS QE 1.800 . 5.000 3.548 2.535 4.191 . 0 0 "[ . 1 . 2]" 2
705 1 66 TYR QE 1 75 LYS QD 1.800 . 3.600 3.651 3.616 3.678 0.078 14 0 "[ . 1 . 2]" 2
706 1 67 ILE H 1 67 ILE HB 1.800 . 3.600 2.654 2.475 2.716 . 0 0 "[ . 1 . 2]" 2
707 1 67 ILE H 1 67 ILE QG 1.800 . 4.200 2.761 2.407 3.386 . 0 0 "[ . 1 . 2]" 2
708 1 67 ILE H 1 67 ILE MD 1.800 . 5.000 4.110 2.495 4.268 . 0 0 "[ . 1 . 2]" 2
709 1 67 ILE H 1 68 TYR H 1.800 . 5.000 4.290 4.245 4.395 . 0 0 "[ . 1 . 2]" 2
710 1 67 ILE H 1 75 LYS QD 1.800 . 5.000 3.726 3.493 4.100 . 0 0 "[ . 1 . 2]" 2
711 1 67 ILE H 1 76 ILE H 1.800 . 5.000 3.933 3.644 4.267 . 0 0 "[ . 1 . 2]" 2
712 1 67 ILE HA 1 68 TYR H 1.800 . 3.200 2.145 2.124 2.166 . 0 0 "[ . 1 . 2]" 2
713 1 67 ILE HB 1 67 ILE MD 1.800 . 3.600 2.521 2.197 2.597 . 0 0 "[ . 1 . 2]" 2
714 1 67 ILE HB 1 76 ILE H 1.800 . 5.000 3.483 3.338 3.742 . 0 0 "[ . 1 . 2]" 2
715 1 67 ILE MD 1 67 ILE MG 1.800 . 3.200 2.038 1.955 3.026 . 0 0 "[ . 1 . 2]" 2
716 1 67 ILE MG 1 68 TYR H 1.800 . 3.600 2.693 2.409 2.786 . 0 0 "[ . 1 . 2]" 2
717 1 67 ILE MG 1 76 ILE H 1.800 . 5.000 3.727 3.454 3.849 . 0 0 "[ . 1 . 2]" 2
718 1 67 ILE MG 1 76 ILE HB 1.800 . 4.200 3.260 2.755 3.425 . 0 0 "[ . 1 . 2]" 2
719 1 67 ILE MG 1 88 TYR QB 1.800 . 3.600 1.864 1.820 1.971 . 0 0 "[ . 1 . 2]" 2
720 1 67 ILE MG 1 89 VAL H 1.800 . 4.200 2.950 2.739 3.141 . 0 0 "[ . 1 . 2]" 2
721 1 67 ILE MG 1 90 CYS HG 1.800 . 5.000 4.150 3.681 4.979 . 0 0 "[ . 1 . 2]" 2
722 1 67 ILE MG 1 91 SER H 1.800 . 5.000 5.016 4.957 5.044 0.044 18 0 "[ . 1 . 2]" 2
723 1 67 ILE MD 1 68 TYR H 1.800 . 5.000 5.042 5.021 5.060 0.060 7 0 "[ . 1 . 2]" 2
724 1 67 ILE MD 1 76 ILE MG 1.800 . 5.000 4.315 4.112 4.595 . 0 0 "[ . 1 . 2]" 2
725 1 67 ILE MD 1 90 CYS HG 1.800 . 5.000 4.112 3.537 4.870 . 0 0 "[ . 1 . 2]" 2
726 1 68 TYR H 1 68 TYR HB2 1.800 . 3.600 2.270 2.252 2.292 . 0 0 "[ . 1 . 2]" 2
727 1 68 TYR H 1 68 TYR QD 1.800 . 4.200 3.618 3.565 3.676 . 0 0 "[ . 1 . 2]" 2
728 1 68 TYR H 1 69 THR H 1.800 . 5.000 4.520 4.509 4.530 . 0 0 "[ . 1 . 2]" 2
729 1 68 TYR H 1 89 VAL HB 1.800 . 5.000 3.536 3.336 3.750 . 0 0 "[ . 1 . 2]" 2
730 1 68 TYR H 1 90 CYS HA 1.800 . 4.200 3.664 3.514 3.795 . 0 0 "[ . 1 . 2]" 2
731 1 68 TYR HA 1 68 TYR QE 1.800 . 5.000 4.276 4.231 4.305 . 0 0 "[ . 1 . 2]" 2
732 1 68 TYR HA 1 69 THR H 1.800 . 3.200 2.365 2.324 2.400 . 0 0 "[ . 1 . 2]" 2
733 1 68 TYR HA 1 69 THR MG 1.800 . 5.000 4.200 3.908 4.576 . 0 0 "[ . 1 . 2]" 2
734 1 68 TYR HA 1 75 LYS QG 1.800 . 5.000 4.148 3.600 4.691 . 0 0 "[ . 1 . 2]" 2
735 1 68 TYR HA 1 76 ILE H 1.800 . 4.200 3.008 2.798 3.180 . 0 0 "[ . 1 . 2]" 2
736 1 68 TYR HB2 1 69 THR H 1.800 . 4.200 3.949 3.896 4.019 . 0 0 "[ . 1 . 2]" 2
737 1 68 TYR HB2 1 89 VAL H 1.800 . 4.200 4.211 4.136 4.243 0.043 2 0 "[ . 1 . 2]" 2
738 1 68 TYR HB2 1 89 VAL HB 1.800 . 4.200 3.223 2.974 3.399 . 0 0 "[ . 1 . 2]" 2
739 1 68 TYR HB3 1 69 THR H 1.800 . 3.600 2.620 2.537 2.731 . 0 0 "[ . 1 . 2]" 2
740 1 68 TYR HB3 1 72 GLY H 1.800 . 5.000 3.823 3.564 4.114 . 0 0 "[ . 1 . 2]" 2
741 1 68 TYR HB3 1 72 GLY QA 1.800 . 5.000 2.261 1.950 2.669 . 0 0 "[ . 1 . 2]" 2
742 1 68 TYR HB3 1 89 VAL HB 1.800 . 5.000 3.207 3.014 3.457 . 0 0 "[ . 1 . 2]" 2
743 1 68 TYR QD 1 69 THR H 1.800 . 5.000 2.147 2.077 2.194 . 0 0 "[ . 1 . 2]" 2
744 1 68 TYR QD 1 69 THR MG 1.800 . 5.000 4.267 3.956 4.618 . 0 0 "[ . 1 . 2]" 2
745 1 68 TYR QD 1 72 GLY QA 1.800 . 5.000 2.377 2.139 2.579 . 0 0 "[ . 1 . 2]" 2
746 1 68 TYR QD 1 74 ARG H 1.800 . 5.000 2.900 2.649 3.136 . 0 0 "[ . 1 . 2]" 2
747 1 68 TYR QD 1 75 LYS QG 1.800 . 5.000 4.455 3.822 4.749 . 0 0 "[ . 1 . 2]" 2
748 1 68 TYR QD 1 75 LYS QE 1.800 . 4.200 4.136 3.853 4.230 0.030 10 0 "[ . 1 . 2]" 2
749 1 68 TYR QD 1 76 ILE H 1.800 . 5.000 4.925 4.761 5.020 0.020 17 0 "[ . 1 . 2]" 2
750 1 68 TYR QD 1 91 SER HB2 1.800 . 5.000 2.433 2.054 2.737 . 0 0 "[ . 1 . 2]" 2
751 1 68 TYR QD 1 91 SER HB3 1.800 . 5.000 3.419 2.987 3.792 . 0 0 "[ . 1 . 2]" 2
752 1 68 TYR QE 1 69 THR H 1.800 . 4.200 4.321 4.308 4.340 0.140 15 0 "[ . 1 . 2]" 2
753 1 68 TYR QE 1 74 ARG H 1.800 . 5.000 3.338 3.177 3.515 . 0 0 "[ . 1 . 2]" 2
754 1 68 TYR QE 1 75 LYS QG 1.800 . 5.000 4.338 3.637 4.647 . 0 0 "[ . 1 . 2]" 2
755 1 68 TYR QE 1 75 LYS QE 1.800 . 5.000 2.878 2.564 4.582 . 0 0 "[ . 1 . 2]" 2
756 1 68 TYR QE 1 91 SER HB2 1.800 . 4.200 3.659 3.324 3.969 . 0 0 "[ . 1 . 2]" 2
757 1 68 TYR QE 1 91 SER HB3 1.800 . 5.000 4.102 3.526 4.503 . 0 0 "[ . 1 . 2]" 2
758 1 69 THR H 1 69 THR MG 1.800 . 3.200 2.876 2.598 3.202 0.002 14 0 "[ . 1 . 2]" 2
759 1 69 THR H 1 69 THR HG1 1.800 . 4.200 2.343 1.945 2.688 . 0 0 "[ . 1 . 2]" 2
760 1 69 THR H 1 70 ILE H 1.800 . 5.000 4.632 4.623 4.642 . 0 0 "[ . 1 . 2]" 2
761 1 69 THR H 1 74 ARG H 1.800 . 4.200 3.268 3.041 3.476 . 0 0 "[ . 1 . 2]" 2
762 1 69 THR H 1 76 ILE MD 1.800 . 5.000 4.969 4.777 5.029 0.029 20 0 "[ . 1 . 2]" 2
763 1 69 THR HA 1 69 THR MG 1.800 . 3.200 2.185 2.045 2.343 . 0 0 "[ . 1 . 2]" 2
764 1 69 THR HA 1 70 ILE H 1.800 . 3.600 2.322 2.270 2.362 . 0 0 "[ . 1 . 2]" 2
765 1 69 THR HA 1 70 ILE MG 1.800 . 4.200 4.211 4.160 4.228 0.028 19 0 "[ . 1 . 2]" 2
766 1 69 THR HA 1 88 TYR QE 1.800 . 4.200 2.922 2.665 3.130 . 0 0 "[ . 1 . 2]" 2
767 1 69 THR MG 1 70 ILE H 1.800 . 4.200 3.331 3.042 3.550 . 0 0 "[ . 1 . 2]" 2
768 1 69 THR MG 1 70 ILE MG 1.800 . 4.200 3.954 3.543 4.202 0.002 7 0 "[ . 1 . 2]" 2
769 1 69 THR MG 1 71 ASP H 1.800 . 5.000 4.053 3.814 4.190 . 0 0 "[ . 1 . 2]" 2
770 1 69 THR MG 1 72 GLY H 1.800 . 5.000 4.211 4.134 4.312 . 0 0 "[ . 1 . 2]" 2
771 1 69 THR MG 1 74 ARG H 1.800 . 3.600 3.203 2.889 3.507 . 0 0 "[ . 1 . 2]" 2
772 1 69 THR MG 1 74 ARG QD 1.800 . 3.600 2.859 1.793 3.621 0.021 19 0 "[ . 1 . 2]" 2
773 1 69 THR MG 1 74 ARG HE 1.800 . 3.600 2.959 2.161 3.605 0.005 2 0 "[ . 1 . 2]" 2
774 1 69 THR MG 1 76 ILE QG 1.800 . 4.200 3.049 2.727 3.452 . 0 0 "[ . 1 . 2]" 2
775 1 69 THR MG 1 76 ILE MD 1.800 . 3.200 2.704 2.441 2.964 . 0 0 "[ . 1 . 2]" 2
776 1 69 THR MG 1 88 TYR QE 1.800 . 3.600 2.722 2.504 3.000 . 0 0 "[ . 1 . 2]" 2
777 1 69 THR HG1 1 71 ASP H 1.800 . 4.200 3.284 2.945 3.675 . 0 0 "[ . 1 . 2]" 2
778 1 69 THR HG1 1 72 GLY H 1.800 . 5.000 2.523 1.973 3.614 . 0 0 "[ . 1 . 2]" 2
779 1 69 THR HG1 1 73 SER H 1.800 . 3.600 2.190 1.966 3.377 . 0 0 "[ . 1 . 2]" 2
780 1 69 THR HG1 1 74 ARG H 1.800 . 4.200 2.176 1.971 2.353 . 0 0 "[ . 1 . 2]" 2
781 1 70 ILE H 1 70 ILE HB 1.800 . 3.600 2.391 2.358 2.419 . 0 0 "[ . 1 . 2]" 2
782 1 70 ILE H 1 70 ILE MG 1.800 . 3.600 2.336 2.296 2.402 . 0 0 "[ . 1 . 2]" 2
783 1 70 ILE H 1 70 ILE MD 1.800 . 5.000 3.832 3.773 3.891 . 0 0 "[ . 1 . 2]" 2
784 1 70 ILE H 1 71 ASP H 1.800 . 3.600 2.855 2.830 2.873 . 0 0 "[ . 1 . 2]" 2
785 1 70 ILE H 1 72 GLY H 1.800 . 4.200 4.087 4.014 4.174 . 0 0 "[ . 1 . 2]" 2
786 1 70 ILE HA 1 70 ILE QG 1.800 . 4.200 2.782 2.618 2.882 . 0 0 "[ . 1 . 2]" 2
787 1 70 ILE HA 1 70 ILE MD 1.800 . 3.200 2.106 1.964 2.341 . 0 0 "[ . 1 . 2]" 2
788 1 70 ILE HA 1 72 GLY H 1.800 . 5.000 4.357 4.175 4.468 . 0 0 "[ . 1 . 2]" 2
789 1 70 ILE HB 1 70 ILE MD 1.800 . 3.600 2.301 2.183 2.392 . 0 0 "[ . 1 . 2]" 2
790 1 70 ILE HB 1 71 ASP H 1.800 . 5.000 4.024 4.002 4.050 . 0 0 "[ . 1 . 2]" 2
791 1 70 ILE HB 1 87 SER QB 1.800 . 5.000 2.778 2.183 3.148 . 0 0 "[ . 1 . 2]" 2
792 1 70 ILE HB 1 102 THR MG 1.800 . 4.200 4.101 3.791 4.232 0.032 1 0 "[ . 1 . 2]" 2
793 1 70 ILE QG 1 70 ILE MG 1.800 . 3.600 2.121 2.094 2.128 . 0 0 "[ . 1 . 2]" 2
794 1 70 ILE MD 1 70 ILE MG 1.800 . 3.600 3.244 3.195 3.258 . 0 0 "[ . 1 . 2]" 2
795 1 70 ILE MG 1 71 ASP H 1.800 . 3.200 2.309 2.219 2.386 . 0 0 "[ . 1 . 2]" 2
796 1 70 ILE MG 1 71 ASP HA 1.800 . 5.000 3.424 3.338 3.511 . 0 0 "[ . 1 . 2]" 2
797 1 70 ILE MG 1 71 ASP QB 1.800 . 5.000 2.914 2.706 3.334 . 0 0 "[ . 1 . 2]" 2
798 1 70 ILE MG 1 72 GLY H 1.800 . 5.000 4.143 4.072 4.225 . 0 0 "[ . 1 . 2]" 2
799 1 70 ILE MG 1 87 SER H 1.800 . 5.000 4.782 4.448 5.006 0.006 13 0 "[ . 1 . 2]" 2
800 1 70 ILE MG 1 87 SER QB 1.800 . 5.000 3.829 3.489 4.239 . 0 0 "[ . 1 . 2]" 2
801 1 70 ILE MG 1 101 TYR QD 1.800 . 5.000 4.912 4.388 5.021 0.021 18 0 "[ . 1 . 2]" 2
802 1 70 ILE MD 1 87 SER H 1.800 . 5.000 4.292 3.922 4.619 . 0 0 "[ . 1 . 2]" 2
803 1 70 ILE MD 1 87 SER HA 1.800 . 4.200 3.987 3.871 4.182 . 0 0 "[ . 1 . 2]" 2
804 1 70 ILE MD 1 87 SER QB 1.800 . 4.200 1.876 1.796 2.047 0.004 13 0 "[ . 1 . 2]" 2
805 1 70 ILE MD 1 101 TYR H 1.800 . 5.000 4.255 3.578 5.016 0.016 14 0 "[ . 1 . 2]" 2
806 1 70 ILE MD 1 101 TYR HA 1.800 . 4.200 4.112 3.970 4.216 0.016 8 0 "[ . 1 . 2]" 2
807 1 70 ILE MD 1 101 TYR QB 1.800 . 4.200 1.844 1.788 1.974 0.012 17 0 "[ . 1 . 2]" 2
808 1 70 ILE MD 1 102 THR H 1.800 . 5.000 3.636 2.925 4.238 . 0 0 "[ . 1 . 2]" 2
809 1 70 ILE MD 1 102 THR MG 1.800 . 3.200 1.848 1.791 2.196 0.009 14 0 "[ . 1 . 2]" 2
810 1 71 ASP H 1 72 GLY H 1.800 . 3.200 2.176 2.145 2.217 . 0 0 "[ . 1 . 2]" 2
811 1 71 ASP HA 1 73 SER H 1.800 . 5.000 4.651 4.559 4.838 . 0 0 "[ . 1 . 2]" 2
812 1 71 ASP QB 1 72 GLY H 1.800 . 5.000 2.975 2.847 3.177 . 0 0 "[ . 1 . 2]" 2
813 1 72 GLY H 1 73 SER H 1.800 . 4.200 2.362 2.256 2.469 . 0 0 "[ . 1 . 2]" 2
814 1 73 SER H 1 73 SER QB 1.800 . 3.200 2.407 2.084 2.805 . 0 0 "[ . 1 . 2]" 2
815 1 73 SER H 1 74 ARG H 1.800 . 3.200 2.675 2.630 2.724 . 0 0 "[ . 1 . 2]" 2
816 1 73 SER H 1 74 ARG QG 1.800 . 4.200 4.198 4.147 4.240 0.040 8 0 "[ . 1 . 2]" 2
817 1 73 SER QB 1 74 ARG H 1.800 . 5.000 2.698 2.319 3.290 . 0 0 "[ . 1 . 2]" 2
818 1 74 ARG H 1 74 ARG QG 1.800 . 4.200 2.192 2.052 2.358 . 0 0 "[ . 1 . 2]" 2
819 1 74 ARG HA 1 74 ARG QG 1.800 . 4.200 3.334 3.291 3.377 . 0 0 "[ . 1 . 2]" 2
820 1 74 ARG HA 1 75 LYS H 1.800 . 3.200 2.247 2.188 2.333 . 0 0 "[ . 1 . 2]" 2
821 1 74 ARG QB 1 75 LYS H 1.800 . 4.200 2.674 2.455 2.874 . 0 0 "[ . 1 . 2]" 2
822 1 74 ARG QD 1 76 ILE MD 1.800 . 5.000 3.553 2.617 4.675 . 0 0 "[ . 1 . 2]" 2
823 1 74 ARG HE 1 76 ILE MD 1.800 . 5.000 3.471 2.797 4.789 . 0 0 "[ . 1 . 2]" 2
824 1 75 LYS H 1 75 LYS QB 1.800 . 3.600 2.261 2.199 2.511 . 0 0 "[ . 1 . 2]" 2
825 1 75 LYS H 1 75 LYS QG 1.800 . 4.200 3.379 2.512 3.956 . 0 0 "[ . 1 . 2]" 2
826 1 75 LYS HA 1 76 ILE H 1.800 . 3.200 2.208 2.188 2.219 . 0 0 "[ . 1 . 2]" 2
827 1 75 LYS QB 1 76 ILE H 1.800 . 4.200 3.324 2.976 3.584 . 0 0 "[ . 1 . 2]" 2
828 1 75 LYS QE 1 75 LYS QG 1.800 . 4.200 2.374 2.291 2.863 . 0 0 "[ . 1 . 2]" 2
829 1 75 LYS QG 1 76 ILE H 1.800 . 5.000 2.919 2.434 4.179 . 0 0 "[ . 1 . 2]" 2
830 1 76 ILE H 1 76 ILE HB 1.800 . 3.600 2.513 2.472 2.540 . 0 0 "[ . 1 . 2]" 2
831 1 76 ILE H 1 76 ILE QG 1.800 . 3.200 2.163 2.104 2.262 . 0 0 "[ . 1 . 2]" 2
832 1 76 ILE H 1 76 ILE MD 1.800 . 3.600 3.646 3.617 3.674 0.074 9 0 "[ . 1 . 2]" 2
833 1 76 ILE H 1 82 LEU MD2 1.800 . 5.000 4.993 4.835 5.020 0.020 15 0 "[ . 1 . 2]" 2
834 1 76 ILE HA 1 76 ILE MG 1.800 . 3.600 2.286 2.259 2.328 . 0 0 "[ . 1 . 2]" 2
835 1 76 ILE HA 1 76 ILE MD 1.800 . 3.200 2.352 2.171 2.444 . 0 0 "[ . 1 . 2]" 2
836 1 76 ILE HA 1 77 GLY H 1.800 . 3.200 2.174 2.130 2.200 . 0 0 "[ . 1 . 2]" 2
837 1 76 ILE HB 1 77 GLY H 1.800 . 5.000 4.018 3.920 4.187 . 0 0 "[ . 1 . 2]" 2
838 1 76 ILE HB 1 78 SER H 1.800 . 5.000 4.724 4.533 4.814 . 0 0 "[ . 1 . 2]" 2
839 1 76 ILE MG 1 77 GLY H 1.800 . 3.600 2.243 2.090 2.628 . 0 0 "[ . 1 . 2]" 2
840 1 76 ILE MG 1 77 GLY QA 1.800 . 4.200 3.493 3.430 3.651 . 0 0 "[ . 1 . 2]" 2
841 1 76 ILE MG 1 78 SER H 1.800 . 3.200 2.260 2.174 2.312 . 0 0 "[ . 1 . 2]" 2
842 1 76 ILE MG 1 78 SER HA 1.800 . 5.000 4.083 3.988 4.126 . 0 0 "[ . 1 . 2]" 2
843 1 76 ILE MG 1 79 MET HA 1.800 . 5.000 3.657 3.484 3.769 . 0 0 "[ . 1 . 2]" 2
844 1 76 ILE MG 1 81 GLU H 1.800 . 3.600 3.329 3.235 3.397 . 0 0 "[ . 1 . 2]" 2
845 1 76 ILE MG 1 81 GLU QB 1.800 . 3.200 1.821 1.798 1.876 0.002 10 0 "[ . 1 . 2]" 2
846 1 76 ILE MG 1 81 GLU QG 1.800 . 4.200 2.765 2.378 3.373 . 0 0 "[ . 1 . 2]" 2
847 1 76 ILE MG 1 82 LEU HG 1.800 . 4.200 3.260 3.159 3.351 . 0 0 "[ . 1 . 2]" 2
848 1 76 ILE MG 1 82 LEU MD2 1.800 . 3.200 1.768 1.753 1.780 0.047 7 0 "[ . 1 . 2]" 2
849 1 76 ILE MG 1 88 TYR QD 1.800 . 5.000 5.054 5.035 5.080 0.080 5 0 "[ . 1 . 2]" 2
850 1 76 ILE MG 1 88 TYR QE 1.800 . 5.000 3.922 3.864 4.006 . 0 0 "[ . 1 . 2]" 2
851 1 76 ILE QG 1 77 GLY H 1.800 . 5.000 4.519 4.473 4.593 . 0 0 "[ . 1 . 2]" 2
852 1 76 ILE QG 1 82 LEU MD2 1.800 . 5.000 2.733 2.472 2.907 . 0 0 "[ . 1 . 2]" 2
853 1 76 ILE QG 1 88 TYR QE 1.800 . 5.000 2.014 1.872 2.234 . 0 0 "[ . 1 . 2]" 2
854 1 76 ILE MD 1 78 SER H 1.800 . 4.200 4.163 4.025 4.226 0.026 2 0 "[ . 1 . 2]" 2
855 1 76 ILE MD 1 81 GLU H 1.800 . 4.200 4.246 4.232 4.273 0.073 10 0 "[ . 1 . 2]" 2
856 1 76 ILE MD 1 81 GLU QB 1.800 . 3.600 1.796 1.785 1.838 0.015 6 0 "[ . 1 . 2]" 2
857 1 76 ILE MD 1 82 LEU MD2 1.800 . 4.200 2.777 2.644 2.991 . 0 0 "[ . 1 . 2]" 2
858 1 76 ILE MD 1 83 GLU H 1.800 . 5.000 5.041 5.027 5.056 0.056 2 0 "[ . 1 . 2]" 2
859 1 76 ILE MD 1 88 TYR QE 1.800 . 3.600 2.574 2.416 2.818 . 0 0 "[ . 1 . 2]" 2
860 1 77 GLY H 1 78 SER H 1.800 . 3.200 1.935 1.864 2.073 . 0 0 "[ . 1 . 2]" 2
861 1 77 GLY H 1 78 SER HA 1.800 . 5.000 4.692 4.628 4.798 . 0 0 "[ . 1 . 2]" 2
862 1 77 GLY H 1 81 GLU QB 1.800 . 5.000 4.010 3.890 4.337 . 0 0 "[ . 1 . 2]" 2
863 1 78 SER H 1 79 MET H 1.800 . 5.000 4.443 4.402 4.461 . 0 0 "[ . 1 . 2]" 2
864 1 78 SER H 1 81 GLU QB 1.800 . 4.200 3.565 3.434 3.766 . 0 0 "[ . 1 . 2]" 2
865 1 78 SER HA 1 79 MET H 1.800 . 3.200 2.224 2.174 2.254 . 0 0 "[ . 1 . 2]" 2
866 1 78 SER QB 1 81 GLU H 1.800 . 4.200 3.685 3.125 4.099 . 0 0 "[ . 1 . 2]" 2
867 1 78 SER QB 1 79 MET H 1.800 . 4.200 2.816 2.696 3.024 . 0 0 "[ . 1 . 2]" 2
868 1 78 SER QB 1 80 ASP H 1.800 . 3.600 2.550 2.339 2.876 . 0 0 "[ . 1 . 2]" 2
869 1 79 MET H 1 79 MET QG 1.800 . 4.200 3.814 3.659 3.970 . 0 0 "[ . 1 . 2]" 2
870 1 79 MET H 1 79 MET ME 1.800 . 5.000 4.042 3.589 4.573 . 0 0 "[ . 1 . 2]" 2
871 1 79 MET H 1 80 ASP H 1.800 . 3.600 2.614 2.600 2.628 . 0 0 "[ . 1 . 2]" 2
872 1 79 MET H 1 81 GLU H 1.800 . 4.200 4.246 4.224 4.259 0.059 17 0 "[ . 1 . 2]" 2
873 1 79 MET H 1 82 LEU MD2 1.800 . 5.000 5.020 5.011 5.036 0.036 10 0 "[ . 1 . 2]" 2
874 1 79 MET HA 1 79 MET QG 1.800 . 4.200 2.233 2.055 2.521 . 0 0 "[ . 1 . 2]" 2
875 1 79 MET HA 1 82 LEU H 1.800 . 4.200 3.355 3.259 3.485 . 0 0 "[ . 1 . 2]" 2
876 1 79 MET HA 1 82 LEU HG 1.800 . 4.200 1.959 1.889 2.084 . 0 0 "[ . 1 . 2]" 2
877 1 79 MET HA 1 82 LEU MD1 1.800 . 3.600 2.174 1.951 2.433 . 0 0 "[ . 1 . 2]" 2
878 1 79 MET HA 1 82 LEU MD2 1.800 . 5.000 3.081 3.018 3.133 . 0 0 "[ . 1 . 2]" 2
879 1 79 MET HB2 1 80 ASP H 1.800 . 3.600 3.605 3.594 3.612 0.012 3 0 "[ . 1 . 2]" 2
880 1 79 MET HB3 1 80 ASP H 1.800 . 3.600 3.121 3.085 3.134 . 0 0 "[ . 1 . 2]" 2
881 1 79 MET QG 1 82 LEU MD1 1.800 . 5.000 1.868 1.796 2.120 0.004 12 0 "[ . 1 . 2]" 2
882 1 80 ASP H 1 80 ASP HB2 1.800 . 3.600 2.030 2.028 2.032 . 0 0 "[ . 1 . 2]" 2
883 1 80 ASP H 1 80 ASP HB3 1.800 . 3.200 3.332 3.325 3.336 0.136 17 0 "[ . 1 . 2]" 2
884 1 80 ASP H 1 81 GLU H 1.800 . 3.600 2.699 2.666 2.719 . 0 0 "[ . 1 . 2]" 2
885 1 80 ASP HA 1 82 LEU H 1.800 . 4.200 3.872 3.800 3.943 . 0 0 "[ . 1 . 2]" 2
886 1 80 ASP HB2 1 81 GLU H 1.800 . 4.200 3.462 3.420 3.523 . 0 0 "[ . 1 . 2]" 2
887 1 80 ASP HB3 1 81 GLU H 1.800 . 4.200 3.599 3.558 3.658 . 0 0 "[ . 1 . 2]" 2
888 1 81 GLU H 1 81 GLU QB 1.800 . 3.200 2.384 2.267 2.580 . 0 0 "[ . 1 . 2]" 2
889 1 81 GLU H 1 82 LEU HG 1.800 . 5.000 3.305 3.256 3.352 . 0 0 "[ . 1 . 2]" 2
890 1 81 GLU H 1 82 LEU MD2 1.800 . 5.000 3.747 3.660 3.868 . 0 0 "[ . 1 . 2]" 2
891 1 81 GLU HA 1 81 GLU QG 1.800 . 3.200 2.547 2.229 2.974 . 0 0 "[ . 1 . 2]" 2
892 1 81 GLU QB 1 82 LEU H 1.800 . 4.200 3.145 3.102 3.205 . 0 0 "[ . 1 . 2]" 2
893 1 82 LEU H 1 82 LEU HB2 1.800 . 3.600 2.823 2.790 2.853 . 0 0 "[ . 1 . 2]" 2
894 1 82 LEU H 1 82 LEU HB3 1.800 . 3.600 3.605 3.601 3.612 0.012 10 0 "[ . 1 . 2]" 2
895 1 82 LEU H 1 82 LEU HG 1.800 . 3.200 1.945 1.901 1.975 . 0 0 "[ . 1 . 2]" 2
896 1 82 LEU H 1 82 LEU MD1 1.800 . 3.600 3.602 3.563 3.625 0.025 5 0 "[ . 1 . 2]" 2
897 1 82 LEU H 1 82 LEU MD2 1.800 . 4.200 2.745 2.634 2.883 . 0 0 "[ . 1 . 2]" 2
898 1 82 LEU HA 1 82 LEU MD1 1.800 . 4.200 3.932 3.891 3.967 . 0 0 "[ . 1 . 2]" 2
899 1 82 LEU HA 1 82 LEU MD2 1.800 . 3.600 2.207 2.098 2.288 . 0 0 "[ . 1 . 2]" 2
900 1 82 LEU HA 1 83 GLU H 1.800 . 3.200 2.149 2.135 2.164 . 0 0 "[ . 1 . 2]" 2
901 1 82 LEU HA 1 88 TYR QE 1.800 . 5.000 2.478 2.216 2.709 . 0 0 "[ . 1 . 2]" 2
902 1 82 LEU HB3 1 82 LEU MD2 1.800 . 3.600 2.433 2.404 2.471 . 0 0 "[ . 1 . 2]" 2
903 1 82 LEU HB3 1 83 GLU H 1.800 . 4.200 3.641 3.451 3.750 . 0 0 "[ . 1 . 2]" 2
904 1 82 LEU MD1 1 88 TYR QD 1.800 . 5.000 4.531 4.185 4.921 . 0 0 "[ . 1 . 2]" 2
905 1 82 LEU MD2 1 83 GLU H 1.800 . 4.200 4.104 4.037 4.176 . 0 0 "[ . 1 . 2]" 2
906 1 82 LEU MD2 1 88 TYR QE 1.800 . 4.200 2.701 2.273 2.971 . 0 0 "[ . 1 . 2]" 2
907 1 83 GLU H 1 83 GLU HB2 1.800 . 3.600 2.653 2.521 2.711 . 0 0 "[ . 1 . 2]" 2
908 1 83 GLU H 1 83 GLU QG 1.800 . 4.200 2.306 2.155 2.765 . 0 0 "[ . 1 . 2]" 2
909 1 83 GLU H 1 86 GLU HB2 1.800 . 4.200 3.426 3.317 3.530 . 0 0 "[ . 1 . 2]" 2
910 1 83 GLU H 1 86 GLU QG 1.800 . 5.000 2.079 1.921 2.961 . 0 0 "[ . 1 . 2]" 2
911 1 83 GLU HA 1 83 GLU QG 1.800 . 3.600 2.582 2.421 2.653 . 0 0 "[ . 1 . 2]" 2
912 1 83 GLU HA 1 84 GLU H 1.800 . 3.200 2.340 2.285 2.417 . 0 0 "[ . 1 . 2]" 2
913 1 83 GLU QG 1 84 GLU H 1.800 . 4.200 4.169 3.917 4.228 0.028 8 0 "[ . 1 . 2]" 2
914 1 84 GLU H 1 84 GLU QB 1.800 . 3.200 2.410 2.294 2.712 . 0 0 "[ . 1 . 2]" 2
915 1 84 GLU H 1 84 GLU QG 1.800 . 4.200 2.527 1.983 3.003 . 0 0 "[ . 1 . 2]" 2
916 1 84 GLU HA 1 84 GLU QG 1.800 . 4.200 2.436 2.164 3.400 . 0 0 "[ . 1 . 2]" 2
917 1 84 GLU HA 1 85 GLY H 1.800 . 3.200 2.344 2.317 2.412 . 0 0 "[ . 1 . 2]" 2
918 1 84 GLU HA 1 86 GLU H 1.800 . 4.200 3.594 3.310 3.791 . 0 0 "[ . 1 . 2]" 2
919 1 84 GLU QB 1 85 GLY H 1.800 . 4.200 2.447 2.328 2.495 . 0 0 "[ . 1 . 2]" 2
920 1 84 GLU QG 1 85 GLY H 1.800 . 4.200 3.734 3.484 3.929 . 0 0 "[ . 1 . 2]" 2
921 1 85 GLY H 1 86 GLU H 1.800 . 3.600 3.006 2.894 3.140 . 0 0 "[ . 1 . 2]" 2
922 1 85 GLY H 1 109 TRP HH2 1.800 . 5.000 5.024 4.994 5.055 0.055 12 0 "[ . 1 . 2]" 2
923 1 85 GLY HA3 1 109 TRP HE3 1.800 . 5.000 5.049 5.020 5.077 0.077 5 0 "[ . 1 . 2]" 2
924 1 85 GLY HA3 1 109 TRP HH2 1.800 . 5.000 3.835 3.061 4.180 . 0 0 "[ . 1 . 2]" 2
925 1 85 GLY HA2 1 109 TRP HH2 1.800 . 5.000 3.069 2.881 3.235 . 0 0 "[ . 1 . 2]" 2
926 1 86 GLU H 1 86 GLU HB2 1.800 . 3.600 2.283 2.246 2.361 . 0 0 "[ . 1 . 2]" 2
927 1 86 GLU H 1 86 GLU QG 1.800 . 3.600 3.149 2.935 3.317 . 0 0 "[ . 1 . 2]" 2
928 1 86 GLU HA 1 86 GLU QG 1.800 . 4.200 2.467 2.127 2.809 . 0 0 "[ . 1 . 2]" 2
929 1 86 GLU HA 1 87 SER H 1.800 . 3.200 2.401 2.268 2.506 . 0 0 "[ . 1 . 2]" 2
930 1 86 GLU HB2 1 87 SER H 1.800 . 4.200 3.810 3.597 4.092 . 0 0 "[ . 1 . 2]" 2
931 1 86 GLU HB2 1 88 TYR QE 1.800 . 5.000 3.158 2.788 3.597 . 0 0 "[ . 1 . 2]" 2
932 1 86 GLU HB3 1 87 SER H 1.800 . 3.600 2.423 2.182 2.825 . 0 0 "[ . 1 . 2]" 2
933 1 86 GLU QG 1 87 SER H 1.800 . 4.200 3.862 3.331 4.064 . 0 0 "[ . 1 . 2]" 2
934 1 87 SER H 1 87 SER HB3 1.800 . 4.200 3.716 3.572 3.839 . 0 0 "[ . 1 . 2]" 2
935 1 87 SER HA 1 88 TYR H 1.800 . 3.200 2.161 2.150 2.184 . 0 0 "[ . 1 . 2]" 2
936 1 87 SER HB2 1 88 TYR H 1.800 . 5.000 4.361 4.149 4.489 . 0 0 "[ . 1 . 2]" 2
937 1 87 SER HB3 1 88 TYR H 1.800 . 4.200 3.489 3.264 3.602 . 0 0 "[ . 1 . 2]" 2
938 1 88 TYR HA 1 88 TYR QE 1.800 . 5.000 4.285 4.205 4.351 . 0 0 "[ . 1 . 2]" 2
939 1 88 TYR HA 1 89 VAL H 1.800 . 3.600 2.271 2.259 2.281 . 0 0 "[ . 1 . 2]" 2
940 1 88 TYR HA 1 89 VAL MG2 1.800 . 4.200 3.978 3.739 4.157 . 0 0 "[ . 1 . 2]" 2
941 1 88 TYR HB2 1 89 VAL H 1.800 . 3.600 3.782 3.774 3.791 0.191 2 0 "[ . 1 . 2]" 2
942 1 88 TYR HB3 1 89 VAL H 1.800 . 4.200 2.445 2.436 2.454 . 0 0 "[ . 1 . 2]" 2
943 1 88 TYR QE 1 89 VAL H 1.800 . 5.000 5.145 5.121 5.165 0.165 7 0 "[ . 1 . 2]" 2
944 1 89 VAL H 1 89 VAL HB 1.800 . 3.600 2.514 2.441 2.566 . 0 0 "[ . 1 . 2]" 2
945 1 89 VAL H 1 89 VAL MG2 1.800 . 4.200 3.267 3.083 3.394 . 0 0 "[ . 1 . 2]" 2
946 1 89 VAL HA 1 89 VAL MG1 1.800 . 3.600 2.624 2.521 2.709 . 0 0 "[ . 1 . 2]" 2
947 1 89 VAL HA 1 89 VAL MG2 1.800 . 3.600 2.165 2.095 2.258 . 0 0 "[ . 1 . 2]" 2
948 1 89 VAL HA 1 90 CYS H 1.800 . 3.200 2.191 2.169 2.219 . 0 0 "[ . 1 . 2]" 2
949 1 89 VAL HB 1 96 PHE QD 1.800 . 5.000 4.276 3.614 4.791 . 0 0 "[ . 1 . 2]" 2
950 1 89 VAL HB 1 96 PHE QE 1.800 . 3.600 2.878 1.989 3.622 0.022 7 0 "[ . 1 . 2]" 2
951 1 89 VAL MG1 1 90 CYS H 1.800 . 3.600 2.262 2.144 2.413 . 0 0 "[ . 1 . 2]" 2
952 1 89 VAL MG1 1 96 PHE QD 1.800 . 5.000 3.013 2.569 3.506 . 0 0 "[ . 1 . 2]" 2
953 1 89 VAL MG1 1 96 PHE QE 1.800 . 4.200 2.830 1.912 3.617 . 0 0 "[ . 1 . 2]" 2
954 1 89 VAL MG1 1 101 TYR QE 1.800 . 4.200 3.524 3.315 3.844 . 0 0 "[ . 1 . 2]" 2
955 1 89 VAL MG2 1 90 CYS H 1.800 . 4.200 3.555 3.418 3.726 . 0 0 "[ . 1 . 2]" 2
956 1 89 VAL MG2 1 96 PHE QD 1.800 . 5.000 4.257 3.714 4.696 . 0 0 "[ . 1 . 2]" 2
957 1 89 VAL MG2 1 96 PHE QE 1.800 . 3.600 2.772 2.089 3.232 . 0 0 "[ . 1 . 2]" 2
958 1 89 VAL MG2 1 96 PHE HZ 1.800 . 4.200 3.426 1.951 4.209 0.009 14 0 "[ . 1 . 2]" 2
959 1 89 VAL MG2 1 101 TYR QD 1.800 . 3.600 3.086 2.873 3.449 . 0 0 "[ . 1 . 2]" 2
960 1 89 VAL MG2 1 101 TYR QE 1.800 . 4.200 2.395 2.035 2.868 . 0 0 "[ . 1 . 2]" 2
961 1 90 CYS H 1 90 CYS QB 1.800 . 3.200 2.369 2.245 2.593 . 0 0 "[ . 1 . 2]" 2
962 1 90 CYS H 1 90 CYS HG 1.800 . 4.200 3.449 2.494 4.175 . 0 0 "[ . 1 . 2]" 2
963 1 90 CYS HA 1 91 SER H 1.800 . 3.200 2.148 2.122 2.163 . 0 0 "[ . 1 . 2]" 2
964 1 90 CYS QB 1 91 SER H 1.800 . 4.200 3.203 3.087 3.376 . 0 0 "[ . 1 . 2]" 2
965 1 91 SER H 1 91 SER HB2 1.800 . 4.200 2.741 2.529 2.792 . 0 0 "[ . 1 . 2]" 2
966 1 91 SER H 1 91 SER HB3 1.800 . 4.200 3.832 3.709 3.860 . 0 0 "[ . 1 . 2]" 2
967 1 91 SER H 1 94 ASN QD 1.800 . 5.000 4.993 4.795 5.041 0.041 16 0 "[ . 1 . 2]" 2
968 1 91 SER HA 1 92 SER H 1.800 . 3.600 2.364 2.144 2.458 . 0 0 "[ . 1 . 2]" 2
969 1 91 SER HA 1 93 ASP H 1.800 . 4.200 4.177 3.962 4.269 0.069 13 0 "[ . 1 . 2]" 2
970 1 91 SER HA 1 94 ASN QD 1.800 . 5.000 2.304 1.996 2.382 . 0 0 "[ . 1 . 2]" 2
971 1 91 SER HB3 1 92 SER H 1.800 . 5.000 2.535 2.307 3.413 . 0 0 "[ . 1 . 2]" 2
972 1 91 SER HB3 1 93 ASP H 1.800 . 4.200 4.179 3.871 4.282 0.082 13 0 "[ . 1 . 2]" 2
973 1 91 SER HB3 1 94 ASN QD 1.800 . 4.200 3.179 2.760 4.056 . 0 0 "[ . 1 . 2]" 2
974 1 92 SER H 1 93 ASP H 1.800 . 3.600 2.074 1.891 2.440 . 0 0 "[ . 1 . 2]" 2
975 1 92 SER H 1 94 ASN QD 1.800 . 5.000 2.403 2.114 2.777 . 0 0 "[ . 1 . 2]" 2
976 1 92 SER QB 1 93 ASP H 1.800 . 3.600 2.598 2.266 3.225 . 0 0 "[ . 1 . 2]" 2
977 1 93 ASP H 1 94 ASN QD 1.800 . 3.200 2.702 2.167 3.212 0.012 15 0 "[ . 1 . 2]" 2
978 1 94 ASN QB 1 95 PHE H 1.800 . 4.200 2.548 1.905 3.981 . 0 0 "[ . 1 . 2]" 2
979 1 95 PHE H 1 95 PHE QB 1.800 . 3.200 2.558 2.134 3.209 0.009 19 0 "[ . 1 . 2]" 2
980 1 95 PHE H 1 96 PHE H 1.800 . 5.000 3.321 2.137 4.593 . 0 0 "[ . 1 . 2]" 2
981 1 95 PHE HA 1 96 PHE H 1.800 . 3.200 2.782 2.266 3.402 0.202 15 0 "[ . 1 . 2]" 2
982 1 95 PHE QB 1 96 PHE H 1.800 . 4.200 3.464 1.835 4.030 . 0 0 "[ . 1 . 2]" 2
983 1 96 PHE H 1 96 PHE HB2 1.800 . 3.200 2.921 2.213 3.202 0.002 8 0 "[ . 1 . 2]" 2
984 1 96 PHE H 1 96 PHE HB3 1.800 . 3.600 3.338 2.549 3.718 0.118 10 0 "[ . 1 . 2]" 2
985 1 96 PHE HA 1 97 LYS H 1.800 . 3.200 2.187 2.135 2.306 . 0 0 "[ . 1 . 2]" 2
986 1 96 PHE HA 1 97 LYS QG 1.800 . 5.000 3.864 3.306 4.619 . 0 0 "[ . 1 . 2]" 2
987 1 96 PHE QE 1 98 LYS HA 1.800 . 4.200 2.578 2.103 3.213 . 0 0 "[ . 1 . 2]" 2
988 1 96 PHE QE 1 98 LYS HB2 1.800 . 5.000 4.160 2.850 5.016 0.016 9 0 "[ . 1 . 2]" 2
989 1 96 PHE QE 1 98 LYS HB3 1.800 . 5.000 3.378 1.956 4.852 . 0 0 "[ . 1 . 2]" 2
990 1 96 PHE QE 1 98 LYS QG 1.800 . 5.000 3.423 1.970 4.938 . 0 0 "[ . 1 . 2]" 2
991 1 96 PHE QE 1 99 VAL H 1.800 . 5.000 4.240 3.557 4.995 . 0 0 "[ . 1 . 2]" 2
992 1 97 LYS H 1 97 LYS QG 1.800 . 4.200 2.887 2.259 3.553 . 0 0 "[ . 1 . 2]" 2
993 1 97 LYS H 1 98 LYS H 1.800 . 5.000 3.482 2.166 4.454 . 0 0 "[ . 1 . 2]" 2
994 1 97 LYS H 1 98 LYS QD 1.800 . 5.000 4.632 3.722 5.009 0.009 11 0 "[ . 1 . 2]" 2
995 1 97 LYS HA 1 97 LYS QG 1.800 . 3.200 2.506 2.178 3.064 . 0 0 "[ . 1 . 2]" 2
996 1 97 LYS HA 1 98 LYS H 1.800 . 3.200 2.583 2.118 3.296 0.096 15 0 "[ . 1 . 2]" 2
997 1 97 LYS QB 1 99 VAL MG2 1.800 . 5.000 2.767 2.484 4.801 . 0 0 "[ . 1 . 2]" 2
998 1 97 LYS QE 1 97 LYS QG 1.800 . 3.200 2.136 2.029 2.452 . 0 0 "[ . 1 . 2]" 2
999 1 97 LYS QG 1 98 LYS H 1.800 . 4.200 4.100 3.801 4.240 0.040 8 0 "[ . 1 . 2]" 2
1000 1 98 LYS H 1 98 LYS QB 1.800 . 3.600 2.679 2.117 3.368 . 0 0 "[ . 1 . 2]" 2
1001 1 98 LYS H 1 98 LYS QG 1.800 . 4.200 2.984 1.965 3.738 . 0 0 "[ . 1 . 2]" 2
1002 1 98 LYS H 1 98 LYS QD 1.800 . 5.000 2.525 1.967 3.428 . 0 0 "[ . 1 . 2]" 2
1003 1 98 LYS H 1 99 VAL H 1.800 . 5.000 3.976 3.479 4.264 . 0 0 "[ . 1 . 2]" 2
1004 1 98 LYS HA 1 98 LYS QG 1.800 . 4.200 2.863 2.165 3.455 . 0 0 "[ . 1 . 2]" 2
1005 1 98 LYS HA 1 98 LYS QD 1.800 . 5.000 3.352 2.230 4.017 . 0 0 "[ . 1 . 2]" 2
1006 1 98 LYS HA 1 99 VAL H 1.800 . 3.200 2.213 2.096 2.285 . 0 0 "[ . 1 . 2]" 2
1007 1 98 LYS HA 1 99 VAL MG2 1.800 . 5.000 3.641 3.461 5.136 0.136 16 0 "[ . 1 . 2]" 2
1008 1 98 LYS HA 1 101 TYR QE 1.800 . 4.200 3.330 2.782 4.211 0.011 14 0 "[ . 1 . 2]" 2
1009 1 98 LYS QB 1 99 VAL H 1.800 . 4.200 3.697 3.555 3.778 . 0 0 "[ . 1 . 2]" 2
1010 1 98 LYS QG 1 99 VAL H 1.800 . 5.000 4.383 3.997 4.884 . 0 0 "[ . 1 . 2]" 2
1011 1 98 LYS QE 1 98 LYS QG 1.800 . 3.600 2.119 1.945 2.418 . 0 0 "[ . 1 . 2]" 2
1012 1 99 VAL H 1 99 VAL MG1 1.800 . 4.200 3.515 2.086 3.630 . 0 0 "[ . 1 . 2]" 2
1013 1 99 VAL H 1 99 VAL MG2 1.800 . 3.600 2.095 1.887 3.372 . 0 0 "[ . 1 . 2]" 2
1014 1 99 VAL H 1 101 TYR QE 1.800 . 4.200 3.021 2.697 3.798 . 0 0 "[ . 1 . 2]" 2
1015 1 99 VAL HA 1 99 VAL MG1 1.800 . 3.600 2.122 1.983 3.019 . 0 0 "[ . 1 . 2]" 2
1016 1 99 VAL HA 1 100 GLU H 1.800 . 3.600 2.575 2.419 2.802 . 0 0 "[ . 1 . 2]" 2
1017 1 99 VAL HB 1 100 GLU H 1.800 . 4.200 2.200 1.799 3.254 0.001 14 0 "[ . 1 . 2]" 2
1018 1 99 VAL MG1 1 100 GLU H 1.800 . 4.200 2.756 2.649 4.042 . 0 0 "[ . 1 . 2]" 2
1019 1 99 VAL MG1 1 100 GLU HA 1.800 . 5.000 5.040 5.007 5.132 0.132 16 0 "[ . 1 . 2]" 2
1020 1 99 VAL MG1 1 101 TYR H 1.800 . 5.000 5.037 5.009 5.067 0.067 14 0 "[ . 1 . 2]" 2
1021 1 99 VAL MG2 1 100 GLU H 1.800 . 5.000 3.642 1.899 3.936 . 0 0 "[ . 1 . 2]" 2
1022 1 99 VAL MG2 1 101 TYR H 1.800 . 5.000 3.767 3.699 3.840 . 0 0 "[ . 1 . 2]" 2
1023 1 99 VAL MG2 1 101 TYR QD 1.800 . 4.200 3.218 2.213 3.422 . 0 0 "[ . 1 . 2]" 2
1024 1 99 VAL MG2 1 101 TYR QE 1.800 . 4.200 2.669 1.914 3.294 . 0 0 "[ . 1 . 2]" 2
1025 1 100 GLU H 1 100 GLU QG 1.800 . 5.000 2.571 1.927 3.576 . 0 0 "[ . 1 . 2]" 2
1026 1 100 GLU HA 1 101 TYR H 1.800 . 3.200 2.392 2.088 2.489 . 0 0 "[ . 1 . 2]" 2
1027 1 100 GLU HA 1 101 TYR QD 1.800 . 5.000 4.996 4.778 5.044 0.044 2 0 "[ . 1 . 2]" 2
1028 1 100 GLU HA 1 102 THR H 1.800 . 4.200 3.584 3.107 4.227 0.027 12 0 "[ . 1 . 2]" 2
1029 1 100 GLU QG 1 103 LYS H 1.800 . 5.000 4.312 3.502 5.013 0.013 14 0 "[ . 1 . 2]" 2
1030 1 101 TYR H 1 101 TYR HB2 1.800 . 3.600 2.225 2.140 2.304 . 0 0 "[ . 1 . 2]" 2
1031 1 101 TYR H 1 101 TYR HB3 1.800 . 3.600 3.499 3.464 3.534 . 0 0 "[ . 1 . 2]" 2
1032 1 101 TYR H 1 101 TYR QD 1.800 . 3.600 3.095 2.699 3.506 . 0 0 "[ . 1 . 2]" 2
1033 1 101 TYR H 1 102 THR H 1.800 . 4.200 2.845 2.501 3.140 . 0 0 "[ . 1 . 2]" 2
1034 1 101 TYR H 1 102 THR MG 1.800 . 5.000 4.479 3.897 4.998 . 0 0 "[ . 1 . 2]" 2
1035 1 101 TYR HA 1 101 TYR QD 1.800 . 3.600 2.121 1.792 2.282 0.008 6 0 "[ . 1 . 2]" 2
1036 1 101 TYR HA 1 102 THR MG 1.800 . 5.000 4.167 3.652 4.603 . 0 0 "[ . 1 . 2]" 2
1037 1 101 TYR HA 1 103 LYS H 1.800 . 5.000 4.565 3.878 5.011 0.011 3 0 "[ . 1 . 2]" 2
1038 1 101 TYR HB2 1 102 THR H 1.800 . 4.200 2.650 2.187 3.355 . 0 0 "[ . 1 . 2]" 2
1039 1 101 TYR HB2 1 102 THR MG 1.800 . 4.200 3.121 2.812 3.498 . 0 0 "[ . 1 . 2]" 2
1040 1 101 TYR HB3 1 102 THR H 1.800 . 4.200 3.317 2.683 3.962 . 0 0 "[ . 1 . 2]" 2
1041 1 101 TYR HB3 1 102 THR MG 1.800 . 4.200 2.731 2.095 3.377 . 0 0 "[ . 1 . 2]" 2
1042 1 102 THR H 1 102 THR MG 1.800 . 3.600 2.649 2.107 3.050 . 0 0 "[ . 1 . 2]" 2
1043 1 102 THR H 1 103 LYS H 1.800 . 4.200 2.068 1.742 2.519 0.058 3 0 "[ . 1 . 2]" 2
1044 1 102 THR H 1 103 LYS QB 1.800 . 5.000 3.867 3.383 4.316 . 0 0 "[ . 1 . 2]" 2
1045 1 102 THR H 1 105 VAL MG2 1.800 . 3.600 3.633 3.397 3.699 0.099 11 0 "[ . 1 . 2]" 2
1046 1 102 THR HA 1 102 THR MG 1.800 . 3.200 2.538 2.355 3.216 0.016 13 0 "[ . 1 . 2]" 2
1047 1 102 THR HA 1 103 LYS H 1.800 . 3.600 3.262 3.040 3.505 . 0 0 "[ . 1 . 2]" 2
1048 1 102 THR HA 1 105 VAL HB 1.800 . 3.600 2.386 2.022 2.658 . 0 0 "[ . 1 . 2]" 2
1049 1 102 THR HA 1 105 VAL MG1 1.800 . 5.000 3.363 3.148 3.926 . 0 0 "[ . 1 . 2]" 2
1050 1 102 THR HA 1 105 VAL MG2 1.800 . 3.600 2.030 1.856 2.315 . 0 0 "[ . 1 . 2]" 2
1051 1 102 THR HB 1 103 LYS H 1.800 . 5.000 4.367 3.988 4.589 . 0 0 "[ . 1 . 2]" 2
1052 1 102 THR MG 1 103 LYS H 1.800 . 4.200 4.085 3.514 4.228 0.028 4 0 "[ . 1 . 2]" 2
1053 1 103 LYS H 1 103 LYS QB 1.800 . 3.200 2.224 2.056 2.573 . 0 0 "[ . 1 . 2]" 2
1054 1 103 LYS H 1 103 LYS QG 1.800 . 3.600 3.038 2.047 3.617 0.017 9 0 "[ . 1 . 2]" 2
1055 1 103 LYS H 1 104 ASN H 1.800 . 5.000 4.194 2.532 4.533 . 0 0 "[ . 1 . 2]" 2
1056 1 103 LYS HA 1 104 ASN H 1.800 . 3.200 2.240 2.083 3.282 0.082 4 0 "[ . 1 . 2]" 2
1057 1 103 LYS QB 1 104 ASN H 1.800 . 5.000 3.453 3.200 3.932 . 0 0 "[ . 1 . 2]" 2
1058 1 103 LYS QB 1 105 VAL H 1.800 . 5.000 4.600 4.432 5.089 0.089 3 0 "[ . 1 . 2]" 2
1059 1 103 LYS QG 1 104 ASN H 1.800 . 4.200 3.789 3.257 4.215 0.015 18 0 "[ . 1 . 2]" 2
1060 1 103 LYS QG 1 104 ASN QD 1.800 . 5.000 4.198 3.215 5.011 0.011 19 0 "[ . 1 . 2]" 2
1061 1 104 ASN H 1 105 VAL H 1.800 . 4.200 2.460 1.789 2.693 0.011 4 0 "[ . 1 . 2]" 2
1062 1 104 ASN HA 1 105 VAL H 1.800 . 3.600 3.142 3.053 3.431 . 0 0 "[ . 1 . 2]" 2
1063 1 104 ASN QB 1 105 VAL H 1.800 . 3.600 3.622 3.595 3.656 0.056 15 0 "[ . 1 . 2]" 2
1064 1 105 VAL H 1 105 VAL HB 1.800 . 3.200 2.591 2.516 2.669 . 0 0 "[ . 1 . 2]" 2
1065 1 105 VAL H 1 105 VAL MG1 1.800 . 4.200 3.808 3.794 3.819 . 0 0 "[ . 1 . 2]" 2
1066 1 105 VAL H 1 105 VAL MG2 1.800 . 3.600 2.393 2.172 2.555 . 0 0 "[ . 1 . 2]" 2
1067 1 105 VAL HA 1 105 VAL MG1 1.800 . 3.200 2.305 2.198 2.404 . 0 0 "[ . 1 . 2]" 2
1068 1 105 VAL HA 1 105 VAL MG2 1.800 . 3.200 2.399 2.318 2.481 . 0 0 "[ . 1 . 2]" 2
1069 1 105 VAL HA 1 106 ASN H 1.800 . 3.600 2.742 2.144 3.543 . 0 0 "[ . 1 . 2]" 2
1070 1 105 VAL MG1 1 106 ASN H 1.800 . 4.200 2.841 2.059 3.881 . 0 0 "[ . 1 . 2]" 2
1071 1 105 VAL MG1 1 107 PRO HA 1.800 . 4.200 4.165 3.969 4.217 0.017 20 0 "[ . 1 . 2]" 2
1072 1 105 VAL MG1 1 108 ASN H 1.800 . 5.000 4.864 4.292 5.027 0.027 3 0 "[ . 1 . 2]" 2
1073 1 106 ASN H 1 106 ASN QB 1.800 . 3.600 2.640 2.102 3.142 . 0 0 "[ . 1 . 2]" 2
1074 1 106 ASN QD 1 108 ASN QB 1.800 . 4.200 3.256 2.190 4.201 0.001 6 0 "[ . 1 . 2]" 2
1075 1 107 PRO HA 1 109 TRP H 1.800 . 4.200 3.281 3.028 4.240 0.040 13 0 "[ . 1 . 2]" 2
1076 1 107 PRO HA 1 109 TRP HD1 1.800 . 4.200 3.241 2.624 3.792 . 0 0 "[ . 1 . 2]" 2
1077 1 107 PRO HA 1 109 TRP HE1 1.800 . 4.200 2.240 1.928 2.764 . 0 0 "[ . 1 . 2]" 2
1078 1 107 PRO QD 1 108 ASN H 1.800 . 4.200 3.526 2.993 4.244 0.044 7 0 "[ . 1 . 2]" 2
1079 1 108 ASN H 1 108 ASN QB 1.800 . 3.600 2.541 2.257 3.158 . 0 0 "[ . 1 . 2]" 2
1080 1 108 ASN H 1 108 ASN QD 1.800 . 5.000 3.796 2.036 4.870 . 0 0 "[ . 1 . 2]" 2
1081 1 108 ASN H 1 109 TRP H 1.800 . 4.200 2.632 1.906 3.781 . 0 0 "[ . 1 . 2]" 2
1082 1 108 ASN HA 1 108 ASN QD 1.800 . 5.000 3.684 2.886 4.364 . 0 0 "[ . 1 . 2]" 2
1083 1 108 ASN HA 1 109 TRP H 1.800 . 3.600 3.069 2.376 3.331 . 0 0 "[ . 1 . 2]" 2
1084 1 108 ASN HA 1 110 SER H 1.800 . 4.200 3.656 3.164 4.130 . 0 0 "[ . 1 . 2]" 2
1085 1 108 ASN HA 1 111 VAL H 1.800 . 5.000 3.810 3.041 5.005 0.005 20 0 "[ . 1 . 2]" 2
1086 1 108 ASN HA 1 111 VAL MG2 1.800 . 4.200 2.542 1.877 4.231 0.031 19 0 "[ . 1 . 2]" 2
1087 1 108 ASN QB 1 109 TRP H 1.800 . 4.200 3.699 3.474 4.017 . 0 0 "[ . 1 . 2]" 2
1088 1 108 ASN QB 1 111 VAL MG2 1.800 . 3.600 3.093 2.043 3.617 0.017 6 0 "[ . 1 . 2]" 2
1089 1 108 ASN QB 1 111 VAL MG1 1.800 . 4.200 4.035 2.608 4.218 0.018 13 0 "[ . 1 . 2]" 2
1090 1 109 TRP H 1 109 TRP QB 1.800 . 3.600 2.943 2.801 3.376 . 0 0 "[ . 1 . 2]" 2
1091 1 109 TRP HA 1 109 TRP HE3 1.800 . 5.000 4.600 4.459 4.770 . 0 0 "[ . 1 . 2]" 2
1092 1 109 TRP HA 1 110 SER H 1.800 . 3.600 3.472 3.323 3.543 . 0 0 "[ . 1 . 2]" 2
1093 1 109 TRP HA 1 111 VAL H 1.800 . 5.000 3.756 3.388 4.138 . 0 0 "[ . 1 . 2]" 2
1094 1 109 TRP QB 1 110 SER H 1.800 . 5.000 3.421 3.082 3.718 . 0 0 "[ . 1 . 2]" 2
1095 1 109 TRP HE3 1 110 SER HA 1.800 . 3.600 3.103 2.691 3.597 . 0 0 "[ . 1 . 2]" 2
1096 1 109 TRP HE3 1 110 SER QB 1.800 . 5.000 2.927 2.017 4.029 . 0 0 "[ . 1 . 2]" 2
1097 1 109 TRP HZ3 1 110 SER HA 1.800 . 5.000 4.444 3.891 5.002 0.002 8 0 "[ . 1 . 2]" 2
1098 1 110 SER H 1 110 SER QB 1.800 . 3.600 2.558 2.111 2.952 . 0 0 "[ . 1 . 2]" 2
1099 1 110 SER H 1 111 VAL H 1.800 . 4.200 2.671 2.352 3.431 . 0 0 "[ . 1 . 2]" 2
1100 1 110 SER H 1 111 VAL MG2 1.800 . 4.200 3.523 3.128 4.207 0.007 9 0 "[ . 1 . 2]" 2
1101 1 111 VAL H 1 111 VAL HB 1.800 . 3.600 3.136 2.606 3.645 0.045 10 0 "[ . 1 . 2]" 2
1102 1 111 VAL H 1 111 VAL MG2 1.800 . 3.600 2.199 1.886 2.917 . 0 0 "[ . 1 . 2]" 2
1103 1 111 VAL H 1 112 ASN H 1.800 . 5.000 2.370 1.851 3.130 . 0 0 "[ . 1 . 2]" 2
1104 1 111 VAL H 1 112 ASN QB 1.800 . 4.200 4.034 3.482 4.209 0.009 16 0 "[ . 1 . 2]" 2
1105 1 111 VAL HA 1 111 VAL MG2 1.800 . 3.200 2.800 2.440 3.202 0.002 10 0 "[ . 1 . 2]" 2
1106 1 111 VAL HB 1 112 ASN H 1.800 . 4.200 3.787 2.617 4.216 0.016 7 0 "[ . 1 . 2]" 2
1107 1 111 VAL MG1 1 112 ASN H 1.800 . 5.000 4.091 3.619 4.351 . 0 0 "[ . 1 . 2]" 2
1108 1 112 ASN H 1 112 ASN HB2 1.800 . 4.200 2.350 2.195 2.739 . 0 0 "[ . 1 . 2]" 2
1109 1 112 ASN H 1 112 ASN HB3 1.800 . 4.200 3.550 3.382 3.765 . 0 0 "[ . 1 . 2]" 2
1110 1 112 ASN H 1 113 VAL H 1.800 . 3.600 3.250 2.292 3.635 0.035 17 0 "[ . 1 . 2]" 2
1111 1 112 ASN HA 1 113 VAL H 1.800 . 3.200 2.715 2.373 3.313 0.113 16 0 "[ . 1 . 2]" 2
1112 1 112 ASN HB2 1 113 VAL H 1.800 . 5.000 4.190 1.989 4.570 . 0 0 "[ . 1 . 2]" 2
1113 1 112 ASN HB2 1 113 VAL MG1 1.800 . 5.000 4.534 3.793 5.012 0.012 10 0 "[ . 1 . 2]" 2
1114 1 113 VAL H 1 113 VAL MG2 1.800 . 3.600 2.021 1.948 2.172 . 0 0 "[ . 1 . 2]" 2
1115 1 15 ALA HA 1 36 SER HA 1.800 . 3.200 2.954 2.519 3.217 0.017 17 0 "[ . 1 . 2]" 2
1116 1 19 ARG HA 1 32 VAL HA 1.800 . 3.200 2.383 2.106 2.564 . 0 0 "[ . 1 . 2]" 2
1117 1 68 TYR HA 1 75 LYS HA 1.800 . 3.200 1.827 1.761 1.943 0.039 10 0 "[ . 1 . 2]" 2
1118 1 47 LEU MD1 1 47 LEU MD2 1.800 . 3.200 2.031 1.945 2.075 . 0 0 "[ . 1 . 2]" 2
1119 1 51 THR HA 1 64 VAL MG2 1.800 . 3.600 2.444 2.022 2.743 . 0 0 "[ . 1 . 2]" 2
1120 1 20 PHE QE 1 67 ILE MG 1.800 . 3.600 3.462 3.354 3.611 0.011 20 0 "[ . 1 . 2]" 2
1121 1 39 ARG QD 1 39 ARG QG 1.800 . 3.200 2.058 2.022 2.090 . 0 0 "[ . 1 . 2]" 2
1122 1 76 ILE QG 1 76 ILE MG 1.800 . 4.200 2.412 2.324 2.462 . 0 0 "[ . 1 . 2]" 2
1123 1 40 PHE QB 1 45 ALA MB 1.800 . 4.200 2.389 2.218 2.601 . 0 0 "[ . 1 . 2]" 2
1124 1 46 LEU HB3 1 46 LEU MD2 1.800 . 4.200 2.302 2.126 2.434 . 0 0 "[ . 1 . 2]" 2
1125 1 67 ILE MG 1 88 TYR QD 1.800 . 4.200 2.361 2.191 2.734 . 0 0 "[ . 1 . 2]" 2
1126 1 79 MET HA 1 79 MET ME 1.800 . 4.200 3.809 3.315 4.232 0.032 18 0 "[ . 1 . 2]" 2
1127 1 51 THR MG 1 64 VAL HB 1.800 . 4.200 3.618 3.025 4.226 0.026 1 0 "[ . 1 . 2]" 2
1128 1 9 LEU H 1 9 LEU MD2 1.800 . 4.200 3.424 1.903 4.233 0.033 15 0 "[ . 1 . 2]" 2
1129 1 20 PHE HB3 1 54 LEU MD1 1.800 . 5.000 2.479 2.021 2.907 . 0 0 "[ . 1 . 2]" 2
1130 1 32 VAL MG2 1 109 TRP QB 1.800 . 5.000 2.340 1.786 2.886 0.014 8 0 "[ . 1 . 2]" 2
1131 1 9 LEU H 1 9 LEU HG 1.800 . 5.000 3.624 2.087 5.000 . 0 0 "[ . 1 . 2]" 2
1132 1 33 TYR QD 1 35 VAL MG1 1.800 . 5.000 5.023 5.015 5.034 0.034 20 0 "[ . 1 . 2]" 2
1133 1 15 ALA MB 1 17 LYS QE 1.800 . 5.000 4.168 3.142 4.778 . 0 0 "[ . 1 . 2]" 2
1134 1 20 PHE QD 1 35 VAL MG2 1.800 . 5.000 4.879 4.686 5.016 0.016 9 0 "[ . 1 . 2]" 2
1135 1 29 LYS QE 1 29 LYS QG 1.800 . 5.000 2.162 1.962 2.400 . 0 0 "[ . 1 . 2]" 2
1136 1 100 GLU HB3 1 101 TYR H 1.800 . 5.000 4.293 3.758 4.573 . 0 0 "[ . 1 . 2]" 2
1137 1 50 LEU HA 1 64 VAL MG2 1.800 . 5.000 4.067 3.839 4.252 . 0 0 "[ . 1 . 2]" 2
1138 1 100 GLU HB2 1 101 TYR H 1.800 . 5.000 4.398 4.270 4.493 . 0 0 "[ . 1 . 2]" 2
1139 1 47 LEU MD2 1 67 ILE HB 1.800 . 5.000 4.025 3.967 4.095 . 0 0 "[ . 1 . 2]" 2
1140 1 43 PHE QE 1 75 LYS QD 1.800 . 5.000 4.756 4.332 5.024 0.024 13 0 "[ . 1 . 2]" 2
1141 1 68 TYR HB2 1 96 PHE QE 1.800 . 5.000 3.945 2.379 5.009 0.009 19 0 "[ . 1 . 2]" 2
1142 1 107 PRO QB 1 108 ASN H 1.800 . 5.000 3.954 3.822 4.014 . 0 0 "[ . 1 . 2]" 2
1143 1 40 PHE HB2 1 41 ARG H 1.800 . 5.000 4.207 4.091 4.315 . 0 0 "[ . 1 . 2]" 2
1144 1 72 GLY QA 1 73 SER H 1.800 . 5.000 2.889 2.858 2.905 . 0 0 "[ . 1 . 2]" 2
1145 1 18 VAL MG1 1 85 GLY HA2 1.800 . 5.000 4.509 4.040 5.006 0.006 2 0 "[ . 1 . 2]" 2
1146 1 28 PHE QD 1 30 GLY QA 1.800 . 5.000 2.510 2.014 3.061 . 0 0 "[ . 1 . 2]" 2
1147 1 33 TYR QB 1 34 ALA H 1.800 . 5.000 2.892 2.789 3.044 . 0 0 "[ . 1 . 2]" 2
1148 1 84 GLU QB 1 85 GLY HA3 1.800 . 5.000 3.736 3.689 3.840 . 0 0 "[ . 1 . 2]" 2
1149 1 95 PHE QD 1 97 LYS QE 1.800 . 5.000 4.677 4.022 5.007 0.007 8 0 "[ . 1 . 2]" 2
1150 1 43 PHE QE 1 76 ILE HB 1.800 . 4.200 2.810 2.606 3.084 . 0 0 "[ . 1 . 2]" 2
1151 1 33 TYR QB 1 35 VAL MG2 1.800 . 4.200 3.025 2.982 3.073 . 0 0 "[ . 1 . 2]" 2
1152 1 84 GLU QB 1 85 GLY HA2 1.800 . 4.200 4.276 4.216 4.304 0.104 5 0 "[ . 1 . 2]" 2
1153 1 66 TYR H 1 66 TYR HB3 1.800 . 4.200 3.923 3.840 3.945 . 0 0 "[ . 1 . 2]" 2
1154 1 88 TYR H 1 88 TYR HB3 1.800 . 4.200 3.687 3.642 3.724 . 0 0 "[ . 1 . 2]" 2
1155 1 56 ASP H 1 56 ASP HB3 1.800 . 4.200 3.689 3.606 3.971 . 0 0 "[ . 1 . 2]" 2
1156 1 29 LYS QE 1 105 VAL MG1 1.800 . 4.200 3.042 2.050 4.057 . 0 0 "[ . 1 . 2]" 2
1157 1 86 GLU H 1 86 GLU HB3 1.800 . 3.600 3.535 3.489 3.608 0.008 17 0 "[ . 1 . 2]" 2
1158 1 81 GLU H 1 81 GLU QG 1.800 . 3.600 2.617 2.089 3.267 . 0 0 "[ . 1 . 2]" 2
1159 1 109 TRP QB 1 109 TRP HE3 1.800 . 3.600 2.572 2.471 2.648 . 0 0 "[ . 1 . 2]" 2
1160 1 109 TRP QB 1 109 TRP HD1 1.800 . 3.600 2.610 2.560 2.690 . 0 0 "[ . 1 . 2]" 2
1161 1 77 GLY QA 1 78 SER H 1.800 . 3.600 2.858 2.829 2.899 . 0 0 "[ . 1 . 2]" 2
1162 1 65 ARG QD 1 65 ARG QG 1.800 . 3.200 1.945 1.938 1.951 . 0 0 "[ . 1 . 2]" 2
1163 1 74 ARG QD 1 74 ARG QG 1.800 . 3.200 2.058 2.003 2.091 . 0 0 "[ . 1 . 2]" 2
1164 1 111 VAL HA 1 112 ASN H 1.800 . 3.600 3.285 2.805 3.508 . 0 0 "[ . 1 . 2]" 2
1165 1 110 SER HA 1 111 VAL H 1.800 . 3.600 3.206 2.629 3.472 . 0 0 "[ . 1 . 2]" 2
1166 1 55 SER HB2 1 56 ASP H 1.800 . 3.600 3.318 3.053 3.455 . 0 0 "[ . 1 . 2]" 2
1167 1 78 SER HB2 1 79 MET H 1.800 . 3.600 3.003 2.742 3.551 . 0 0 "[ . 1 . 2]" 2
1168 1 13 LYS HA 1 13 LYS QG 1.800 . 3.600 2.846 2.106 3.407 . 0 0 "[ . 1 . 2]" 2
1169 1 44 ASP HA 1 45 ALA H 1.800 . 3.600 3.525 3.513 3.533 . 0 0 "[ . 1 . 2]" 2
1170 1 101 TYR HA 1 102 THR H 1.800 . 4.200 3.529 3.394 3.570 . 0 0 "[ . 1 . 2]" 2
1171 1 52 ARG HA 1 53 SER H 1.800 . 3.600 3.582 3.574 3.589 . 0 0 "[ . 1 . 2]" 2
1172 1 81 GLU HA 1 82 LEU H 1.800 . 4.200 3.400 3.384 3.412 . 0 0 "[ . 1 . 2]" 2
1173 1 55 SER HB3 1 56 ASP H 1.800 . 4.200 3.931 3.669 4.222 0.022 8 0 "[ . 1 . 2]" 2
1174 1 109 TRP HA 1 109 TRP HD1 1.800 . 4.200 4.106 3.942 4.227 0.027 5 0 "[ . 1 . 2]" 2
1175 1 91 SER QB 1 94 ASN QD 1.800 . 4.200 3.116 2.722 3.902 . 0 0 "[ . 1 . 2]" 2
1176 1 73 SER HA 1 74 ARG H 1.800 . 4.200 3.555 3.536 3.567 . 0 0 "[ . 1 . 2]" 2
1177 1 38 ASP HA 1 39 ARG H 1.800 . 4.200 3.485 3.448 3.534 . 0 0 "[ . 1 . 2]" 2
1178 1 58 ILE HA 1 59 ASN H 1.800 . 4.200 3.541 3.486 3.569 . 0 0 "[ . 1 . 2]" 2
1179 1 21 TYR QD 1 29 LYS HA 1.800 . 4.200 3.499 3.023 3.895 . 0 0 "[ . 1 . 2]" 2
1180 1 53 SER HB3 1 54 LEU HB2 1.800 . 4.200 4.003 3.872 4.175 . 0 0 "[ . 1 . 2]" 2
1181 1 53 SER HB3 1 54 LEU MD2 1.800 . 4.200 4.232 4.213 4.242 0.042 13 0 "[ . 1 . 2]" 2
1182 1 78 SER HB2 1 80 ASP H 1.800 . 4.200 2.597 2.353 2.915 . 0 0 "[ . 1 . 2]" 2
1183 1 48 ALA HA 1 51 THR HB 1.800 . 4.200 3.863 3.080 4.230 0.030 12 0 "[ . 1 . 2]" 2
1184 1 110 SER QB 1 111 VAL H 1.800 . 4.200 3.623 2.934 4.042 . 0 0 "[ . 1 . 2]" 2
1185 1 78 SER HA 1 79 MET HB2 1.800 . 4.200 4.185 4.153 4.202 0.002 3 0 "[ . 1 . 2]" 2
1186 1 15 ALA HA 1 16 LYS QG 1.800 . 4.200 3.545 3.065 4.103 . 0 0 "[ . 1 . 2]" 2
1187 1 99 VAL MG2 1 101 TYR HA 1.800 . 4.200 4.064 3.493 4.223 0.023 19 0 "[ . 1 . 2]" 2
1188 1 103 LYS HA 1 104 ASN HA 1.800 . 4.200 4.299 4.269 4.362 0.162 4 0 "[ . 1 . 2]" 2
1189 1 76 ILE HA 1 77 GLY QA 1.800 . 4.200 3.891 3.887 3.903 . 0 0 "[ . 1 . 2]" 2
1190 1 16 LYS QD 1 83 GLU HA 1.800 . 5.000 3.064 2.044 4.133 . 0 0 "[ . 1 . 2]" 2
1191 1 84 GLU HA 1 85 GLY HA3 1.800 . 5.000 4.597 4.573 4.626 . 0 0 "[ . 1 . 2]" 2
1192 1 15 ALA HA 1 16 LYS QB 1.800 . 5.000 4.423 4.160 4.670 . 0 0 "[ . 1 . 2]" 2
1193 1 49 ASP HA 1 51 THR H 1.800 . 5.000 4.247 4.055 4.473 . 0 0 "[ . 1 . 2]" 2
1194 1 50 LEU HA 1 52 ARG H 1.800 . 5.000 4.229 4.133 4.407 . 0 0 "[ . 1 . 2]" 2
1195 1 37 SER HA 1 40 PHE QB 1.800 . 5.000 4.555 4.313 4.793 . 0 0 "[ . 1 . 2]" 2
1196 1 17 LYS QD 1 34 ALA HA 1.800 . 5.000 4.042 2.767 4.986 . 0 0 "[ . 1 . 2]" 2
1197 1 44 ASP QB 1 45 ALA HA 1.800 . 5.000 3.885 3.815 4.024 . 0 0 "[ . 1 . 2]" 2
1198 1 20 PHE HA 1 21 TYR HB2 1.800 . 5.000 4.618 4.577 4.655 . 0 0 "[ . 1 . 2]" 2
1199 1 76 ILE HA 1 76 ILE QG 1.800 . 5.000 2.774 2.734 2.819 . 0 0 "[ . 1 . 2]" 2
1200 1 52 ARG H 1 52 ARG QB 1.800 . 3.200 2.192 2.036 2.416 . 0 0 "[ . 1 . 2]" 2
1201 1 50 LEU HA 1 53 SER H 1.800 . 3.200 3.281 3.264 3.294 0.094 4 0 "[ . 1 . 2]" 2
1202 1 61 PRO HB3 1 62 GLN H 1.800 . 3.200 3.277 3.269 3.291 0.091 11 0 "[ . 1 . 2]" 2
1203 1 54 LEU H 1 54 LEU HB3 1.800 . 3.200 3.341 3.317 3.355 0.155 1 0 "[ . 1 . 2]" 2
1204 1 55 SER QB 1 56 ASP H 1.800 . 3.200 3.146 2.963 3.241 0.041 11 0 "[ . 1 . 2]" 2
1205 1 31 ILE H 1 31 ILE HB 1.800 . 3.600 3.179 3.134 3.212 . 0 0 "[ . 1 . 2]" 2
1206 1 67 ILE HA 1 91 SER H 1.800 . 3.600 3.277 3.147 3.383 . 0 0 "[ . 1 . 2]" 2
1207 1 64 VAL HA 1 66 TYR H 1.800 . 3.600 3.656 3.616 3.689 0.089 9 0 "[ . 1 . 2]" 2
1208 1 19 ARG QG 1 20 PHE H 1.800 . 4.200 3.521 3.204 3.974 . 0 0 "[ . 1 . 2]" 2
1209 1 74 ARG H 1 75 LYS H 1.800 . 4.200 4.325 4.299 4.345 0.145 17 0 "[ . 1 . 2]" 2
1210 1 48 ALA HA 1 49 ASP H 1.800 . 4.200 3.540 3.535 3.547 . 0 0 "[ . 1 . 2]" 2
1211 1 33 TYR H 1 34 ALA H 1.800 . 4.200 4.341 4.318 4.355 0.155 11 0 "[ . 1 . 2]" 2
1212 1 43 PHE HA 1 47 LEU H 1.800 . 4.200 3.840 3.655 4.044 . 0 0 "[ . 1 . 2]" 2
1213 1 31 ILE H 1 54 LEU MD1 1.800 . 4.200 3.917 3.528 4.183 . 0 0 "[ . 1 . 2]" 2
1214 1 56 ASP H 1 60 LEU QB 1.800 . 4.200 3.403 2.403 3.723 . 0 0 "[ . 1 . 2]" 2
1215 1 36 SER H 1 40 PHE QB 1.800 . 4.200 3.668 3.301 4.035 . 0 0 "[ . 1 . 2]" 2
1216 1 93 ASP H 1 94 ASN QB 1.800 . 4.200 4.034 3.663 4.259 0.059 15 0 "[ . 1 . 2]" 2
1217 1 63 GLY H 1 64 VAL H 1.800 . 4.200 4.125 3.095 4.360 0.160 16 0 "[ . 1 . 2]" 2
1218 1 35 VAL H 1 36 SER H 1.800 . 4.200 4.291 4.232 4.359 0.159 20 0 "[ . 1 . 2]" 2
1219 1 25 ASP H 1 26 ARG QB 1.800 . 4.200 4.021 3.656 4.258 0.058 7 0 "[ . 1 . 2]" 2
1220 1 70 ILE MD 1 88 TYR H 1.800 . 4.200 4.219 4.205 4.231 0.031 3 0 "[ . 1 . 2]" 2
1221 1 16 LYS QB 1 85 GLY H 1.800 . 5.000 4.514 3.969 5.007 0.007 8 0 "[ . 1 . 2]" 2
1222 1 12 GLU QB 1 13 LYS H 1.800 . 5.000 3.395 1.948 4.032 . 0 0 "[ . 1 . 2]" 2
1223 1 60 LEU HA 1 62 GLN H 1.800 . 5.000 4.481 4.367 4.636 . 0 0 "[ . 1 . 2]" 2
1224 1 66 TYR H 1 67 ILE H 1.800 . 5.000 4.411 4.351 4.424 . 0 0 "[ . 1 . 2]" 2
1225 1 60 LEU QB 1 62 GLN H 1.800 . 5.000 4.274 3.905 4.626 . 0 0 "[ . 1 . 2]" 2
1226 1 55 SER H 1 56 ASP H 1.800 . 5.000 4.515 4.460 4.589 . 0 0 "[ . 1 . 2]" 2
1227 1 76 ILE H 1 88 TYR QE 1.800 . 5.000 4.567 4.268 4.808 . 0 0 "[ . 1 . 2]" 2
1228 1 70 ILE HA 1 89 VAL H 1.800 . 5.000 4.459 4.188 4.645 . 0 0 "[ . 1 . 2]" 2
1229 1 18 VAL H 1 19 ARG HA 1.800 . 5.000 4.869 4.840 4.917 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 275
_Distance_constraint_stats_list.Viol_total 167.536
_Distance_constraint_stats_list.Viol_max 0.102
_Distance_constraint_stats_list.Viol_rms 0.0200
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0305
_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 16 LYS 0.163 0.019 1 0 "[ . 1 . 2]"
1 17 LYS 1.393 0.101 5 0 "[ . 1 . 2]"
1 18 VAL 0.581 0.048 15 0 "[ . 1 . 2]"
1 19 ARG 0.492 0.042 3 0 "[ . 1 . 2]"
1 20 PHE 0.519 0.084 19 0 "[ . 1 . 2]"
1 21 TYR 1.917 0.102 11 0 "[ . 1 . 2]"
1 23 ASN 0.576 0.062 7 0 "[ . 1 . 2]"
1 31 ILE 0.519 0.084 19 0 "[ . 1 . 2]"
1 33 TYR 0.581 0.048 15 0 "[ . 1 . 2]"
1 35 VAL 0.163 0.019 1 0 "[ . 1 . 2]"
1 66 TYR 0.283 0.043 18 0 "[ . 1 . 2]"
1 67 ILE 0.832 0.062 20 0 "[ . 1 . 2]"
1 68 TYR 1.044 0.069 10 0 "[ . 1 . 2]"
1 69 THR 0.577 0.040 15 0 "[ . 1 . 2]"
1 74 ARG 0.577 0.040 15 0 "[ . 1 . 2]"
1 76 ILE 0.832 0.062 20 0 "[ . 1 . 2]"
1 86 GLU 1.885 0.101 5 0 "[ . 1 . 2]"
1 88 TYR 0.098 0.023 19 0 "[ . 1 . 2]"
1 89 VAL 1.044 0.069 10 0 "[ . 1 . 2]"
1 90 CYS 2.395 0.102 11 0 "[ . 1 . 2]"
1 91 SER 0.283 0.043 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 LYS O 1 86 GLU N 2.700 2.700 3.200 3.118 3.089 3.162 . 0 0 "[ . 1 . 2]" 3
2 1 17 LYS O 1 86 GLU H 1.800 . 2.200 2.270 2.230 2.301 0.101 5 0 "[ . 1 . 2]" 3
3 1 18 VAL N 1 33 TYR O 2.700 2.700 3.200 3.174 3.157 3.197 . 0 0 "[ . 1 . 2]" 3
4 1 18 VAL H 1 33 TYR O 1.800 . 2.200 2.229 2.212 2.248 0.048 15 0 "[ . 1 . 2]" 3
5 1 18 VAL O 1 33 TYR N 2.700 2.700 3.200 3.063 2.962 3.136 . 0 0 "[ . 1 . 2]" 3
6 1 18 VAL O 1 33 TYR H 1.800 . 2.200 2.134 2.039 2.204 0.004 6 0 "[ . 1 . 2]" 3
7 1 19 ARG N 1 86 GLU O 2.700 2.700 3.200 2.718 2.690 2.763 0.010 1 0 "[ . 1 . 2]" 3
8 1 19 ARG H 1 86 GLU O 1.800 . 2.200 1.777 1.758 1.806 0.042 3 0 "[ . 1 . 2]" 3
9 1 19 ARG O 1 88 TYR N 2.700 2.700 3.200 3.036 2.931 3.138 . 0 0 "[ . 1 . 2]" 3
10 1 19 ARG O 1 88 TYR H 1.800 . 2.200 2.104 1.970 2.183 . 0 0 "[ . 1 . 2]" 3
11 1 20 PHE N 1 31 ILE O 2.700 2.700 3.200 2.824 2.708 2.932 . 0 0 "[ . 1 . 2]" 3
12 1 20 PHE H 1 31 ILE O 1.800 . 2.200 1.952 1.793 2.087 0.007 2 0 "[ . 1 . 2]" 3
13 1 20 PHE O 1 31 ILE N 2.700 2.700 3.200 2.690 2.616 2.795 0.084 19 0 "[ . 1 . 2]" 3
14 1 20 PHE O 1 31 ILE H 1.800 . 2.200 1.865 1.795 1.987 0.005 19 0 "[ . 1 . 2]" 3
15 1 21 TYR N 1 88 TYR O 2.700 2.700 3.200 2.752 2.708 2.933 . 0 0 "[ . 1 . 2]" 3
16 1 21 TYR H 1 88 TYR O 1.800 . 2.200 1.829 1.777 2.044 0.023 19 0 "[ . 1 . 2]" 3
17 1 21 TYR O 1 90 CYS N 2.700 2.700 3.200 2.641 2.598 2.679 0.102 11 0 "[ . 1 . 2]" 3
18 1 21 TYR O 1 90 CYS H 1.800 . 2.200 1.768 1.732 1.800 0.068 2 0 "[ . 1 . 2]" 3
19 1 23 ASN N 1 90 CYS O 2.700 2.700 3.200 3.099 3.051 3.157 . 0 0 "[ . 1 . 2]" 3
20 1 23 ASN H 1 90 CYS O 1.800 . 2.200 2.229 2.199 2.262 0.062 7 0 "[ . 1 . 2]" 3
21 1 66 TYR N 1 91 SER O 2.700 2.700 3.200 2.768 2.695 2.986 0.005 11 0 "[ . 1 . 2]" 3
22 1 66 TYR H 1 91 SER O 1.800 . 2.200 1.882 1.787 2.082 0.013 12 0 "[ . 1 . 2]" 3
23 1 66 TYR O 1 91 SER N 2.700 2.700 3.200 2.764 2.696 2.811 0.004 18 0 "[ . 1 . 2]" 3
24 1 66 TYR O 1 91 SER H 1.800 . 2.200 1.793 1.757 1.829 0.043 18 0 "[ . 1 . 2]" 3
25 1 68 TYR N 1 89 VAL O 2.700 2.700 3.200 2.703 2.673 2.731 0.027 11 0 "[ . 1 . 2]" 3
26 1 68 TYR H 1 89 VAL O 1.800 . 2.200 1.752 1.731 1.775 0.069 10 0 "[ . 1 . 2]" 3
27 1 68 TYR O 1 89 VAL N 2.700 2.700 3.200 2.997 2.841 3.172 . 0 0 "[ . 1 . 2]" 3
28 1 68 TYR O 1 89 VAL H 1.800 . 2.200 2.029 1.867 2.203 0.003 17 0 "[ . 1 . 2]" 3
29 1 69 THR N 1 74 ARG O 2.700 2.700 3.200 3.061 2.977 3.112 . 0 0 "[ . 1 . 2]" 3
30 1 69 THR H 1 74 ARG O 1.800 . 2.200 2.229 2.198 2.240 0.040 15 0 "[ . 1 . 2]" 3
31 1 67 ILE O 1 76 ILE N 2.700 2.700 3.200 2.675 2.638 2.697 0.062 20 0 "[ . 1 . 2]" 3
32 1 67 ILE O 1 76 ILE H 1.800 . 2.200 1.787 1.762 1.853 0.038 18 0 "[ . 1 . 2]" 3
33 1 16 LYS N 1 35 VAL O 2.700 2.700 3.200 2.777 2.694 3.037 0.006 14 0 "[ . 1 . 2]" 3
34 1 16 LYS H 1 35 VAL O 1.800 . 2.200 2.034 1.786 2.203 0.014 13 0 "[ . 1 . 2]" 3
35 1 16 LYS O 1 35 VAL N 2.700 2.700 3.200 3.003 2.830 3.116 . 0 0 "[ . 1 . 2]" 3
36 1 16 LYS O 1 35 VAL H 1.800 . 2.200 2.130 1.889 2.219 0.019 1 0 "[ . 1 . 2]" 3
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