NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426869 |
2hgc   |
7260 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hgc
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 652
_Distance_constraint_stats_list.Viol_count 543
_Distance_constraint_stats_list.Viol_total 156.027
_Distance_constraint_stats_list.Viol_max 0.094
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0144
_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 6 LEU 0.176 0.022 3 0 "[ . 1 . 2]"
1 7 ARG 0.106 0.023 7 0 "[ . 1 . 2]"
1 8 TYR 0.291 0.048 10 0 "[ . 1 . 2]"
1 9 ALA 0.260 0.048 10 0 "[ . 1 . 2]"
1 10 ILE 0.128 0.031 13 0 "[ . 1 . 2]"
1 11 LEU 0.284 0.038 1 0 "[ . 1 . 2]"
1 12 LYS 0.192 0.038 19 0 "[ . 1 . 2]"
1 13 GLU 0.081 0.031 4 0 "[ . 1 . 2]"
1 14 ILE 0.110 0.031 4 0 "[ . 1 . 2]"
1 15 PHE 0.195 0.023 17 0 "[ . 1 . 2]"
1 16 GLU 0.173 0.038 19 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.083 0.031 18 0 "[ . 1 . 2]"
1 19 THR 0.223 0.031 18 0 "[ . 1 . 2]"
1 20 PRO 0.553 0.045 7 0 "[ . 1 . 2]"
1 21 LEU 0.245 0.029 6 0 "[ . 1 . 2]"
1 22 SER 0.222 0.061 1 0 "[ . 1 . 2]"
1 23 GLU 0.560 0.061 1 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.018 0.018 5 0 "[ . 1 . 2]"
1 26 ILE 0.335 0.031 13 0 "[ . 1 . 2]"
1 27 GLY 0.061 0.018 10 0 "[ . 1 . 2]"
1 28 VAL 0.197 0.021 4 0 "[ . 1 . 2]"
1 29 THR 0.735 0.070 7 0 "[ . 1 . 2]"
1 30 GLU 1.164 0.094 6 0 "[ . 1 . 2]"
1 31 ASP 0.728 0.094 6 0 "[ . 1 . 2]"
1 32 GLN 0.353 0.081 14 0 "[ . 1 . 2]"
1 33 PHE 0.142 0.021 14 0 "[ . 1 . 2]"
1 34 ASP 0.014 0.008 20 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 0.196 0.041 19 0 "[ . 1 . 2]"
1 37 VAL 0.009 0.006 20 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 0.253 0.024 11 0 "[ . 1 . 2]"
1 40 LEU 0.268 0.031 5 0 "[ . 1 . 2]"
1 41 LYS 0.141 0.049 11 0 "[ . 1 . 2]"
1 42 ARG 0.054 0.018 5 0 "[ . 1 . 2]"
1 43 GLU 0.016 0.006 20 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TYR 0.076 0.014 6 0 "[ . 1 . 2]"
1 46 ILE 0.416 0.049 11 0 "[ . 1 . 2]"
1 47 ILE 0.022 0.009 10 0 "[ . 1 . 2]"
1 48 GLY 0.031 0.009 16 0 "[ . 1 . 2]"
1 49 VAL 0.138 0.023 11 0 "[ . 1 . 2]"
1 50 HIS 0.094 0.031 20 0 "[ . 1 . 2]"
1 51 TYR 0.043 0.018 16 0 "[ . 1 . 2]"
1 52 SER 0.633 0.068 14 0 "[ . 1 . 2]"
1 53 ASP 0.160 0.029 20 0 "[ . 1 . 2]"
1 54 ASP 0.489 0.083 14 0 "[ . 1 . 2]"
1 55 ARG 0.796 0.083 14 0 "[ . 1 . 2]"
1 56 PRO 0.229 0.031 3 0 "[ . 1 . 2]"
1 57 HIS 0.174 0.031 20 0 "[ . 1 . 2]"
1 58 LEU 0.614 0.045 7 0 "[ . 1 . 2]"
1 59 TYR 0.053 0.023 2 0 "[ . 1 . 2]"
1 60 LYS 0.106 0.029 16 0 "[ . 1 . 2]"
1 61 LEU 0.025 0.011 6 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PRO 0.024 0.008 4 0 "[ . 1 . 2]"
1 64 GLU 0.038 0.009 16 0 "[ . 1 . 2]"
1 65 LEU 0.374 0.038 1 0 "[ . 1 . 2]"
1 66 THR 0.143 0.017 1 0 "[ . 1 . 2]"
1 67 GLU 0.161 0.027 9 0 "[ . 1 . 2]"
1 68 LYS 0.074 0.017 1 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.275 0.027 9 0 "[ . 1 . 2]"
1 71 ASN 0.095 0.024 7 0 "[ . 1 . 2]"
1 72 TYR 0.161 0.029 10 0 "[ . 1 . 2]"
1 73 LEU 0.204 0.023 17 0 "[ . 1 . 2]"
1 74 LYS 0.006 0.003 4 0 "[ . 1 . 2]"
1 75 GLU 0.132 0.037 20 0 "[ . 1 . 2]"
1 76 ASN 0.342 0.088 16 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 THR 0.249 0.039 6 0 "[ . 1 . 2]"
1 79 TRP 0.581 0.088 16 0 "[ . 1 . 2]"
1 80 SER 0.079 0.039 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 6 LEU HA 1 7 ARG H 4.000 . 5.000 3.392 3.154 3.504 . 0 0 "[ . 1 . 2]" 1
2 1 6 LEU HA 1 7 ARG HA 4.000 . 5.000 4.829 4.735 4.921 . 0 0 "[ . 1 . 2]" 1
3 1 6 LEU HA 1 10 ILE H 4.000 . 5.000 4.261 3.218 4.691 . 0 0 "[ . 1 . 2]" 1
4 1 6 LEU QB 1 10 ILE MD 4.000 . 5.000 3.223 2.162 4.622 . 0 0 "[ . 1 . 2]" 1
5 1 6 LEU HG 1 28 VAL MG1 4.000 . 5.000 2.977 1.790 4.724 0.010 11 0 "[ . 1 . 2]" 1
6 1 6 LEU MD1 1 9 ALA MB 4.000 . 5.000 2.922 2.381 3.505 . 0 0 "[ . 1 . 2]" 1
7 1 6 LEU MD1 1 10 ILE QG 4.000 . 5.000 4.153 2.449 4.862 . 0 0 "[ . 1 . 2]" 1
8 1 6 LEU MD1 1 10 ILE MD 4.000 . 5.000 4.498 2.551 5.019 0.019 5 0 "[ . 1 . 2]" 1
9 1 6 LEU MD1 1 26 ILE MD 4.000 . 5.000 3.953 2.383 5.022 0.022 3 0 "[ . 1 . 2]" 1
10 1 6 LEU MD1 1 79 TRP HE1 4.000 . 5.000 4.532 2.654 5.017 0.017 17 0 "[ . 1 . 2]" 1
11 1 7 ARG HA 1 8 TYR H 4.000 . 5.000 3.509 3.373 3.591 . 0 0 "[ . 1 . 2]" 1
12 1 7 ARG HA 1 10 ILE H 4.000 . 5.000 3.617 3.137 4.036 . 0 0 "[ . 1 . 2]" 1
13 1 7 ARG QB 1 40 LEU MD2 4.000 . 5.000 2.542 1.777 3.868 0.023 7 0 "[ . 1 . 2]" 1
14 1 7 ARG HE 1 36 ALA MB 4.000 . 5.000 4.469 3.352 5.013 0.013 10 0 "[ . 1 . 2]" 1
15 1 7 ARG HE 1 39 PHE QB 4.000 . 5.000 4.310 2.537 5.009 0.009 10 0 "[ . 1 . 2]" 1
16 1 7 ARG HE 1 39 PHE QE 4.000 . 5.000 4.081 2.912 5.003 0.003 13 0 "[ . 1 . 2]" 1
17 1 8 TYR H 1 9 ALA H 4.000 . 5.000 2.656 2.170 2.893 . 0 0 "[ . 1 . 2]" 1
18 1 8 TYR HA 1 11 LEU H 4.000 . 5.000 3.621 3.182 4.114 . 0 0 "[ . 1 . 2]" 1
19 1 8 TYR QB 1 72 TYR QE 4.000 . 5.000 3.022 1.795 4.696 0.005 13 0 "[ . 1 . 2]" 1
20 1 8 TYR QB 1 79 TRP HE3 4.000 . 5.000 4.305 2.506 5.010 0.010 8 0 "[ . 1 . 2]" 1
21 1 8 TYR QD 1 9 ALA MB 4.000 . 5.000 3.644 3.069 4.045 . 0 0 "[ . 1 . 2]" 1
22 1 8 TYR QD 1 11 LEU QB 4.000 . 5.000 3.943 3.347 4.851 . 0 0 "[ . 1 . 2]" 1
23 1 8 TYR QD 1 73 LEU MD2 4.000 . 5.000 2.698 1.910 4.313 . 0 0 "[ . 1 . 2]" 1
24 1 8 TYR QD 1 76 ASN QB 4.000 . 5.000 3.029 2.072 3.855 . 0 0 "[ . 1 . 2]" 1
25 1 8 TYR QD 1 76 ASN QD 4.000 . 5.000 3.298 2.134 4.677 . 0 0 "[ . 1 . 2]" 1
26 1 8 TYR QD 1 79 TRP QB 4.000 . 5.000 3.457 2.322 5.006 0.006 6 0 "[ . 1 . 2]" 1
27 1 8 TYR QE 1 9 ALA MB 4.000 . 5.000 4.853 3.744 5.048 0.048 10 0 "[ . 1 . 2]" 1
28 1 8 TYR QE 1 73 LEU QB 4.000 . 5.000 3.387 2.415 5.020 0.020 6 0 "[ . 1 . 2]" 1
29 1 8 TYR QE 1 73 LEU MD2 4.000 . 5.000 2.735 1.932 3.972 . 0 0 "[ . 1 . 2]" 1
30 1 8 TYR QE 1 76 ASN QB 4.000 . 5.000 3.650 2.537 5.022 0.022 15 0 "[ . 1 . 2]" 1
31 1 8 TYR QE 1 79 TRP HE3 4.000 . 5.000 3.030 1.967 5.007 0.007 20 0 "[ . 1 . 2]" 1
32 1 9 ALA H 1 10 ILE H 4.000 . 5.000 2.692 2.453 2.816 . 0 0 "[ . 1 . 2]" 1
33 1 9 ALA MB 1 12 LYS QE 4.000 . 5.000 4.190 3.098 5.011 0.011 7 0 "[ . 1 . 2]" 1
34 1 9 ALA MB 1 26 ILE MD 4.000 . 5.000 3.215 1.965 4.815 . 0 0 "[ . 1 . 2]" 1
35 1 9 ALA MB 1 79 TRP HE3 4.000 . 5.000 4.268 2.821 5.028 0.028 1 0 "[ . 1 . 2]" 1
36 1 10 ILE H 1 11 LEU H 3.000 . 3.500 2.727 2.578 2.880 . 0 0 "[ . 1 . 2]" 1
37 1 10 ILE HA 1 11 LEU H 4.000 . 5.000 3.548 3.495 3.575 . 0 0 "[ . 1 . 2]" 1
38 1 10 ILE HA 1 14 ILE H 4.000 . 5.000 4.162 3.815 4.567 . 0 0 "[ . 1 . 2]" 1
39 1 10 ILE HB 1 36 ALA MB 4.000 . 5.000 3.865 3.138 4.999 . 0 0 "[ . 1 . 2]" 1
40 1 10 ILE HB 1 40 LEU MD1 4.000 . 5.000 2.946 2.249 3.445 . 0 0 "[ . 1 . 2]" 1
41 1 10 ILE QG 1 26 ILE HG12 4.000 . 5.000 3.905 2.185 5.031 0.031 13 0 "[ . 1 . 2]" 1
42 1 10 ILE QG 1 26 ILE HG13 4.000 . 5.000 3.280 2.040 4.475 . 0 0 "[ . 1 . 2]" 1
43 1 10 ILE HG12 1 26 ILE MD 4.000 . 5.000 2.496 1.811 3.636 . 0 0 "[ . 1 . 2]" 1
44 1 10 ILE HG13 1 26 ILE MD 4.000 . 5.000 3.305 2.724 4.546 . 0 0 "[ . 1 . 2]" 1
45 1 10 ILE QG 1 28 VAL MG1 4.000 . 5.000 3.774 2.801 4.617 . 0 0 "[ . 1 . 2]" 1
46 1 10 ILE QG 1 36 ALA MB 4.000 . 5.000 3.588 1.834 4.972 . 0 0 "[ . 1 . 2]" 1
47 1 10 ILE QG 1 40 LEU MD1 4.000 . 5.000 4.270 3.123 4.889 . 0 0 "[ . 1 . 2]" 1
48 1 10 ILE MG 1 14 ILE QG 4.000 . 5.000 2.640 2.105 3.150 . 0 0 "[ . 1 . 2]" 1
49 1 10 ILE MG 1 14 ILE MD 4.000 . 5.000 2.230 2.058 2.429 . 0 0 "[ . 1 . 2]" 1
50 1 10 ILE MG 1 21 LEU MD2 4.000 . 5.000 3.452 1.906 4.779 . 0 0 "[ . 1 . 2]" 1
51 1 10 ILE MG 1 26 ILE MG 4.000 . 5.000 3.938 3.041 4.557 . 0 0 "[ . 1 . 2]" 1
52 1 10 ILE MG 1 28 VAL MG2 4.000 . 5.000 4.476 3.657 5.016 0.016 2 0 "[ . 1 . 2]" 1
53 1 10 ILE MG 1 33 PHE QE 4.000 . 5.000 2.995 2.232 3.950 . 0 0 "[ . 1 . 2]" 1
54 1 10 ILE MG 1 36 ALA MB 4.000 . 5.000 3.339 2.591 4.751 . 0 0 "[ . 1 . 2]" 1
55 1 10 ILE MG 1 37 VAL MG2 4.000 . 5.000 2.991 2.131 4.111 . 0 0 "[ . 1 . 2]" 1
56 1 10 ILE MG 1 58 LEU MD1 4.000 . 5.000 3.886 3.040 4.391 . 0 0 "[ . 1 . 2]" 1
57 1 10 ILE MD 1 26 ILE MD 4.000 . 5.000 3.019 2.190 3.939 . 0 0 "[ . 1 . 2]" 1
58 1 10 ILE MD 1 28 VAL MG2 4.000 . 5.000 2.747 2.038 3.779 . 0 0 "[ . 1 . 2]" 1
59 1 10 ILE MD 1 33 PHE QD 4.000 . 5.000 3.063 2.223 4.143 . 0 0 "[ . 1 . 2]" 1
60 1 10 ILE MD 1 33 PHE QE 4.000 . 5.000 3.705 2.464 5.008 0.008 3 0 "[ . 1 . 2]" 1
61 1 10 ILE MD 1 36 ALA MB 4.000 . 5.000 2.246 1.792 3.239 0.008 4 0 "[ . 1 . 2]" 1
62 1 10 ILE MD 1 37 VAL MG2 4.000 . 5.000 3.493 2.514 4.688 . 0 0 "[ . 1 . 2]" 1
63 1 11 LEU H 1 12 LYS H 4.000 . 5.000 2.761 2.514 2.922 . 0 0 "[ . 1 . 2]" 1
64 1 11 LEU HA 1 12 LYS H 4.000 . 5.000 3.542 3.480 3.586 . 0 0 "[ . 1 . 2]" 1
65 1 11 LEU HA 1 14 ILE H 4.000 . 5.000 3.575 3.247 3.783 . 0 0 "[ . 1 . 2]" 1
66 1 11 LEU HA 1 14 ILE HB 4.000 . 5.000 2.829 2.395 3.187 . 0 0 "[ . 1 . 2]" 1
67 1 11 LEU HA 1 15 PHE H 4.000 . 5.000 4.182 3.850 4.606 . 0 0 "[ . 1 . 2]" 1
68 1 11 LEU QB 1 40 LEU MD2 4.000 . 5.000 4.370 3.574 5.010 0.010 12 0 "[ . 1 . 2]" 1
69 1 11 LEU HB2 1 65 LEU MD2 4.000 . 5.000 4.353 3.837 4.962 . 0 0 "[ . 1 . 2]" 1
70 1 11 LEU HB3 1 65 LEU MD2 4.000 . 5.000 2.965 2.392 4.368 . 0 0 "[ . 1 . 2]" 1
71 1 11 LEU HB2 1 73 LEU MD1 4.000 . 5.000 4.357 3.355 5.015 0.015 3 0 "[ . 1 . 2]" 1
72 1 11 LEU HB2 1 73 LEU MD2 4.000 . 5.000 2.453 1.793 3.723 0.007 18 0 "[ . 1 . 2]" 1
73 1 11 LEU HB3 1 73 LEU MD1 4.000 . 5.000 3.307 2.058 3.966 . 0 0 "[ . 1 . 2]" 1
74 1 11 LEU HB3 1 73 LEU MD2 4.000 . 5.000 2.058 1.783 2.404 0.017 1 0 "[ . 1 . 2]" 1
75 1 11 LEU HG 1 14 ILE MD 4.000 . 5.000 4.264 3.122 4.896 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU HG 1 40 LEU MD2 4.000 . 5.000 3.271 2.367 5.010 0.010 3 0 "[ . 1 . 2]" 1
77 1 11 LEU HG 1 65 LEU MD2 4.000 . 5.000 4.494 2.362 5.038 0.038 1 0 "[ . 1 . 2]" 1
78 1 11 LEU MD1 1 40 LEU MD2 4.000 . 5.000 2.274 1.799 2.878 0.001 9 0 "[ . 1 . 2]" 1
79 1 11 LEU MD1 1 45 TYR HB2 4.000 . 5.000 3.590 3.110 4.235 . 0 0 "[ . 1 . 2]" 1
80 1 11 LEU MD1 1 45 TYR HB3 4.000 . 5.000 2.818 2.224 3.533 . 0 0 "[ . 1 . 2]" 1
81 1 11 LEU MD2 1 45 TYR HB2 4.000 . 5.000 3.274 2.752 4.613 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU MD2 1 45 TYR HB3 4.000 . 5.000 2.548 2.052 3.429 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU MD1 1 45 TYR QD 4.000 . 5.000 3.314 2.584 4.379 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU MD2 1 45 TYR QD 4.000 . 5.000 3.787 3.183 4.388 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU MD2 1 65 LEU HG 4.000 . 5.000 3.364 2.856 4.379 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU MD2 1 65 LEU MD1 4.000 . 5.000 4.070 2.337 5.005 0.005 3 0 "[ . 1 . 2]" 1
87 1 11 LEU MD1 1 72 TYR QB 4.000 . 5.000 3.583 2.712 5.016 0.016 9 0 "[ . 1 . 2]" 1
88 1 11 LEU MD1 1 72 TYR QD 4.000 . 5.000 2.801 2.049 4.401 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU MD2 1 72 TYR QD 4.000 . 5.000 4.280 2.006 5.011 0.011 18 0 "[ . 1 . 2]" 1
90 1 11 LEU MD1 1 72 TYR QE 4.000 . 5.000 3.539 2.292 5.011 0.011 3 0 "[ . 1 . 2]" 1
91 1 11 LEU MD1 1 73 LEU MD2 4.000 . 5.000 3.036 2.434 4.141 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU MD2 1 73 LEU MD1 4.000 . 5.000 3.976 2.554 5.005 0.005 10 0 "[ . 1 . 2]" 1
93 1 12 LYS HA 1 15 PHE H 4.000 . 5.000 3.276 3.016 3.695 . 0 0 "[ . 1 . 2]" 1
94 1 12 LYS HA 1 16 GLU H 4.000 . 5.000 3.861 3.340 4.339 . 0 0 "[ . 1 . 2]" 1
95 1 12 LYS QB 1 16 GLU HG2 4.000 . 5.000 4.696 3.638 5.038 0.038 19 0 "[ . 1 . 2]" 1
96 1 12 LYS QE 1 13 GLU HA 4.000 . 5.000 4.272 2.682 5.017 0.017 5 0 "[ . 1 . 2]" 1
97 1 13 GLU H 1 14 ILE H 4.000 . 5.000 2.593 2.355 2.771 . 0 0 "[ . 1 . 2]" 1
98 1 13 GLU H 1 15 PHE H 4.000 . 5.000 4.030 3.628 4.275 . 0 0 "[ . 1 . 2]" 1
99 1 13 GLU HA 1 14 ILE H 4.000 . 5.000 3.512 3.468 3.543 . 0 0 "[ . 1 . 2]" 1
100 1 13 GLU HA 1 16 GLU H 4.000 . 5.000 3.536 2.927 4.083 . 0 0 "[ . 1 . 2]" 1
101 1 13 GLU HA 1 17 GLY H 4.000 . 5.000 3.498 2.842 3.920 . 0 0 "[ . 1 . 2]" 1
102 1 13 GLU QB 1 14 ILE MD 4.000 . 5.000 4.754 4.390 5.031 0.031 4 0 "[ . 1 . 2]" 1
103 1 13 GLU HB2 1 21 LEU MD1 4.000 . 5.000 2.929 2.033 4.179 . 0 0 "[ . 1 . 2]" 1
104 1 13 GLU HB2 1 21 LEU MD2 4.000 . 5.000 4.081 2.072 5.020 0.020 6 0 "[ . 1 . 2]" 1
105 1 13 GLU HB3 1 21 LEU MD1 4.000 . 5.000 2.422 1.852 3.362 . 0 0 "[ . 1 . 2]" 1
106 1 13 GLU HB3 1 21 LEU MD2 4.000 . 5.000 3.767 2.347 4.830 . 0 0 "[ . 1 . 2]" 1
107 1 14 ILE H 1 15 PHE H 4.000 . 5.000 2.580 2.446 2.733 . 0 0 "[ . 1 . 2]" 1
108 1 14 ILE HA 1 15 PHE H 4.000 . 5.000 3.523 3.448 3.548 . 0 0 "[ . 1 . 2]" 1
109 1 14 ILE HA 1 17 GLY H 4.000 . 5.000 3.812 3.481 4.285 . 0 0 "[ . 1 . 2]" 1
110 1 14 ILE HA 1 18 ASN H 4.000 . 5.000 3.794 3.477 4.418 . 0 0 "[ . 1 . 2]" 1
111 1 14 ILE HB 1 15 PHE QB 4.000 . 5.000 3.963 3.834 4.156 . 0 0 "[ . 1 . 2]" 1
112 1 14 ILE HB 1 65 LEU MD1 4.000 . 5.000 3.286 2.612 3.898 . 0 0 "[ . 1 . 2]" 1
113 1 14 ILE HG12 1 19 THR MG 4.000 . 5.000 2.740 2.040 3.743 . 0 0 "[ . 1 . 2]" 1
114 1 14 ILE HG13 1 19 THR MG 4.000 . 5.000 4.090 3.380 5.016 0.016 14 0 "[ . 1 . 2]" 1
115 1 14 ILE QG 1 21 LEU QB 4.000 . 5.000 4.319 2.589 5.009 0.009 4 0 "[ . 1 . 2]" 1
116 1 14 ILE HG12 1 21 LEU MD2 4.000 . 5.000 2.321 1.790 3.551 0.010 13 0 "[ . 1 . 2]" 1
117 1 14 ILE HG13 1 21 LEU MD2 4.000 . 5.000 2.902 2.419 3.504 . 0 0 "[ . 1 . 2]" 1
118 1 14 ILE HG12 1 58 LEU MD1 4.000 . 5.000 2.912 2.334 3.741 . 0 0 "[ . 1 . 2]" 1
119 1 14 ILE HG13 1 58 LEU MD1 4.000 . 5.000 4.053 3.436 4.998 . 0 0 "[ . 1 . 2]" 1
120 1 14 ILE MG 1 15 PHE QD 4.000 . 5.000 4.725 4.388 5.002 0.002 15 0 "[ . 1 . 2]" 1
121 1 14 ILE MG 1 19 THR MG 4.000 . 5.000 1.946 1.784 2.522 0.016 10 0 "[ . 1 . 2]" 1
122 1 14 ILE MG 1 63 PRO QB 4.000 . 5.000 2.832 2.162 3.731 . 0 0 "[ . 1 . 2]" 1
123 1 14 ILE MG 1 65 LEU MD1 4.000 . 5.000 2.354 1.893 3.291 . 0 0 "[ . 1 . 2]" 1
124 1 14 ILE MG 1 65 LEU MD2 4.000 . 5.000 3.803 2.523 4.850 . 0 0 "[ . 1 . 2]" 1
125 1 14 ILE MD 1 33 PHE QE 4.000 . 5.000 4.339 3.646 5.004 0.004 9 0 "[ . 1 . 2]" 1
126 1 14 ILE MD 1 58 LEU MD1 4.000 . 5.000 2.674 2.117 3.724 . 0 0 "[ . 1 . 2]" 1
127 1 14 ILE MD 1 65 LEU MD1 4.000 . 5.000 3.997 3.509 4.310 . 0 0 "[ . 1 . 2]" 1
128 1 15 PHE H 1 16 GLU H 4.000 . 5.000 2.707 2.367 2.881 . 0 0 "[ . 1 . 2]" 1
129 1 15 PHE H 1 17 GLY H 4.000 . 5.000 3.971 3.802 4.218 . 0 0 "[ . 1 . 2]" 1
130 1 15 PHE HA 1 16 GLU H 4.000 . 5.000 3.561 3.488 3.586 . 0 0 "[ . 1 . 2]" 1
131 1 15 PHE HA 1 17 GLY H 4.000 . 5.000 4.599 4.210 4.908 . 0 0 "[ . 1 . 2]" 1
132 1 15 PHE QB 1 16 GLU H 3.000 . 3.500 2.471 2.359 2.885 . 0 0 "[ . 1 . 2]" 1
133 1 15 PHE QB 1 65 LEU MD1 4.000 . 5.000 2.969 2.133 4.138 . 0 0 "[ . 1 . 2]" 1
134 1 15 PHE QB 1 65 LEU MD2 4.000 . 5.000 2.446 1.896 4.246 . 0 0 "[ . 1 . 2]" 1
135 1 15 PHE QB 1 73 LEU MD1 4.000 . 5.000 2.966 2.035 3.637 . 0 0 "[ . 1 . 2]" 1
136 1 15 PHE QB 1 73 LEU MD2 4.000 . 5.000 3.890 3.569 4.451 . 0 0 "[ . 1 . 2]" 1
137 1 15 PHE QD 1 16 GLU HG2 4.000 . 5.000 3.301 1.790 5.011 0.011 15 0 "[ . 1 . 2]" 1
138 1 15 PHE QD 1 65 LEU QB 4.000 . 5.000 3.378 2.321 4.216 . 0 0 "[ . 1 . 2]" 1
139 1 15 PHE QD 1 65 LEU MD1 4.000 . 5.000 2.393 1.800 3.333 . 0 0 "[ . 1 . 2]" 1
140 1 15 PHE QD 1 65 LEU MD2 4.000 . 5.000 2.417 1.785 4.011 0.015 9 0 "[ . 1 . 2]" 1
141 1 15 PHE QD 1 73 LEU MD1 4.000 . 5.000 3.342 2.636 3.858 . 0 0 "[ . 1 . 2]" 1
142 1 15 PHE QD 1 73 LEU MD2 4.000 . 5.000 4.864 4.477 5.023 0.023 17 0 "[ . 1 . 2]" 1
143 1 15 PHE QE 1 65 LEU MD2 4.000 . 5.000 3.837 3.187 5.009 0.009 14 0 "[ . 1 . 2]" 1
144 1 15 PHE QE 1 70 GLU HG3 4.000 . 5.000 4.422 2.366 5.011 0.011 13 0 "[ . 1 . 2]" 1
145 1 16 GLU H 1 17 GLY H 3.000 . 3.500 2.412 2.207 2.701 . 0 0 "[ . 1 . 2]" 1
146 1 16 GLU H 1 18 ASN H 4.000 . 5.000 3.871 3.399 4.115 . 0 0 "[ . 1 . 2]" 1
147 1 16 GLU HA 1 17 GLY H 4.000 . 5.000 3.490 3.329 3.544 . 0 0 "[ . 1 . 2]" 1
148 1 16 GLU HB2 1 17 GLY H 4.000 . 5.000 3.120 2.618 4.149 . 0 0 "[ . 1 . 2]" 1
149 1 16 GLU HB3 1 17 GLY H 4.000 . 5.000 3.828 2.632 4.215 . 0 0 "[ . 1 . 2]" 1
150 1 16 GLU QG 1 17 GLY H 4.000 . 5.000 3.764 2.362 4.551 . 0 0 "[ . 1 . 2]" 1
151 1 17 GLY H 1 18 ASN H 2.500 . 2.900 2.387 2.216 2.533 . 0 0 "[ . 1 . 2]" 1
152 1 17 GLY HA2 1 18 ASN H 4.000 . 5.000 3.426 3.248 3.495 . 0 0 "[ . 1 . 2]" 1
153 1 17 GLY HA3 1 18 ASN H 4.000 . 5.000 3.043 2.932 3.264 . 0 0 "[ . 1 . 2]" 1
154 1 17 GLY QA 1 18 ASN HB2 4.000 . 5.000 4.263 4.052 4.401 . 0 0 "[ . 1 . 2]" 1
155 1 17 GLY QA 1 18 ASN HB3 4.000 . 5.000 4.165 3.989 4.381 . 0 0 "[ . 1 . 2]" 1
156 1 17 GLY QA 1 19 THR H 4.000 . 5.000 3.246 2.925 4.312 . 0 0 "[ . 1 . 2]" 1
157 1 18 ASN H 1 19 THR H 4.000 . 5.000 2.829 2.480 4.115 . 0 0 "[ . 1 . 2]" 1
158 1 18 ASN H 1 19 THR MG 4.000 . 5.000 4.284 3.462 5.031 0.031 18 0 "[ . 1 . 2]" 1
159 1 18 ASN HA 1 19 THR H 3.000 . 3.500 3.167 2.910 3.506 0.006 18 0 "[ . 1 . 2]" 1
160 1 18 ASN HA 1 19 THR MG 4.000 . 5.000 4.081 3.721 4.487 . 0 0 "[ . 1 . 2]" 1
161 1 19 THR HA 1 20 PRO HA 3.000 . 3.500 2.382 2.157 2.573 . 0 0 "[ . 1 . 2]" 1
162 1 19 THR HA 1 21 LEU H 4.000 . 5.000 3.553 2.331 4.066 . 0 0 "[ . 1 . 2]" 1
163 1 19 THR MG 1 21 LEU QB 4.000 . 5.000 3.799 2.903 4.437 . 0 0 "[ . 1 . 2]" 1
164 1 19 THR MG 1 58 LEU HB2 4.000 . 5.000 3.666 2.313 4.537 . 0 0 "[ . 1 . 2]" 1
165 1 19 THR MG 1 58 LEU HB3 4.000 . 5.000 2.656 1.835 3.306 . 0 0 "[ . 1 . 2]" 1
166 1 19 THR MG 1 58 LEU MD2 4.000 . 5.000 3.019 2.647 3.425 . 0 0 "[ . 1 . 2]" 1
167 1 19 THR MG 1 63 PRO QB 4.000 . 5.000 2.858 2.094 4.039 . 0 0 "[ . 1 . 2]" 1
168 1 19 THR MG 1 63 PRO QG 4.000 . 5.000 2.172 1.796 2.804 0.004 15 0 "[ . 1 . 2]" 1
169 1 19 THR MG 1 63 PRO HD2 4.000 . 5.000 3.772 3.071 4.765 . 0 0 "[ . 1 . 2]" 1
170 1 19 THR MG 1 63 PRO HD3 4.000 . 5.000 4.357 3.173 5.008 0.008 4 0 "[ . 1 . 2]" 1
171 1 19 THR MG 1 65 LEU MD1 4.000 . 5.000 4.777 4.166 5.026 0.026 4 0 "[ . 1 . 2]" 1
172 1 20 PRO HA 1 21 LEU H 3.000 . 3.500 2.402 2.218 2.640 . 0 0 "[ . 1 . 2]" 1
173 1 20 PRO HA 1 58 LEU HA 4.000 . 5.000 5.011 4.767 5.045 0.045 7 0 "[ . 1 . 2]" 1
174 1 20 PRO HA 1 60 LYS HA 4.000 . 5.000 4.563 3.564 5.029 0.029 16 0 "[ . 1 . 2]" 1
175 1 20 PRO HD2 1 60 LYS QB 4.000 . 5.000 4.716 3.443 5.013 0.013 2 0 "[ . 1 . 2]" 1
176 1 20 PRO HD3 1 60 LYS QB 4.000 . 5.000 3.489 1.856 4.063 . 0 0 "[ . 1 . 2]" 1
177 1 21 LEU H 1 22 SER H 4.000 . 5.000 4.188 3.965 4.522 . 0 0 "[ . 1 . 2]" 1
178 1 21 LEU HA 1 22 SER H 3.000 . 3.500 2.166 2.113 2.270 . 0 0 "[ . 1 . 2]" 1
179 1 21 LEU HA 1 22 SER HA 4.000 . 5.000 4.352 4.302 4.414 . 0 0 "[ . 1 . 2]" 1
180 1 21 LEU HA 1 25 ASP QB 4.000 . 5.000 3.547 2.967 5.018 0.018 5 0 "[ . 1 . 2]" 1
181 1 21 LEU HG 1 26 ILE MG 4.000 . 5.000 3.834 3.148 4.932 . 0 0 "[ . 1 . 2]" 1
182 1 21 LEU HG 1 33 PHE QE 4.000 . 5.000 2.934 2.020 3.856 . 0 0 "[ . 1 . 2]" 1
183 1 21 LEU MD1 1 25 ASP QB 4.000 . 5.000 3.432 1.914 4.908 . 0 0 "[ . 1 . 2]" 1
184 1 21 LEU MD1 1 26 ILE QG 4.000 . 5.000 3.016 2.509 3.836 . 0 0 "[ . 1 . 2]" 1
185 1 21 LEU MD2 1 26 ILE QG 4.000 . 5.000 4.647 2.597 5.029 0.029 6 0 "[ . 1 . 2]" 1
186 1 21 LEU MD1 1 26 ILE MD 4.000 . 5.000 3.519 1.924 4.924 . 0 0 "[ . 1 . 2]" 1
187 1 21 LEU MD1 1 33 PHE QE 4.000 . 5.000 3.157 2.173 4.854 . 0 0 "[ . 1 . 2]" 1
188 1 21 LEU MD2 1 33 PHE QE 4.000 . 5.000 3.182 1.990 4.007 . 0 0 "[ . 1 . 2]" 1
189 1 21 LEU MD2 1 33 PHE HZ 4.000 . 5.000 3.109 2.102 3.967 . 0 0 "[ . 1 . 2]" 1
190 1 21 LEU MD2 1 58 LEU MD1 4.000 . 5.000 2.370 1.988 3.398 . 0 0 "[ . 1 . 2]" 1
191 1 22 SER H 1 25 ASP H 4.000 . 5.000 3.819 3.407 4.434 . 0 0 "[ . 1 . 2]" 1
192 1 22 SER H 1 25 ASP QB 4.000 . 5.000 2.575 1.908 4.330 . 0 0 "[ . 1 . 2]" 1
193 1 22 SER HA 1 23 GLU H 3.000 . 3.500 2.440 2.328 2.524 . 0 0 "[ . 1 . 2]" 1
194 1 22 SER HA 1 33 PHE QE 4.000 . 5.000 4.620 4.044 5.013 0.013 4 0 "[ . 1 . 2]" 1
195 1 22 SER HB2 1 23 GLU H 3.000 . 3.500 3.444 3.266 3.561 0.061 1 0 "[ . 1 . 2]" 1
196 1 22 SER HB3 1 23 GLU H 3.000 . 3.500 2.467 2.270 3.529 0.029 1 0 "[ . 1 . 2]" 1
197 1 22 SER HB3 1 23 GLU HA 4.000 . 5.000 4.879 4.781 5.038 0.038 1 0 "[ . 1 . 2]" 1
198 1 22 SER HB2 1 24 ASN H 4.000 . 5.000 3.242 2.661 4.577 . 0 0 "[ . 1 . 2]" 1
199 1 22 SER HB3 1 24 ASN H 4.000 . 5.000 3.085 2.779 3.944 . 0 0 "[ . 1 . 2]" 1
200 1 23 GLU H 1 24 ASN H 3.000 . 3.500 2.654 2.410 2.761 . 0 0 "[ . 1 . 2]" 1
201 1 23 GLU HA 1 24 ASN H 4.000 . 5.000 3.522 3.470 3.576 . 0 0 "[ . 1 . 2]" 1
202 1 23 GLU HA 1 26 ILE H 4.000 . 5.000 3.548 3.335 3.874 . 0 0 "[ . 1 . 2]" 1
203 1 23 GLU HA 1 26 ILE HB 4.000 . 5.000 4.432 4.124 4.956 . 0 0 "[ . 1 . 2]" 1
204 1 23 GLU HB2 1 28 VAL MG2 4.000 . 5.000 3.272 2.424 5.008 0.008 15 0 "[ . 1 . 2]" 1
205 1 23 GLU HB3 1 28 VAL MG2 4.000 . 5.000 3.413 2.236 4.591 . 0 0 "[ . 1 . 2]" 1
206 1 23 GLU QB 1 29 THR HB 4.000 . 5.000 4.966 4.445 5.031 0.031 20 0 "[ . 1 . 2]" 1
207 1 23 GLU QB 1 30 GLU QG 4.000 . 5.000 3.752 2.968 4.514 . 0 0 "[ . 1 . 2]" 1
208 1 23 GLU QB 1 33 PHE QB 4.000 . 5.000 2.502 1.779 3.451 0.021 14 0 "[ . 1 . 2]" 1
209 1 23 GLU QB 1 33 PHE QD 4.000 . 5.000 3.559 2.691 4.554 . 0 0 "[ . 1 . 2]" 1
210 1 23 GLU HG2 1 30 GLU QG 4.000 . 5.000 3.427 1.789 5.045 0.045 20 0 "[ . 1 . 2]" 1
211 1 23 GLU HG3 1 30 GLU QG 4.000 . 5.000 3.397 1.794 5.022 0.022 16 0 "[ . 1 . 2]" 1
212 1 24 ASN H 1 25 ASP H 3.000 . 3.500 2.575 2.449 2.708 . 0 0 "[ . 1 . 2]" 1
213 1 24 ASN H 1 26 ILE H 4.000 . 5.000 4.362 3.936 4.636 . 0 0 "[ . 1 . 2]" 1
214 1 24 ASN HA 1 25 ASP H 4.000 . 5.000 3.447 3.356 3.554 . 0 0 "[ . 1 . 2]" 1
215 1 24 ASN HA 1 27 GLY H 4.000 . 5.000 3.579 3.248 3.883 . 0 0 "[ . 1 . 2]" 1
216 1 24 ASN HA 1 27 GLY QA 4.000 . 5.000 3.754 3.415 4.482 . 0 0 "[ . 1 . 2]" 1
217 1 25 ASP H 1 25 ASP HA 3.000 . 3.500 2.869 2.819 2.901 . 0 0 "[ . 1 . 2]" 1
218 1 25 ASP H 1 26 ILE H 3.000 . 3.500 2.515 2.378 2.693 . 0 0 "[ . 1 . 2]" 1
219 1 25 ASP H 1 26 ILE MG 4.000 . 5.000 3.667 3.395 3.910 . 0 0 "[ . 1 . 2]" 1
220 1 25 ASP H 1 27 GLY H 4.000 . 5.000 3.837 3.637 4.246 . 0 0 "[ . 1 . 2]" 1
221 1 25 ASP HA 1 26 ILE H 4.000 . 5.000 3.532 3.299 3.565 . 0 0 "[ . 1 . 2]" 1
222 1 25 ASP QB 1 26 ILE MG 4.000 . 5.000 3.875 3.600 4.996 . 0 0 "[ . 1 . 2]" 1
223 1 26 ILE H 1 26 ILE HB 3.000 . 3.500 2.667 2.560 2.970 . 0 0 "[ . 1 . 2]" 1
224 1 26 ILE H 1 27 GLY H 3.000 . 3.500 2.477 2.203 2.604 . 0 0 "[ . 1 . 2]" 1
225 1 26 ILE H 1 28 VAL H 4.000 . 5.000 4.173 3.967 4.445 . 0 0 "[ . 1 . 2]" 1
226 1 26 ILE HA 1 27 GLY H 4.000 . 5.000 3.536 3.485 3.556 . 0 0 "[ . 1 . 2]" 1
227 1 26 ILE HB 1 28 VAL MG2 4.000 . 5.000 4.238 4.083 4.420 . 0 0 "[ . 1 . 2]" 1
228 1 26 ILE HB 1 33 PHE QD 4.000 . 5.000 4.604 3.836 5.011 0.011 4 0 "[ . 1 . 2]" 1
229 1 26 ILE HG12 1 28 VAL MG1 4.000 . 5.000 4.177 2.913 5.002 0.002 1 0 "[ . 1 . 2]" 1
230 1 26 ILE HG13 1 28 VAL MG1 4.000 . 5.000 4.518 3.164 5.013 0.013 7 0 "[ . 1 . 2]" 1
231 1 26 ILE HG13 1 28 VAL MG2 4.000 . 5.000 4.166 2.353 5.010 0.010 6 0 "[ . 1 . 2]" 1
232 1 26 ILE QG 1 33 PHE QE 4.000 . 5.000 4.368 3.592 5.007 0.007 9 0 "[ . 1 . 2]" 1
233 1 26 ILE MG 1 27 GLY HA2 4.000 . 5.000 4.055 3.984 4.180 . 0 0 "[ . 1 . 2]" 1
234 1 26 ILE MG 1 27 GLY HA3 4.000 . 5.000 3.891 3.783 4.054 . 0 0 "[ . 1 . 2]" 1
235 1 26 ILE MG 1 33 PHE QD 4.000 . 5.000 2.447 1.946 2.811 . 0 0 "[ . 1 . 2]" 1
236 1 26 ILE MG 1 33 PHE QE 4.000 . 5.000 2.955 2.363 3.654 . 0 0 "[ . 1 . 2]" 1
237 1 26 ILE MD 1 28 VAL MG2 4.000 . 5.000 2.555 1.806 3.692 . 0 0 "[ . 1 . 2]" 1
238 1 26 ILE MD 1 33 PHE QD 4.000 . 5.000 3.732 2.497 4.665 . 0 0 "[ . 1 . 2]" 1
239 1 26 ILE MD 1 33 PHE QE 4.000 . 5.000 4.134 2.467 5.004 0.004 11 0 "[ . 1 . 2]" 1
240 1 27 GLY H 1 28 VAL H 3.000 . 3.500 2.190 1.929 2.589 . 0 0 "[ . 1 . 2]" 1
241 1 27 GLY HA2 1 28 VAL H 4.000 . 5.000 3.151 2.890 3.511 . 0 0 "[ . 1 . 2]" 1
242 1 27 GLY HA2 1 28 VAL MG2 4.000 . 5.000 4.864 4.696 5.018 0.018 10 0 "[ . 1 . 2]" 1
243 1 27 GLY HA3 1 28 VAL MG2 4.000 . 5.000 4.689 4.381 4.821 . 0 0 "[ . 1 . 2]" 1
244 1 28 VAL HA 1 29 THR H 3.000 . 3.500 2.428 2.136 2.535 . 0 0 "[ . 1 . 2]" 1
245 1 28 VAL HB 1 29 THR MG 4.000 . 5.000 3.986 3.279 4.542 . 0 0 "[ . 1 . 2]" 1
246 1 28 VAL HB 1 32 GLN QB 4.000 . 5.000 2.325 1.797 3.233 0.003 11 0 "[ . 1 . 2]" 1
247 1 28 VAL MG1 1 29 THR MG 4.000 . 5.000 4.696 4.241 5.005 0.005 2 0 "[ . 1 . 2]" 1
248 1 28 VAL MG1 1 32 GLN QB 4.000 . 5.000 3.339 2.747 3.951 . 0 0 "[ . 1 . 2]" 1
249 1 28 VAL MG2 1 32 GLN QB 4.000 . 5.000 3.042 2.347 3.788 . 0 0 "[ . 1 . 2]" 1
250 1 28 VAL MG1 1 32 GLN QG 4.000 . 5.000 4.196 2.670 5.021 0.021 4 0 "[ . 1 . 2]" 1
251 1 28 VAL MG2 1 33 PHE HB2 4.000 . 5.000 2.274 1.938 2.881 . 0 0 "[ . 1 . 2]" 1
252 1 28 VAL MG2 1 33 PHE HB3 4.000 . 5.000 3.753 3.408 4.248 . 0 0 "[ . 1 . 2]" 1
253 1 28 VAL MG2 1 33 PHE QD 4.000 . 5.000 2.529 2.028 3.430 . 0 0 "[ . 1 . 2]" 1
254 1 28 VAL MG1 1 36 ALA MB 4.000 . 5.000 4.752 4.150 5.006 0.006 7 0 "[ . 1 . 2]" 1
255 1 28 VAL MG2 1 36 ALA MB 4.000 . 5.000 4.143 3.601 4.625 . 0 0 "[ . 1 . 2]" 1
256 1 29 THR H 1 30 GLU H 4.000 . 5.000 4.564 4.461 4.612 . 0 0 "[ . 1 . 2]" 1
257 1 29 THR H 1 32 GLN H 4.000 . 5.000 3.954 3.496 4.430 . 0 0 "[ . 1 . 2]" 1
258 1 29 THR H 1 32 GLN HB2 4.000 . 5.000 3.076 2.389 4.316 . 0 0 "[ . 1 . 2]" 1
259 1 29 THR H 1 32 GLN HB3 4.000 . 5.000 4.226 2.499 5.000 . 0 0 "[ . 1 . 2]" 1
260 1 29 THR H 1 32 GLN QG 4.000 . 5.000 3.745 2.718 4.988 . 0 0 "[ . 1 . 2]" 1
261 1 29 THR H 1 33 PHE H 4.000 . 5.000 4.490 3.976 4.954 . 0 0 "[ . 1 . 2]" 1
262 1 29 THR HA 1 30 GLU H 2.500 . 2.900 2.407 2.281 2.596 . 0 0 "[ . 1 . 2]" 1
263 1 29 THR HA 1 31 ASP H 4.000 . 5.000 4.383 4.110 4.818 . 0 0 "[ . 1 . 2]" 1
264 1 29 THR HB 1 30 GLU H 3.000 . 3.500 2.978 2.192 3.570 0.070 7 0 "[ . 1 . 2]" 1
265 1 29 THR HB 1 31 ASP H 4.000 . 5.000 3.642 2.408 5.001 0.001 5 0 "[ . 1 . 2]" 1
266 1 29 THR MG 1 30 GLU H 4.000 . 5.000 3.533 2.817 3.868 . 0 0 "[ . 1 . 2]" 1
267 1 29 THR MG 1 30 GLU QG 4.000 . 5.000 4.484 3.873 5.019 0.019 7 0 "[ . 1 . 2]" 1
268 1 29 THR MG 1 32 GLN QB 4.000 . 5.000 3.412 1.871 4.585 . 0 0 "[ . 1 . 2]" 1
269 1 29 THR MG 1 32 GLN QG 4.000 . 5.000 3.332 1.916 5.008 0.008 16 0 "[ . 1 . 2]" 1
270 1 29 THR MG 1 32 GLN QE 4.000 . 5.000 3.945 1.983 5.025 0.025 19 0 "[ . 1 . 2]" 1
271 1 30 GLU H 1 31 ASP H 3.000 . 3.500 2.693 2.454 2.915 . 0 0 "[ . 1 . 2]" 1
272 1 30 GLU H 1 32 GLN H 4.000 . 5.000 4.367 4.090 4.659 . 0 0 "[ . 1 . 2]" 1
273 1 30 GLU HA 1 31 ASP H 4.000 . 5.000 3.501 3.458 3.540 . 0 0 "[ . 1 . 2]" 1
274 1 30 GLU HA 1 33 PHE H 4.000 . 5.000 3.421 2.869 3.942 . 0 0 "[ . 1 . 2]" 1
275 1 30 GLU HA 1 34 ASP H 4.000 . 5.000 3.696 3.282 4.331 . 0 0 "[ . 1 . 2]" 1
276 1 30 GLU QG 1 31 ASP QB 4.000 . 5.000 4.713 3.296 5.094 0.094 6 0 "[ . 1 . 2]" 1
277 1 31 ASP H 1 32 GLN H 3.000 . 3.500 2.786 2.494 3.071 . 0 0 "[ . 1 . 2]" 1
278 1 31 ASP HA 1 32 GLN H 4.000 . 5.000 3.535 3.449 3.570 . 0 0 "[ . 1 . 2]" 1
279 1 31 ASP HA 1 34 ASP H 4.000 . 5.000 3.827 3.301 4.372 . 0 0 "[ . 1 . 2]" 1
280 1 31 ASP HA 1 35 ASP H 4.000 . 5.000 4.076 3.698 4.376 . 0 0 "[ . 1 . 2]" 1
281 1 31 ASP QB 1 32 GLN QG 4.000 . 5.000 3.702 2.913 5.081 0.081 14 0 "[ . 1 . 2]" 1
282 1 32 GLN H 1 33 PHE H 3.000 . 3.500 2.493 2.364 2.709 . 0 0 "[ . 1 . 2]" 1
283 1 32 GLN H 1 34 ASP H 4.000 . 5.000 4.261 3.789 4.658 . 0 0 "[ . 1 . 2]" 1
284 1 32 GLN HA 1 33 PHE H 4.000 . 5.000 3.500 3.427 3.549 . 0 0 "[ . 1 . 2]" 1
285 1 32 GLN HA 1 33 PHE HA 4.000 . 5.000 4.794 4.734 4.850 . 0 0 "[ . 1 . 2]" 1
286 1 32 GLN HA 1 35 ASP H 4.000 . 5.000 3.536 3.107 4.001 . 0 0 "[ . 1 . 2]" 1
287 1 32 GLN QB 1 33 PHE QB 4.000 . 5.000 3.986 3.649 4.305 . 0 0 "[ . 1 . 2]" 1
288 1 32 GLN QB 1 36 ALA H 4.000 . 5.000 4.653 4.193 5.041 0.041 19 0 "[ . 1 . 2]" 1
289 1 32 GLN QG 1 35 ASP QB 4.000 . 5.000 4.370 3.651 4.866 . 0 0 "[ . 1 . 2]" 1
290 1 33 PHE H 1 33 PHE HA 3.000 . 3.500 2.823 2.791 2.856 . 0 0 "[ . 1 . 2]" 1
291 1 33 PHE H 1 34 ASP H 3.000 . 3.500 2.704 2.460 2.852 . 0 0 "[ . 1 . 2]" 1
292 1 33 PHE H 1 35 ASP H 4.000 . 5.000 4.130 3.841 4.397 . 0 0 "[ . 1 . 2]" 1
293 1 33 PHE HA 1 34 ASP H 4.000 . 5.000 3.554 3.509 3.585 . 0 0 "[ . 1 . 2]" 1
294 1 33 PHE HA 1 36 ALA H 4.000 . 5.000 3.625 3.207 3.935 . 0 0 "[ . 1 . 2]" 1
295 1 33 PHE HA 1 37 VAL H 4.000 . 5.000 3.970 3.768 4.277 . 0 0 "[ . 1 . 2]" 1
296 1 33 PHE QD 1 36 ALA MB 4.000 . 5.000 4.351 3.666 4.854 . 0 0 "[ . 1 . 2]" 1
297 1 33 PHE QD 1 37 VAL MG2 4.000 . 5.000 3.247 2.910 3.557 . 0 0 "[ . 1 . 2]" 1
298 1 33 PHE QD 1 56 PRO QG 4.000 . 5.000 4.101 2.757 5.006 0.006 18 0 "[ . 1 . 2]" 1
299 1 33 PHE QD 1 58 LEU MD1 4.000 . 5.000 4.636 4.084 5.004 0.004 3 0 "[ . 1 . 2]" 1
300 1 33 PHE QE 1 37 VAL MG1 4.000 . 5.000 4.270 3.371 4.706 . 0 0 "[ . 1 . 2]" 1
301 1 33 PHE QE 1 37 VAL MG2 4.000 . 5.000 2.910 2.561 3.262 . 0 0 "[ . 1 . 2]" 1
302 1 33 PHE QE 1 56 PRO QB 4.000 . 5.000 4.186 1.869 5.002 0.002 7 0 "[ . 1 . 2]" 1
303 1 33 PHE QE 1 58 LEU HG 4.000 . 5.000 3.333 2.688 3.780 . 0 0 "[ . 1 . 2]" 1
304 1 33 PHE QE 1 58 LEU MD1 4.000 . 5.000 2.956 2.127 3.419 . 0 0 "[ . 1 . 2]" 1
305 1 33 PHE QE 1 58 LEU MD2 4.000 . 5.000 4.384 3.664 4.823 . 0 0 "[ . 1 . 2]" 1
306 1 33 PHE HZ 1 37 VAL MG2 4.000 . 5.000 3.424 3.142 3.804 . 0 0 "[ . 1 . 2]" 1
307 1 33 PHE HZ 1 58 LEU HG 4.000 . 5.000 3.504 2.460 4.903 . 0 0 "[ . 1 . 2]" 1
308 1 33 PHE HZ 1 58 LEU MD1 4.000 . 5.000 2.054 1.794 2.544 0.006 19 0 "[ . 1 . 2]" 1
309 1 33 PHE HZ 1 58 LEU MD2 4.000 . 5.000 4.338 3.730 4.935 . 0 0 "[ . 1 . 2]" 1
310 1 34 ASP H 1 35 ASP H 4.000 . 5.000 2.779 2.539 2.924 . 0 0 "[ . 1 . 2]" 1
311 1 34 ASP HA 1 35 ASP H 4.000 . 5.000 3.546 3.498 3.572 . 0 0 "[ . 1 . 2]" 1
312 1 34 ASP HA 1 35 ASP HA 4.000 . 5.000 4.830 4.753 4.915 . 0 0 "[ . 1 . 2]" 1
313 1 34 ASP HA 1 36 ALA H 4.000 . 5.000 4.516 4.324 4.782 . 0 0 "[ . 1 . 2]" 1
314 1 34 ASP HA 1 37 VAL H 4.000 . 5.000 3.703 3.455 4.037 . 0 0 "[ . 1 . 2]" 1
315 1 34 ASP HA 1 37 VAL HB 4.000 . 5.000 3.067 2.637 3.539 . 0 0 "[ . 1 . 2]" 1
316 1 34 ASP QB 1 38 ASN HD21 4.000 . 5.000 4.032 3.020 4.543 . 0 0 "[ . 1 . 2]" 1
317 1 34 ASP QB 1 38 ASN HD22 4.000 . 5.000 4.094 3.016 4.941 . 0 0 "[ . 1 . 2]" 1
318 1 34 ASP QB 1 56 PRO QG 4.000 . 5.000 3.776 1.792 5.006 0.008 20 0 "[ . 1 . 2]" 1
319 1 35 ASP H 1 36 ALA H 3.000 . 3.500 2.788 2.642 2.950 . 0 0 "[ . 1 . 2]" 1
320 1 35 ASP H 1 37 VAL H 4.000 . 5.000 4.425 4.156 4.608 . 0 0 "[ . 1 . 2]" 1
321 1 35 ASP HA 1 36 ALA H 4.000 . 5.000 3.543 3.508 3.568 . 0 0 "[ . 1 . 2]" 1
322 1 35 ASP HA 1 38 ASN H 4.000 . 5.000 3.925 3.568 4.370 . 0 0 "[ . 1 . 2]" 1
323 1 35 ASP HB3 1 36 ALA MB 4.000 . 5.000 3.921 3.624 4.536 . 0 0 "[ . 1 . 2]" 1
324 1 36 ALA H 1 37 VAL H 3.000 . 3.500 2.767 2.649 2.896 . 0 0 "[ . 1 . 2]" 1
325 1 36 ALA H 1 37 VAL MG2 4.000 . 5.000 4.228 4.106 4.339 . 0 0 "[ . 1 . 2]" 1
326 1 36 ALA HA 1 37 VAL H 4.000 . 5.000 3.569 3.554 3.581 . 0 0 "[ . 1 . 2]" 1
327 1 36 ALA HA 1 39 PHE H 4.000 . 5.000 3.654 3.326 3.936 . 0 0 "[ . 1 . 2]" 1
328 1 36 ALA HA 1 40 LEU H 4.000 . 5.000 4.008 3.872 4.276 . 0 0 "[ . 1 . 2]" 1
329 1 36 ALA MB 1 37 VAL MG2 4.000 . 5.000 2.986 2.818 3.269 . 0 0 "[ . 1 . 2]" 1
330 1 36 ALA MB 1 39 PHE QB 4.000 . 5.000 4.082 3.785 4.374 . 0 0 "[ . 1 . 2]" 1
331 1 36 ALA MB 1 39 PHE QD 4.000 . 5.000 4.859 4.465 5.024 0.024 11 0 "[ . 1 . 2]" 1
332 1 36 ALA MB 1 40 LEU MD2 4.000 . 5.000 4.011 3.654 4.411 . 0 0 "[ . 1 . 2]" 1
333 1 37 VAL H 1 38 ASN H 3.000 . 3.500 2.749 2.658 2.822 . 0 0 "[ . 1 . 2]" 1
334 1 37 VAL H 1 39 PHE H 4.000 . 5.000 4.219 4.047 4.363 . 0 0 "[ . 1 . 2]" 1
335 1 37 VAL H 1 40 LEU MD1 4.000 . 5.000 4.035 3.754 4.427 . 0 0 "[ . 1 . 2]" 1
336 1 37 VAL HA 1 40 LEU H 4.000 . 5.000 3.458 3.276 3.637 . 0 0 "[ . 1 . 2]" 1
337 1 37 VAL HA 1 41 LYS H 4.000 . 5.000 4.016 3.755 4.221 . 0 0 "[ . 1 . 2]" 1
338 1 37 VAL HB 1 38 ASN HA 4.000 . 5.000 4.337 4.196 4.465 . 0 0 "[ . 1 . 2]" 1
339 1 37 VAL HB 1 56 PRO QG 4.000 . 5.000 2.768 2.221 4.139 . 0 0 "[ . 1 . 2]" 1
340 1 37 VAL MG1 1 41 LYS HB2 4.000 . 5.000 3.356 3.021 3.749 . 0 0 "[ . 1 . 2]" 1
341 1 37 VAL MG1 1 41 LYS HB3 4.000 . 5.000 4.255 3.866 4.775 . 0 0 "[ . 1 . 2]" 1
342 1 37 VAL MG1 1 46 ILE QG 4.000 . 5.000 3.784 3.139 4.264 . 0 0 "[ . 1 . 2]" 1
343 1 37 VAL MG1 1 46 ILE MD 4.000 . 5.000 2.838 2.208 3.595 . 0 0 "[ . 1 . 2]" 1
344 1 37 VAL MG1 1 49 VAL HB 4.000 . 5.000 4.067 3.643 4.719 . 0 0 "[ . 1 . 2]" 1
345 1 37 VAL MG1 1 49 VAL MG1 4.000 . 5.000 2.256 1.963 2.701 . 0 0 "[ . 1 . 2]" 1
346 1 37 VAL MG1 1 49 VAL MG2 4.000 . 5.000 2.562 2.180 3.130 . 0 0 "[ . 1 . 2]" 1
347 1 37 VAL MG1 1 51 TYR QE 4.000 . 5.000 4.130 2.925 5.006 0.006 20 0 "[ . 1 . 2]" 1
348 1 37 VAL MG1 1 56 PRO HB2 4.000 . 5.000 2.665 2.114 4.019 . 0 0 "[ . 1 . 2]" 1
349 1 37 VAL MG1 1 56 PRO HB3 4.000 . 5.000 2.920 2.189 4.304 . 0 0 "[ . 1 . 2]" 1
350 1 37 VAL MG1 1 56 PRO QG 4.000 . 5.000 2.897 2.292 3.683 . 0 0 "[ . 1 . 2]" 1
351 1 37 VAL MG2 1 56 PRO QG 4.000 . 5.000 3.480 2.635 4.604 . 0 0 "[ . 1 . 2]" 1
352 1 37 VAL MG1 1 58 LEU MD2 4.000 . 5.000 2.926 2.595 3.429 . 0 0 "[ . 1 . 2]" 1
353 1 37 VAL MG2 1 58 LEU MD1 4.000 . 5.000 2.944 2.385 3.618 . 0 0 "[ . 1 . 2]" 1
354 1 38 ASN H 1 39 PHE H 4.000 . 5.000 2.686 2.601 2.794 . 0 0 "[ . 1 . 2]" 1
355 1 38 ASN HA 1 39 PHE H 4.000 . 5.000 3.537 3.504 3.561 . 0 0 "[ . 1 . 2]" 1
356 1 38 ASN HA 1 39 PHE HA 4.000 . 5.000 4.770 4.703 4.842 . 0 0 "[ . 1 . 2]" 1
357 1 38 ASN HA 1 41 LYS H 4.000 . 5.000 3.519 3.316 3.660 . 0 0 "[ . 1 . 2]" 1
358 1 38 ASN HA 1 42 ARG H 4.000 . 5.000 4.131 3.873 4.375 . 0 0 "[ . 1 . 2]" 1
359 1 38 ASN HD21 1 56 PRO QG 4.000 . 5.000 4.045 3.244 4.832 . 0 0 "[ . 1 . 2]" 1
360 1 38 ASN HD22 1 56 PRO QG 4.000 . 5.000 3.286 2.476 4.935 . 0 0 "[ . 1 . 2]" 1
361 1 39 PHE H 1 41 LYS H 4.000 . 5.000 4.115 3.930 4.331 . 0 0 "[ . 1 . 2]" 1
362 1 39 PHE HA 1 40 LEU H 4.000 . 5.000 3.537 3.524 3.556 . 0 0 "[ . 1 . 2]" 1
363 1 39 PHE HA 1 42 ARG H 4.000 . 5.000 3.372 3.118 3.564 . 0 0 "[ . 1 . 2]" 1
364 1 39 PHE HA 1 42 ARG QG 4.000 . 5.000 4.096 2.719 4.835 . 0 0 "[ . 1 . 2]" 1
365 1 39 PHE HA 1 42 ARG QD 4.000 . 5.000 3.484 2.059 5.010 0.010 5 0 "[ . 1 . 2]" 1
366 1 39 PHE QD 1 40 LEU HG 4.000 . 5.000 3.476 2.963 3.787 . 0 0 "[ . 1 . 2]" 1
367 1 39 PHE QD 1 40 LEU MD1 4.000 . 5.000 4.780 4.383 5.013 0.013 15 0 "[ . 1 . 2]" 1
368 1 39 PHE QD 1 40 LEU MD2 4.000 . 5.000 2.965 2.419 3.618 . 0 0 "[ . 1 . 2]" 1
369 1 39 PHE QD 1 42 ARG QD 4.000 . 5.000 3.876 2.750 5.018 0.018 5 0 "[ . 1 . 2]" 1
370 1 39 PHE QD 1 43 GLU QG 4.000 . 5.000 4.098 3.188 5.006 0.006 20 0 "[ . 1 . 2]" 1
371 1 39 PHE QD 1 45 TYR QD 4.000 . 5.000 4.490 3.955 5.014 0.014 6 0 "[ . 1 . 2]" 1
372 1 39 PHE QE 1 43 GLU QG 4.000 . 5.000 3.401 2.858 4.132 . 0 0 "[ . 1 . 2]" 1
373 1 39 PHE QE 1 45 TYR QE 4.000 . 5.000 3.386 2.261 4.526 . 0 0 "[ . 1 . 2]" 1
374 1 39 PHE HZ 1 43 GLU QG 4.000 . 5.000 3.589 2.718 4.860 . 0 0 "[ . 1 . 2]" 1
375 1 40 LEU H 1 41 LYS H 3.000 . 3.500 2.685 2.603 2.795 . 0 0 "[ . 1 . 2]" 1
376 1 40 LEU HA 1 41 LYS H 4.000 . 5.000 3.529 3.510 3.564 . 0 0 "[ . 1 . 2]" 1
377 1 40 LEU HA 1 45 TYR H 4.000 . 5.000 3.679 3.388 4.083 . 0 0 "[ . 1 . 2]" 1
378 1 40 LEU HA 1 45 TYR QE 4.000 . 5.000 3.630 3.214 4.122 . 0 0 "[ . 1 . 2]" 1
379 1 40 LEU QB 1 46 ILE MD 4.000 . 5.000 2.103 1.786 2.369 0.014 19 0 "[ . 1 . 2]" 1
380 1 40 LEU HG 1 45 TYR QB 4.000 . 5.000 4.569 4.255 5.008 0.008 9 0 "[ . 1 . 2]" 1
381 1 40 LEU MD2 1 45 TYR HB2 4.000 . 5.000 2.620 2.237 2.998 . 0 0 "[ . 1 . 2]" 1
382 1 40 LEU MD2 1 45 TYR HB3 4.000 . 5.000 3.058 2.522 3.545 . 0 0 "[ . 1 . 2]" 1
383 1 40 LEU MD2 1 45 TYR QD 4.000 . 5.000 2.379 1.799 3.016 0.001 3 0 "[ . 1 . 2]" 1
384 1 40 LEU MD2 1 45 TYR QE 4.000 . 5.000 3.318 2.856 3.848 . 0 0 "[ . 1 . 2]" 1
385 1 40 LEU MD2 1 46 ILE QG 4.000 . 5.000 4.078 3.444 5.031 0.031 5 0 "[ . 1 . 2]" 1
386 1 41 LYS H 1 42 ARG H 3.000 . 3.500 2.532 2.429 2.655 . 0 0 "[ . 1 . 2]" 1
387 1 41 LYS H 1 43 GLU H 4.000 . 5.000 4.319 4.077 4.666 . 0 0 "[ . 1 . 2]" 1
388 1 41 LYS HA 1 42 ARG H 4.000 . 5.000 3.505 3.445 3.546 . 0 0 "[ . 1 . 2]" 1
389 1 41 LYS HA 1 44 GLY H 4.000 . 5.000 3.501 3.173 3.755 . 0 0 "[ . 1 . 2]" 1
390 1 41 LYS HA 1 44 GLY QA 4.000 . 5.000 3.612 2.985 4.186 . 0 0 "[ . 1 . 2]" 1
391 1 41 LYS HA 1 45 TYR H 4.000 . 5.000 3.514 3.151 3.747 . 0 0 "[ . 1 . 2]" 1
392 1 41 LYS HA 1 46 ILE H 4.000 . 5.000 3.121 2.801 3.373 . 0 0 "[ . 1 . 2]" 1
393 1 41 LYS HA 1 47 ILE MG 4.000 . 5.000 4.420 3.753 4.947 . 0 0 "[ . 1 . 2]" 1
394 1 41 LYS HB2 1 46 ILE MD 4.000 . 5.000 2.725 2.276 3.577 . 0 0 "[ . 1 . 2]" 1
395 1 41 LYS HB3 1 46 ILE MD 4.000 . 5.000 4.002 3.550 4.826 . 0 0 "[ . 1 . 2]" 1
396 1 41 LYS QG 1 46 ILE H 4.000 . 5.000 4.765 4.421 5.049 0.049 11 0 "[ . 1 . 2]" 1
397 1 41 LYS HG2 1 46 ILE MD 4.000 . 5.000 4.045 2.736 5.003 0.003 8 0 "[ . 1 . 2]" 1
398 1 41 LYS HG3 1 46 ILE MD 4.000 . 5.000 3.806 2.997 5.010 0.010 5 0 "[ . 1 . 2]" 1
399 1 41 LYS QG 1 49 VAL HB 4.000 . 5.000 3.362 2.666 3.888 . 0 0 "[ . 1 . 2]" 1
400 1 41 LYS HG2 1 49 VAL MG2 4.000 . 5.000 4.034 2.705 5.009 0.009 19 0 "[ . 1 . 2]" 1
401 1 41 LYS HG3 1 49 VAL MG1 4.000 . 5.000 4.369 3.562 5.015 0.015 11 0 "[ . 1 . 2]" 1
402 1 41 LYS HG3 1 49 VAL MG2 4.000 . 5.000 3.301 2.444 4.772 . 0 0 "[ . 1 . 2]" 1
403 1 42 ARG H 1 43 GLU H 3.000 . 3.500 2.729 2.510 2.937 . 0 0 "[ . 1 . 2]" 1
404 1 42 ARG H 1 44 GLY H 4.000 . 5.000 3.850 3.573 4.049 . 0 0 "[ . 1 . 2]" 1
405 1 42 ARG HA 1 43 GLU H 4.000 . 5.000 3.554 3.532 3.589 . 0 0 "[ . 1 . 2]" 1
406 1 42 ARG HA 1 44 GLY H 4.000 . 5.000 4.193 3.760 4.627 . 0 0 "[ . 1 . 2]" 1
407 1 43 GLU H 1 43 GLU HA 3.000 . 3.500 2.876 2.842 2.909 . 0 0 "[ . 1 . 2]" 1
408 1 43 GLU H 1 44 GLY H 3.000 . 3.500 2.481 2.320 2.613 . 0 0 "[ . 1 . 2]" 1
409 1 43 GLU H 1 45 TYR H 4.000 . 5.000 4.152 3.865 4.533 . 0 0 "[ . 1 . 2]" 1
410 1 43 GLU HA 1 44 GLY H 4.000 . 5.000 3.396 3.151 3.537 . 0 0 "[ . 1 . 2]" 1
411 1 43 GLU HB2 1 45 TYR QD 4.000 . 5.000 2.990 2.208 4.144 . 0 0 "[ . 1 . 2]" 1
412 1 43 GLU HB3 1 45 TYR QD 4.000 . 5.000 3.531 2.173 4.299 . 0 0 "[ . 1 . 2]" 1
413 1 43 GLU HB2 1 45 TYR QE 4.000 . 5.000 2.596 1.795 3.564 0.005 19 0 "[ . 1 . 2]" 1
414 1 43 GLU HB3 1 45 TYR QE 4.000 . 5.000 2.847 2.132 3.374 . 0 0 "[ . 1 . 2]" 1
415 1 43 GLU QG 1 45 TYR QE 4.000 . 5.000 2.815 2.164 3.535 . 0 0 "[ . 1 . 2]" 1
416 1 44 GLY H 1 45 TYR H 3.000 . 3.500 2.410 2.043 2.777 . 0 0 "[ . 1 . 2]" 1
417 1 44 GLY H 1 46 ILE H 4.000 . 5.000 4.184 3.880 4.525 . 0 0 "[ . 1 . 2]" 1
418 1 44 GLY QA 1 45 TYR H 3.000 . 3.500 2.697 2.572 2.802 . 0 0 "[ . 1 . 2]" 1
419 1 44 GLY QA 1 46 ILE H 4.000 . 5.000 3.580 3.274 3.919 . 0 0 "[ . 1 . 2]" 1
420 1 45 TYR H 1 46 ILE H 2.500 . 2.900 2.268 2.066 2.500 . 0 0 "[ . 1 . 2]" 1
421 1 45 TYR HA 1 46 ILE H 4.000 . 5.000 3.507 3.460 3.554 . 0 0 "[ . 1 . 2]" 1
422 1 45 TYR HA 1 66 THR H 4.000 . 5.000 3.898 3.582 4.320 . 0 0 "[ . 1 . 2]" 1
423 1 45 TYR HA 1 66 THR MG 4.000 . 5.000 3.753 3.251 4.424 . 0 0 "[ . 1 . 2]" 1
424 1 45 TYR HA 1 69 GLY H 3.000 . 3.500 2.945 2.662 3.205 . 0 0 "[ . 1 . 2]" 1
425 1 45 TYR HA 1 69 GLY QA 4.000 . 5.000 2.947 2.417 3.500 . 0 0 "[ . 1 . 2]" 1
426 1 45 TYR QB 1 46 ILE H 4.000 . 5.000 2.709 2.467 2.935 . 0 0 "[ . 1 . 2]" 1
427 1 45 TYR HB2 1 46 ILE MG 4.000 . 5.000 3.629 2.856 4.013 . 0 0 "[ . 1 . 2]" 1
428 1 45 TYR HB3 1 46 ILE MG 4.000 . 5.000 3.227 2.659 3.552 . 0 0 "[ . 1 . 2]" 1
429 1 45 TYR QB 1 68 LYS QB 4.000 . 5.000 4.638 3.892 5.012 0.012 20 0 "[ . 1 . 2]" 1
430 1 45 TYR QD 1 68 LYS QB 4.000 . 5.000 3.576 2.647 4.279 . 0 0 "[ . 1 . 2]" 1
431 1 45 TYR QD 1 72 TYR QB 4.000 . 5.000 3.140 2.754 3.699 . 0 0 "[ . 1 . 2]" 1
432 1 45 TYR QD 1 72 TYR QD 4.000 . 5.000 4.150 3.408 4.655 . 0 0 "[ . 1 . 2]" 1
433 1 45 TYR QE 1 72 TYR QB 4.000 . 5.000 2.672 2.223 3.272 . 0 0 "[ . 1 . 2]" 1
434 1 46 ILE HA 1 47 ILE H 3.000 . 3.500 2.279 2.204 2.368 . 0 0 "[ . 1 . 2]" 1
435 1 46 ILE HA 1 47 ILE HA 4.000 . 5.000 4.435 4.408 4.459 . 0 0 "[ . 1 . 2]" 1
436 1 46 ILE HA 1 65 LEU HA 3.000 . 3.500 2.403 2.253 2.586 . 0 0 "[ . 1 . 2]" 1
437 1 46 ILE HA 1 66 THR H 4.000 . 5.000 2.846 2.523 3.174 . 0 0 "[ . 1 . 2]" 1
438 1 46 ILE HB 1 47 ILE MG 4.000 . 5.000 4.819 4.730 5.009 0.009 10 0 "[ . 1 . 2]" 1
439 1 46 ILE HB 1 66 THR MG 4.000 . 5.000 4.858 4.551 5.017 0.017 1 0 "[ . 1 . 2]" 1
440 1 46 ILE QG 1 49 VAL MG2 4.000 . 5.000 3.318 2.111 3.953 . 0 0 "[ . 1 . 2]" 1
441 1 46 ILE MG 1 65 LEU QB 4.000 . 5.000 3.279 3.015 3.645 . 0 0 "[ . 1 . 2]" 1
442 1 46 ILE MG 1 65 LEU HG 4.000 . 5.000 1.962 1.785 2.722 0.015 8 0 "[ . 1 . 2]" 1
443 1 46 ILE MG 1 65 LEU MD1 4.000 . 5.000 2.771 1.860 3.276 . 0 0 "[ . 1 . 2]" 1
444 1 46 ILE MD 1 49 VAL MG2 4.000 . 5.000 2.318 1.777 3.571 0.023 11 0 "[ . 1 . 2]" 1
445 1 46 ILE MD 1 66 THR MG 4.000 . 5.000 4.922 4.692 5.013 0.013 9 0 "[ . 1 . 2]" 1
446 1 47 ILE H 1 48 GLY H 4.000 . 5.000 4.428 4.390 4.465 . 0 0 "[ . 1 . 2]" 1
447 1 47 ILE H 1 64 GLU H 4.000 . 5.000 2.892 2.670 3.114 . 0 0 "[ . 1 . 2]" 1
448 1 47 ILE H 1 65 LEU HA 4.000 . 5.000 3.648 3.378 3.870 . 0 0 "[ . 1 . 2]" 1
449 1 47 ILE H 1 66 THR H 4.000 . 5.000 4.536 4.209 4.997 . 0 0 "[ . 1 . 2]" 1
450 1 47 ILE HA 1 48 GLY H 3.000 . 3.500 2.492 2.293 2.642 . 0 0 "[ . 1 . 2]" 1
451 1 47 ILE HA 1 48 GLY QA 4.000 . 5.000 4.095 4.004 4.166 . 0 0 "[ . 1 . 2]" 1
452 1 47 ILE HA 1 49 VAL H 4.000 . 5.000 3.210 2.994 3.567 . 0 0 "[ . 1 . 2]" 1
453 1 47 ILE HB 1 66 THR MG 4.000 . 5.000 4.670 4.264 5.006 0.006 1 0 "[ . 1 . 2]" 1
454 1 47 ILE QG 1 64 GLU HB2 4.000 . 5.000 2.466 1.800 3.598 0.000 9 0 "[ . 1 . 2]" 1
455 1 47 ILE QG 1 64 GLU HB3 4.000 . 5.000 3.712 3.131 4.416 . 0 0 "[ . 1 . 2]" 1
456 1 47 ILE QG 1 64 GLU QG 4.000 . 5.000 3.794 2.721 5.007 0.007 10 0 "[ . 1 . 2]" 1
457 1 47 ILE MG 1 66 THR MG 4.000 . 5.000 2.362 2.096 2.595 . 0 0 "[ . 1 . 2]" 1
458 1 47 ILE MD 1 64 GLU HB2 4.000 . 5.000 2.552 2.139 3.669 . 0 0 "[ . 1 . 2]" 1
459 1 47 ILE MD 1 64 GLU HB3 4.000 . 5.000 3.101 2.464 3.810 . 0 0 "[ . 1 . 2]" 1
460 1 47 ILE MD 1 64 GLU QG 4.000 . 5.000 3.825 2.913 4.515 . 0 0 "[ . 1 . 2]" 1
461 1 47 ILE MD 1 66 THR MG 4.000 . 5.000 2.374 1.873 3.511 . 0 0 "[ . 1 . 2]" 1
462 1 48 GLY H 1 48 GLY HA2 3.000 . 3.500 2.345 2.309 2.383 . 0 0 "[ . 1 . 2]" 1
463 1 48 GLY H 1 48 GLY HA3 3.000 . 3.500 2.912 2.865 2.939 . 0 0 "[ . 1 . 2]" 1
464 1 48 GLY H 1 49 VAL H 3.000 . 3.500 2.353 2.196 2.565 . 0 0 "[ . 1 . 2]" 1
465 1 48 GLY HA2 1 49 VAL H 4.000 . 5.000 3.116 2.846 3.308 . 0 0 "[ . 1 . 2]" 1
466 1 48 GLY HA3 1 49 VAL H 4.000 . 5.000 3.374 3.232 3.504 . 0 0 "[ . 1 . 2]" 1
467 1 48 GLY HA2 1 63 PRO HA 4.000 . 5.000 4.408 3.950 4.941 . 0 0 "[ . 1 . 2]" 1
468 1 48 GLY HA3 1 63 PRO HA 4.000 . 5.000 2.808 2.276 3.353 . 0 0 "[ . 1 . 2]" 1
469 1 48 GLY HA2 1 64 GLU H 4.000 . 5.000 4.881 4.634 5.009 0.009 16 0 "[ . 1 . 2]" 1
470 1 48 GLY HA3 1 64 GLU H 4.000 . 5.000 3.261 2.992 3.420 . 0 0 "[ . 1 . 2]" 1
471 1 49 VAL H 1 50 HIS H 4.000 . 5.000 4.464 4.370 4.588 . 0 0 "[ . 1 . 2]" 1
472 1 49 VAL HA 1 50 HIS H 3.000 . 3.500 2.149 2.109 2.199 . 0 0 "[ . 1 . 2]" 1
473 1 49 VAL HB 1 51 TYR QE 4.000 . 5.000 3.095 2.474 5.007 0.007 12 0 "[ . 1 . 2]" 1
474 1 49 VAL MG1 1 51 TYR QD 4.000 . 5.000 3.327 2.332 3.878 . 0 0 "[ . 1 . 2]" 1
475 1 49 VAL MG1 1 51 TYR QE 4.000 . 5.000 2.913 1.998 3.552 . 0 0 "[ . 1 . 2]" 1
476 1 49 VAL MG1 1 56 PRO QB 4.000 . 5.000 2.174 1.876 2.550 . 0 0 "[ . 1 . 2]" 1
477 1 49 VAL MG2 1 56 PRO QB 4.000 . 5.000 4.041 3.643 4.593 . 0 0 "[ . 1 . 2]" 1
478 1 49 VAL MG1 1 56 PRO HG2 4.000 . 5.000 4.236 3.633 4.619 . 0 0 "[ . 1 . 2]" 1
479 1 49 VAL MG1 1 56 PRO HG3 4.000 . 5.000 3.772 3.061 4.376 . 0 0 "[ . 1 . 2]" 1
480 1 49 VAL MG2 1 58 LEU HG 4.000 . 5.000 4.879 4.461 5.016 0.016 7 0 "[ . 1 . 2]" 1
481 1 49 VAL MG1 1 58 LEU MD2 4.000 . 5.000 2.474 1.990 3.373 . 0 0 "[ . 1 . 2]" 1
482 1 49 VAL MG2 1 58 LEU MD2 4.000 . 5.000 2.661 2.224 3.040 . 0 0 "[ . 1 . 2]" 1
483 1 49 VAL MG2 1 63 PRO QB 4.000 . 5.000 3.362 2.330 4.448 . 0 0 "[ . 1 . 2]" 1
484 1 50 HIS H 1 51 TYR H 4.000 . 5.000 4.390 4.272 4.549 . 0 0 "[ . 1 . 2]" 1
485 1 50 HIS H 1 58 LEU MD2 4.000 . 5.000 3.414 2.166 4.186 . 0 0 "[ . 1 . 2]" 1
486 1 50 HIS HA 1 51 TYR H 3.000 . 3.500 2.143 2.099 2.281 . 0 0 "[ . 1 . 2]" 1
487 1 50 HIS QB 1 57 HIS HB2 4.000 . 5.000 3.638 2.503 4.879 . 0 0 "[ . 1 . 2]" 1
488 1 50 HIS QB 1 57 HIS HB3 4.000 . 5.000 4.499 3.511 5.031 0.031 20 0 "[ . 1 . 2]" 1
489 1 50 HIS HB2 1 59 TYR QD 4.000 . 5.000 3.140 1.909 4.743 . 0 0 "[ . 1 . 2]" 1
490 1 50 HIS HB3 1 59 TYR QD 4.000 . 5.000 3.578 2.235 5.023 0.023 2 0 "[ . 1 . 2]" 1
491 1 50 HIS HB2 1 59 TYR QE 4.000 . 5.000 3.136 1.850 5.005 0.005 3 0 "[ . 1 . 2]" 1
492 1 50 HIS HB3 1 59 TYR QE 4.000 . 5.000 2.864 1.845 3.654 . 0 0 "[ . 1 . 2]" 1
493 1 51 TYR H 1 51 TYR QB 3.000 . 3.500 2.399 2.219 2.539 . 0 0 "[ . 1 . 2]" 1
494 1 51 TYR H 1 52 SER H 4.000 . 5.000 4.487 4.370 4.588 . 0 0 "[ . 1 . 2]" 1
495 1 51 TYR HA 1 52 SER H 3.000 . 3.500 2.208 2.109 2.306 . 0 0 "[ . 1 . 2]" 1
496 1 51 TYR HA 1 56 PRO HA 4.000 . 5.000 2.453 1.782 3.549 0.018 16 0 "[ . 1 . 2]" 1
497 1 51 TYR HA 1 57 HIS H 4.000 . 5.000 3.117 2.586 3.728 . 0 0 "[ . 1 . 2]" 1
498 1 51 TYR QE 1 56 PRO HB3 4.000 . 5.000 3.117 2.047 4.125 . 0 0 "[ . 1 . 2]" 1
499 1 51 TYR QE 1 56 PRO QG 4.000 . 5.000 3.011 1.851 3.846 . 0 0 "[ . 1 . 2]" 1
500 1 51 TYR QE 1 56 PRO HD2 4.000 . 5.000 4.523 3.606 5.004 0.004 19 0 "[ . 1 . 2]" 1
501 1 51 TYR QE 1 56 PRO HD3 4.000 . 5.000 3.038 1.903 4.256 . 0 0 "[ . 1 . 2]" 1
502 1 52 SER H 1 54 ASP H 4.000 . 5.000 3.654 2.727 4.634 . 0 0 "[ . 1 . 2]" 1
503 1 52 SER H 1 55 ARG H 3.000 . 3.500 3.454 3.041 3.552 0.052 1 0 "[ . 1 . 2]" 1
504 1 52 SER H 1 56 PRO HA 4.000 . 5.000 3.867 2.819 5.025 0.025 14 0 "[ . 1 . 2]" 1
505 1 52 SER HA 1 53 ASP H 3.000 . 3.500 3.094 2.111 3.529 0.029 20 0 "[ . 1 . 2]" 1
506 1 52 SER HA 1 53 ASP HA 4.000 . 5.000 4.638 4.205 5.017 0.017 5 0 "[ . 1 . 2]" 1
507 1 52 SER HA 1 54 ASP H 4.000 . 5.000 4.645 3.859 5.068 0.068 14 0 "[ . 1 . 2]" 1
508 1 52 SER QB 1 53 ASP QB 4.000 . 5.000 3.877 3.334 4.457 . 0 0 "[ . 1 . 2]" 1
509 1 52 SER QB 1 57 HIS HD2 4.000 . 5.000 3.025 2.034 4.740 . 0 0 "[ . 1 . 2]" 1
510 1 53 ASP H 1 54 ASP H 4.000 . 5.000 2.888 1.782 4.301 0.018 20 0 "[ . 1 . 2]" 1
511 1 54 ASP H 1 54 ASP HA 2.500 . 3.000 2.793 2.270 2.941 . 0 0 "[ . 1 . 2]" 1
512 1 54 ASP H 1 55 ARG H 3.000 . 3.500 2.350 1.730 3.583 0.083 14 0 "[ . 1 . 2]" 1
513 1 54 ASP HA 1 55 ARG H 4.000 . 5.000 3.393 2.294 3.571 . 0 0 "[ . 1 . 2]" 1
514 1 55 ARG QB 1 56 PRO QD 4.000 . 5.000 2.481 1.791 3.666 0.009 1 0 "[ . 1 . 2]" 1
515 1 55 ARG QB 1 57 HIS HE1 4.000 . 5.000 4.701 3.955 5.018 0.018 9 0 "[ . 1 . 2]" 1
516 1 55 ARG HE 1 56 PRO QD 4.000 . 5.000 4.165 3.068 5.031 0.031 3 0 "[ . 1 . 2]" 1
517 1 56 PRO HA 1 57 HIS H 3.000 . 3.500 2.187 2.128 2.273 . 0 0 "[ . 1 . 2]" 1
518 1 56 PRO QB 1 58 LEU MD1 4.000 . 5.000 4.639 3.980 5.017 0.017 4 0 "[ . 1 . 2]" 1
519 1 57 HIS H 1 58 LEU H 4.000 . 5.000 4.028 2.119 4.407 . 0 0 "[ . 1 . 2]" 1
520 1 57 HIS HA 1 58 LEU H 3.000 . 3.500 2.285 2.089 3.519 0.019 7 0 "[ . 1 . 2]" 1
521 1 57 HIS HA 1 58 LEU HG 4.000 . 5.000 3.948 3.517 4.636 . 0 0 "[ . 1 . 2]" 1
522 1 57 HIS HB2 1 59 TYR QE 4.000 . 5.000 3.321 2.505 4.705 . 0 0 "[ . 1 . 2]" 1
523 1 57 HIS HB3 1 59 TYR QE 4.000 . 5.000 3.392 2.558 4.582 . 0 0 "[ . 1 . 2]" 1
524 1 58 LEU HA 1 59 TYR H 3.000 . 3.500 2.188 2.112 2.328 . 0 0 "[ . 1 . 2]" 1
525 1 58 LEU HA 1 59 TYR HA 4.000 . 5.000 4.404 4.361 4.484 . 0 0 "[ . 1 . 2]" 1
526 1 58 LEU QB 1 63 PRO QB 4.000 . 5.000 4.218 2.926 5.005 0.005 7 0 "[ . 1 . 2]" 1
527 1 58 LEU QB 1 63 PRO QG 4.000 . 5.000 2.874 1.953 3.762 . 0 0 "[ . 1 . 2]" 1
528 1 58 LEU MD1 1 63 PRO QB 4.000 . 5.000 3.878 2.613 4.632 . 0 0 "[ . 1 . 2]" 1
529 1 58 LEU MD2 1 63 PRO QB 4.000 . 5.000 2.647 1.994 3.570 . 0 0 "[ . 1 . 2]" 1
530 1 58 LEU MD2 1 63 PRO QG 4.000 . 5.000 2.109 1.799 2.570 0.001 20 0 "[ . 1 . 2]" 1
531 1 58 LEU MD2 1 63 PRO HD2 4.000 . 5.000 4.437 3.601 4.992 . 0 0 "[ . 1 . 2]" 1
532 1 58 LEU MD2 1 63 PRO HD3 4.000 . 5.000 3.763 2.296 4.696 . 0 0 "[ . 1 . 2]" 1
533 1 59 TYR H 1 59 TYR HA 3.000 . 3.500 2.922 2.851 2.939 . 0 0 "[ . 1 . 2]" 1
534 1 59 TYR H 1 60 LYS H 4.000 . 5.000 4.401 4.282 4.601 . 0 0 "[ . 1 . 2]" 1
535 1 59 TYR HA 1 60 LYS H 3.000 . 3.500 2.634 2.482 2.786 . 0 0 "[ . 1 . 2]" 1
536 1 59 TYR HA 1 60 LYS HA 4.000 . 5.000 4.272 4.120 4.394 . 0 0 "[ . 1 . 2]" 1
537 1 59 TYR HA 1 61 LEU H 4.000 . 5.000 4.460 3.885 5.011 0.011 6 0 "[ . 1 . 2]" 1
538 1 59 TYR QB 1 60 LYS QB 4.000 . 5.000 3.879 3.556 4.323 . 0 0 "[ . 1 . 2]" 1
539 1 60 LYS H 1 61 LEU H 3.000 . 3.500 2.621 2.338 3.120 . 0 0 "[ . 1 . 2]" 1
540 1 60 LYS HA 1 61 LEU H 4.000 . 5.000 3.431 3.089 3.586 . 0 0 "[ . 1 . 2]" 1
541 1 61 LEU H 1 62 GLY H 4.000 . 5.000 4.127 2.451 4.440 . 0 0 "[ . 1 . 2]" 1
542 1 61 LEU HA 1 62 GLY H 2.500 . 2.900 2.221 2.147 2.721 . 0 0 "[ . 1 . 2]" 1
543 1 61 LEU HA 1 63 PRO QD 4.000 . 5.000 3.585 2.934 4.493 . 0 0 "[ . 1 . 2]" 1
544 1 63 PRO HA 1 64 GLU H 3.000 . 3.500 2.140 2.100 2.253 . 0 0 "[ . 1 . 2]" 1
545 1 63 PRO HA 1 64 GLU HA 4.000 . 5.000 4.397 4.366 4.448 . 0 0 "[ . 1 . 2]" 1
546 1 64 GLU H 1 65 LEU H 4.000 . 5.000 4.444 4.379 4.540 . 0 0 "[ . 1 . 2]" 1
547 1 64 GLU HA 1 65 LEU H 2.500 . 2.900 2.291 2.196 2.459 . 0 0 "[ . 1 . 2]" 1
548 1 64 GLU HA 1 65 LEU HA 4.000 . 5.000 4.367 4.329 4.406 . 0 0 "[ . 1 . 2]" 1
549 1 64 GLU QB 1 66 THR MG 4.000 . 5.000 4.415 3.960 4.894 . 0 0 "[ . 1 . 2]" 1
550 1 65 LEU H 1 66 THR H 4.000 . 5.000 4.541 4.479 4.600 . 0 0 "[ . 1 . 2]" 1
551 1 65 LEU HA 1 66 THR H 2.500 . 2.900 2.218 2.171 2.271 . 0 0 "[ . 1 . 2]" 1
552 1 65 LEU HB3 1 70 GLU QG 4.000 . 5.000 4.641 2.883 5.011 0.011 1 0 "[ . 1 . 2]" 1
553 1 65 LEU MD2 1 70 GLU HG3 4.000 . 5.000 4.703 3.860 5.023 0.023 1 0 "[ . 1 . 2]" 1
554 1 65 LEU MD1 1 73 LEU MD1 4.000 . 5.000 4.055 2.071 4.870 . 0 0 "[ . 1 . 2]" 1
555 1 65 LEU MD2 1 73 LEU MD1 4.000 . 5.000 2.258 1.914 2.950 . 0 0 "[ . 1 . 2]" 1
556 1 65 LEU MD2 1 73 LEU MD2 4.000 . 5.000 3.247 2.411 4.114 . 0 0 "[ . 1 . 2]" 1
557 1 66 THR H 1 67 GLU H 4.000 . 5.000 4.551 4.478 4.626 . 0 0 "[ . 1 . 2]" 1
558 1 66 THR H 1 68 LYS H 4.000 . 5.000 4.825 4.592 5.004 0.004 4 0 "[ . 1 . 2]" 1
559 1 66 THR H 1 69 GLY H 4.000 . 5.000 3.384 3.118 3.680 . 0 0 "[ . 1 . 2]" 1
560 1 66 THR H 1 70 GLU H 4.000 . 5.000 4.120 3.784 4.482 . 0 0 "[ . 1 . 2]" 1
561 1 66 THR HA 1 67 GLU H 3.000 . 3.500 2.485 2.394 2.553 . 0 0 "[ . 1 . 2]" 1
562 1 66 THR HA 1 67 GLU HA 4.000 . 5.000 4.376 4.327 4.431 . 0 0 "[ . 1 . 2]" 1
563 1 66 THR HA 1 67 GLU QB 4.000 . 5.000 4.391 4.234 4.769 . 0 0 "[ . 1 . 2]" 1
564 1 66 THR HA 1 68 LYS H 4.000 . 5.000 4.249 3.915 4.464 . 0 0 "[ . 1 . 2]" 1
565 1 66 THR HA 1 69 GLY H 4.000 . 5.000 4.566 4.384 4.781 . 0 0 "[ . 1 . 2]" 1
566 1 66 THR HG1 1 68 LYS HB2 4.000 . 5.000 3.587 2.573 4.685 . 0 0 "[ . 1 . 2]" 1
567 1 66 THR HG1 1 68 LYS HB3 4.000 . 5.000 2.529 2.104 3.101 . 0 0 "[ . 1 . 2]" 1
568 1 66 THR MG 1 68 LYS HB2 4.000 . 5.000 4.711 4.113 5.017 0.017 1 0 "[ . 1 . 2]" 1
569 1 66 THR MG 1 68 LYS HB3 4.000 . 5.000 4.166 3.741 4.747 . 0 0 "[ . 1 . 2]" 1
570 1 67 GLU H 1 68 LYS H 3.000 . 3.500 2.617 2.456 2.776 . 0 0 "[ . 1 . 2]" 1
571 1 67 GLU H 1 69 GLY H 4.000 . 5.000 4.285 4.024 4.507 . 0 0 "[ . 1 . 2]" 1
572 1 67 GLU H 1 70 GLU H 4.000 . 5.000 4.664 4.463 5.013 0.013 16 0 "[ . 1 . 2]" 1
573 1 67 GLU HA 1 70 GLU QB 4.000 . 5.000 2.468 1.821 2.944 . 0 0 "[ . 1 . 2]" 1
574 1 67 GLU HA 1 70 GLU HG2 4.000 . 5.000 4.849 4.058 5.027 0.027 9 0 "[ . 1 . 2]" 1
575 1 67 GLU HA 1 71 ASN H 4.000 . 5.000 3.792 3.320 4.282 . 0 0 "[ . 1 . 2]" 1
576 1 67 GLU HA 1 71 ASN QD 4.000 . 5.000 3.478 2.560 4.670 . 0 0 "[ . 1 . 2]" 1
577 1 67 GLU QB 1 71 ASN HD21 4.000 . 5.000 3.941 2.535 4.903 . 0 0 "[ . 1 . 2]" 1
578 1 67 GLU QB 1 71 ASN HD22 4.000 . 5.000 4.111 2.762 4.925 . 0 0 "[ . 1 . 2]" 1
579 1 67 GLU HG2 1 71 ASN HD21 4.000 . 5.000 3.618 2.175 5.024 0.024 7 0 "[ . 1 . 2]" 1
580 1 67 GLU HG2 1 71 ASN HD22 4.000 . 5.000 3.529 2.327 5.013 0.013 18 0 "[ . 1 . 2]" 1
581 1 67 GLU HG3 1 71 ASN HD21 4.000 . 5.000 3.377 2.238 5.019 0.019 3 0 "[ . 1 . 2]" 1
582 1 67 GLU HG3 1 71 ASN HD22 4.000 . 5.000 3.146 2.165 4.503 . 0 0 "[ . 1 . 2]" 1
583 1 68 LYS H 1 68 LYS HA 3.000 . 3.500 2.800 2.755 2.838 . 0 0 "[ . 1 . 2]" 1
584 1 68 LYS H 1 70 GLU H 4.000 . 5.000 4.064 3.777 4.354 . 0 0 "[ . 1 . 2]" 1
585 1 68 LYS H 1 71 ASN H 4.000 . 5.000 4.772 4.575 5.007 0.007 10 0 "[ . 1 . 2]" 1
586 1 68 LYS HA 1 69 GLY H 4.000 . 5.000 3.556 3.532 3.573 . 0 0 "[ . 1 . 2]" 1
587 1 68 LYS HA 1 71 ASN H 4.000 . 5.000 3.873 3.542 4.311 . 0 0 "[ . 1 . 2]" 1
588 1 69 GLY H 1 69 GLY HA2 3.000 . 3.500 2.847 2.805 2.872 . 0 0 "[ . 1 . 2]" 1
589 1 69 GLY H 1 69 GLY HA3 3.000 . 3.500 2.301 2.294 2.310 . 0 0 "[ . 1 . 2]" 1
590 1 69 GLY H 1 70 GLU H 3.000 . 3.500 2.599 2.473 2.769 . 0 0 "[ . 1 . 2]" 1
591 1 69 GLY H 1 71 ASN H 4.000 . 5.000 4.246 4.052 4.452 . 0 0 "[ . 1 . 2]" 1
592 1 69 GLY HA2 1 70 GLU H 4.000 . 5.000 3.528 3.499 3.552 . 0 0 "[ . 1 . 2]" 1
593 1 69 GLY HA3 1 70 GLU H 4.000 . 5.000 2.823 2.733 2.903 . 0 0 "[ . 1 . 2]" 1
594 1 69 GLY QA 1 70 GLU HA 4.000 . 5.000 4.027 3.990 4.067 . 0 0 "[ . 1 . 2]" 1
595 1 69 GLY HA2 1 72 TYR H 4.000 . 5.000 3.374 3.087 3.600 . 0 0 "[ . 1 . 2]" 1
596 1 69 GLY HA3 1 72 TYR H 4.000 . 5.000 4.509 4.326 4.693 . 0 0 "[ . 1 . 2]" 1
597 1 69 GLY QA 1 72 TYR QB 4.000 . 5.000 2.405 2.118 2.708 . 0 0 "[ . 1 . 2]" 1
598 1 69 GLY QA 1 72 TYR QD 4.000 . 5.000 3.868 3.185 4.387 . 0 0 "[ . 1 . 2]" 1
599 1 70 GLU H 1 71 ASN H 3.000 . 3.500 2.718 2.625 2.843 . 0 0 "[ . 1 . 2]" 1
600 1 70 GLU H 1 72 TYR H 4.000 . 5.000 3.915 3.734 4.100 . 0 0 "[ . 1 . 2]" 1
601 1 70 GLU HA 1 71 ASN H 4.000 . 5.000 3.550 3.515 3.570 . 0 0 "[ . 1 . 2]" 1
602 1 70 GLU HA 1 71 ASN HA 4.000 . 5.000 4.723 4.655 4.811 . 0 0 "[ . 1 . 2]" 1
603 1 70 GLU HA 1 73 LEU H 4.000 . 5.000 3.563 3.283 3.756 . 0 0 "[ . 1 . 2]" 1
604 1 70 GLU HA 1 73 LEU MD1 4.000 . 5.000 2.290 1.873 2.964 . 0 0 "[ . 1 . 2]" 1
605 1 70 GLU QB 1 71 ASN HD22 4.000 . 5.000 4.177 3.707 5.017 0.017 19 0 "[ . 1 . 2]" 1
606 1 70 GLU QG 1 73 LEU MD1 4.000 . 5.000 3.187 2.405 4.154 . 0 0 "[ . 1 . 2]" 1
607 1 71 ASN H 1 72 TYR H 3.000 . 3.500 2.512 2.382 2.706 . 0 0 "[ . 1 . 2]" 1
608 1 71 ASN H 1 73 LEU H 4.000 . 5.000 4.090 3.910 4.299 . 0 0 "[ . 1 . 2]" 1
609 1 71 ASN HA 1 72 TYR H 4.000 . 5.000 3.480 3.439 3.531 . 0 0 "[ . 1 . 2]" 1
610 1 71 ASN HA 1 72 TYR HA 4.000 . 5.000 4.785 4.718 4.833 . 0 0 "[ . 1 . 2]" 1
611 1 71 ASN HA 1 73 LEU QB 4.000 . 5.000 4.560 4.198 4.878 . 0 0 "[ . 1 . 2]" 1
612 1 71 ASN HA 1 74 LYS H 4.000 . 5.000 3.392 3.085 4.009 . 0 0 "[ . 1 . 2]" 1
613 1 71 ASN QB 1 74 LYS QB 4.000 . 5.000 4.106 3.656 4.705 . 0 0 "[ . 1 . 2]" 1
614 1 72 TYR H 1 73 LEU H 3.000 . 3.500 2.584 2.430 2.711 . 0 0 "[ . 1 . 2]" 1
615 1 72 TYR H 1 74 LYS H 4.000 . 5.000 4.119 3.809 4.278 . 0 0 "[ . 1 . 2]" 1
616 1 72 TYR HA 1 73 LEU H 4.000 . 5.000 3.501 3.449 3.542 . 0 0 "[ . 1 . 2]" 1
617 1 72 TYR HA 1 73 LEU HA 4.000 . 5.000 4.834 4.756 4.889 . 0 0 "[ . 1 . 2]" 1
618 1 72 TYR HA 1 75 GLU H 4.000 . 5.000 3.667 3.013 4.609 . 0 0 "[ . 1 . 2]" 1
619 1 72 TYR QD 1 73 LEU MD2 4.000 . 5.000 3.487 2.788 4.297 . 0 0 "[ . 1 . 2]" 1
620 1 72 TYR QD 1 76 ASN QB 4.000 . 5.000 3.972 3.085 5.029 0.029 10 0 "[ . 1 . 2]" 1
621 1 73 LEU H 1 74 LYS H 3.000 . 3.500 2.680 2.547 2.771 . 0 0 "[ . 1 . 2]" 1
622 1 73 LEU HA 1 74 LYS H 4.000 . 5.000 3.485 3.409 3.539 . 0 0 "[ . 1 . 2]" 1
623 1 73 LEU HA 1 76 ASN H 4.000 . 5.000 3.586 2.818 4.112 . 0 0 "[ . 1 . 2]" 1
624 1 73 LEU HA 1 77 GLY H 4.000 . 5.000 4.300 3.834 4.764 . 0 0 "[ . 1 . 2]" 1
625 1 73 LEU QB 1 74 LYS QB 4.000 . 5.000 4.211 3.746 4.862 . 0 0 "[ . 1 . 2]" 1
626 1 74 LYS H 1 75 GLU H 3.000 . 3.500 2.723 2.521 3.079 . 0 0 "[ . 1 . 2]" 1
627 1 74 LYS H 1 76 ASN H 4.000 . 5.000 4.178 3.806 4.620 . 0 0 "[ . 1 . 2]" 1
628 1 74 LYS HA 1 75 GLU H 4.000 . 5.000 3.538 3.495 3.586 . 0 0 "[ . 1 . 2]" 1
629 1 74 LYS QB 1 75 GLU HG2 4.000 . 5.000 3.726 2.581 5.002 0.002 14 0 "[ . 1 . 2]" 1
630 1 74 LYS QB 1 75 GLU HG3 4.000 . 5.000 4.014 2.985 5.003 0.003 4 0 "[ . 1 . 2]" 1
631 1 75 GLU H 1 75 GLU HA 3.000 . 3.500 2.868 2.818 2.899 . 0 0 "[ . 1 . 2]" 1
632 1 75 GLU H 1 75 GLU QB 3.000 . 3.500 2.470 2.333 2.761 . 0 0 "[ . 1 . 2]" 1
633 1 75 GLU H 1 76 ASN H 4.000 . 5.000 2.512 2.276 2.753 . 0 0 "[ . 1 . 2]" 1
634 1 75 GLU H 1 77 GLY H 4.000 . 5.000 3.782 3.576 4.111 . 0 0 "[ . 1 . 2]" 1
635 1 75 GLU HA 1 76 ASN H 4.000 . 5.000 3.519 3.396 3.566 . 0 0 "[ . 1 . 2]" 1
636 1 75 GLU HA 1 76 ASN HA 4.000 . 5.000 4.648 4.548 4.832 . 0 0 "[ . 1 . 2]" 1
637 1 75 GLU HA 1 77 GLY H 4.000 . 5.000 3.790 3.428 3.989 . 0 0 "[ . 1 . 2]" 1
638 1 75 GLU QB 1 78 THR MG 4.000 . 5.000 4.694 3.645 5.037 0.037 20 0 "[ . 1 . 2]" 1
639 1 76 ASN H 1 77 GLY H 4.000 . 5.000 2.479 2.345 2.632 . 0 0 "[ . 1 . 2]" 1
640 1 76 ASN HA 1 77 GLY H 4.000 . 5.000 3.243 3.179 3.439 . 0 0 "[ . 1 . 2]" 1
641 1 76 ASN HA 1 79 TRP QB 4.000 . 5.000 4.179 2.153 5.088 0.088 16 0 "[ . 1 . 2]" 1
642 1 77 GLY H 1 77 GLY HA2 3.000 . 3.500 2.785 2.724 2.828 . 0 0 "[ . 1 . 2]" 1
643 1 77 GLY H 1 78 THR H 4.000 . 5.000 2.806 2.650 2.979 . 0 0 "[ . 1 . 2]" 1
644 1 77 GLY HA3 1 78 THR H 4.000 . 5.000 3.085 2.794 3.277 . 0 0 "[ . 1 . 2]" 1
645 1 78 THR HA 1 79 TRP H 4.000 . 5.000 3.251 2.207 3.595 . 0 0 "[ . 1 . 2]" 1
646 1 78 THR HB 1 79 TRP H 4.000 . 5.000 4.044 3.350 4.607 . 0 0 "[ . 1 . 2]" 1
647 1 78 THR MG 1 79 TRP H 4.000 . 5.000 2.608 1.761 4.264 0.039 6 0 "[ . 1 . 2]" 1
648 1 79 TRP HA 1 80 SER H 3.000 . 3.500 2.540 2.091 3.539 0.039 16 0 "[ . 1 . 2]" 1
649 1 79 TRP HB2 1 80 SER H 4.000 . 5.000 4.024 3.424 4.645 . 0 0 "[ . 1 . 2]" 1
650 1 79 TRP HB3 1 80 SER H 4.000 . 5.000 3.596 2.032 4.453 . 0 0 "[ . 1 . 2]" 1
651 1 79 TRP HD1 1 80 SER H 4.000 . 5.000 3.340 1.794 4.961 0.006 14 0 "[ . 1 . 2]" 1
652 1 80 SER H 1 80 SER QB 3.000 . 3.500 2.906 2.272 3.407 . 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 36
_Distance_constraint_stats_list.Viol_count 54
_Distance_constraint_stats_list.Viol_total 13.677
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0127
_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 6 LEU 0.101 0.056 4 0 "[ . 1 . 2]"
1 10 ILE 0.111 0.056 4 0 "[ . 1 . 2]"
1 11 LEU 0.012 0.008 10 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.005 0.005 8 0 "[ . 1 . 2]"
1 14 ILE 0.010 0.009 4 0 "[ . 1 . 2]"
1 15 PHE 0.012 0.008 10 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.005 0.005 8 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 0.086 0.021 9 0 "[ . 1 . 2]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.123 0.021 9 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 0.037 0.015 15 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.003 0.003 20 0 "[ . 1 . 2]"
1 68 LYS 0.082 0.018 18 0 "[ . 1 . 2]"
1 69 GLY 0.034 0.010 10 0 "[ . 1 . 2]"
1 71 ASN 0.003 0.003 20 0 "[ . 1 . 2]"
1 72 TYR 0.082 0.018 18 0 "[ . 1 . 2]"
1 73 LEU 0.348 0.034 20 0 "[ . 1 . 2]"
1 77 GLY 0.314 0.034 20 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 6 LEU O 1 10 ILE N 2.800 2.400 3.300 3.020 2.747 3.262 . 0 0 "[ . 1 . 2]" 2
2 1 6 LEU O 1 10 ILE H 1.800 . 2.300 2.082 1.769 2.356 0.056 4 0 "[ . 1 . 2]" 2
3 1 10 ILE O 1 14 ILE N 2.800 2.400 3.300 2.962 2.768 3.252 . 0 0 "[ . 1 . 2]" 2
4 1 10 ILE O 1 14 ILE H 1.800 . 2.300 2.049 1.831 2.309 0.009 4 0 "[ . 1 . 2]" 2
5 1 11 LEU O 1 15 PHE N 2.800 2.400 3.300 2.926 2.710 3.213 . 0 0 "[ . 1 . 2]" 2
6 1 11 LEU O 1 15 PHE H 1.800 . 2.300 2.037 1.762 2.308 0.008 10 0 "[ . 1 . 2]" 2
7 1 12 LYS O 1 16 GLU N 2.800 2.400 3.300 2.855 2.641 3.237 . 0 0 "[ . 1 . 2]" 2
8 1 12 LYS O 1 16 GLU H 1.800 . 2.300 1.910 1.673 2.278 . 0 0 "[ . 1 . 2]" 2
9 1 13 GLU O 1 17 GLY N 2.800 2.400 3.300 2.859 2.675 3.140 . 0 0 "[ . 1 . 2]" 2
10 1 13 GLU O 1 17 GLY H 1.800 . 2.300 2.089 1.781 2.305 0.005 8 0 "[ . 1 . 2]" 2
11 1 30 GLU O 1 34 ASP N 2.800 2.400 3.300 2.770 2.593 2.974 . 0 0 "[ . 1 . 2]" 2
12 1 30 GLU O 1 34 ASP H 1.800 . 2.300 1.805 1.608 2.001 . 0 0 "[ . 1 . 2]" 2
13 1 31 ASP O 1 35 ASP N 2.800 2.400 3.300 3.073 2.851 3.280 . 0 0 "[ . 1 . 2]" 2
14 1 31 ASP O 1 35 ASP H 1.800 . 2.300 2.133 1.909 2.321 0.021 9 0 "[ . 1 . 2]" 2
15 1 32 GLN O 1 36 ALA N 2.800 2.400 3.300 2.903 2.748 3.093 . 0 0 "[ . 1 . 2]" 2
16 1 32 GLN O 1 36 ALA H 1.800 . 2.300 1.988 1.850 2.148 . 0 0 "[ . 1 . 2]" 2
17 1 33 PHE O 1 37 VAL N 2.800 2.400 3.300 2.898 2.761 3.100 . 0 0 "[ . 1 . 2]" 2
18 1 33 PHE O 1 37 VAL H 1.800 . 2.300 1.926 1.777 2.139 . 0 0 "[ . 1 . 2]" 2
19 1 34 ASP O 1 38 ASN N 2.800 2.400 3.300 2.959 2.713 3.124 . 0 0 "[ . 1 . 2]" 2
20 1 34 ASP O 1 38 ASN H 1.800 . 2.300 2.004 1.789 2.167 . 0 0 "[ . 1 . 2]" 2
21 1 35 ASP O 1 39 PHE N 2.800 2.400 3.300 3.054 2.860 3.266 . 0 0 "[ . 1 . 2]" 2
22 1 35 ASP O 1 39 PHE H 1.800 . 2.300 2.134 1.917 2.315 0.015 15 0 "[ . 1 . 2]" 2
23 1 36 ALA O 1 40 LEU N 2.800 2.400 3.300 2.792 2.653 2.942 . 0 0 "[ . 1 . 2]" 2
24 1 36 ALA O 1 40 LEU H 1.800 . 2.300 1.844 1.705 2.034 . 0 0 "[ . 1 . 2]" 2
25 1 37 VAL O 1 41 LYS N 2.800 2.400 3.300 2.899 2.723 3.081 . 0 0 "[ . 1 . 2]" 2
26 1 37 VAL O 1 41 LYS H 1.800 . 2.300 1.983 1.832 2.150 . 0 0 "[ . 1 . 2]" 2
27 1 38 ASN O 1 42 ARG N 2.800 2.400 3.300 2.905 2.740 3.068 . 0 0 "[ . 1 . 2]" 2
28 1 38 ASN O 1 42 ARG H 1.800 . 2.300 2.055 1.842 2.267 . 0 0 "[ . 1 . 2]" 2
29 1 67 GLU O 1 71 ASN N 2.800 2.400 3.300 2.908 2.645 3.199 . 0 0 "[ . 1 . 2]" 2
30 1 67 GLU O 1 71 ASN H 1.800 . 2.300 1.964 1.697 2.303 0.003 20 0 "[ . 1 . 2]" 2
31 1 68 LYS O 1 72 TYR N 2.800 2.400 3.300 3.046 2.660 3.310 0.010 5 0 "[ . 1 . 2]" 2
32 1 68 LYS O 1 72 TYR H 1.800 . 2.400 2.232 1.849 2.418 0.018 18 0 "[ . 1 . 2]" 2
33 1 69 GLY O 1 73 LEU N 2.800 2.400 3.300 3.034 2.854 3.152 . 0 0 "[ . 1 . 2]" 2
34 1 69 GLY O 1 73 LEU H 1.800 . 2.300 2.194 2.027 2.310 0.010 10 0 "[ . 1 . 2]" 2
35 1 73 LEU O 1 77 GLY N 2.800 2.400 3.300 2.874 2.756 3.185 . 0 0 "[ . 1 . 2]" 2
36 1 73 LEU O 1 77 GLY H 1.800 . 2.400 2.416 2.404 2.434 0.034 20 0 "[ . 1 . 2]" 2
stop_
save_
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