NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
390296 |
1o8t   |
5534 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1o8t
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 236
_Distance_constraint_stats_list.Viol_count 3365
_Distance_constraint_stats_list.Viol_total 32693.225
_Distance_constraint_stats_list.Viol_max 0.394
_Distance_constraint_stats_list.Viol_rms 0.0738
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0300
_Distance_constraint_stats_list.Viol_average_violations_only 0.1429
_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 3 GLN 2.302 0.237 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 5 GLN 2.302 0.237 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 6 GLN 2.736 0.243 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 7 ASP 4.694 0.243 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 8 GLU 1.958 0.140 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 9 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 13 THR 0.120 0.067 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 16 THR 0.120 0.067 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 18 VAL 1.507 0.051 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 19 LYS 11.255 0.190 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 20 GLU 10.573 0.167 62 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 21 SER 20.338 0.190 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 23 SER 10.511 0.181 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 24 SER 2.420 0.073 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 25 TYR 10.555 0.181 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 26 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 27 GLU 19.892 0.345 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 28 SER 2.420 0.073 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 29 ALA 19.869 0.345 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 30 LYS 25.157 0.298 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 31 THR 36.482 0.342 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 32 ALA 29.253 0.298 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 33 ALA 58.346 0.342 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 34 GLN 5.982 0.127 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 35 ASN 40.321 0.289 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 36 LEU 28.286 0.364 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 37 TYR 29.269 0.392 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 38 GLU 43.995 0.364 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 39 LYS 0.028 0.011 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 40 THR 30.404 0.269 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 41 TYR 15.368 0.392 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 42 LEU 0.905 0.266 68 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 44 ALA 0.056 0.056 68 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 45 VAL 17.934 0.364 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 46 ASP 2.350 0.118 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 47 GLU 22.290 0.364 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 48 LYS 0.137 0.039 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 49 LEU 11.758 0.205 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 50 ARG 2.554 0.097 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 51 ASP 15.369 0.205 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 53 TYR 3.398 0.101 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 55 LYS 0.213 0.046 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 56 SER 11.517 0.205 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 57 THR 13.948 0.205 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 59 ALA 2.837 0.115 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 60 MET 0.021 0.020 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 61 SER 1.809 0.149 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 62 THR 17.296 0.226 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 63 TYR 35.142 0.394 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 64 THR 41.063 0.274 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 65 GLY 6.164 0.094 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 66 ILE 16.390 0.274 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 67 PHE 45.347 0.394 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 68 THR 14.530 0.237 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 69 ASP 33.416 0.272 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 70 GLN 6.149 0.132 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 71 VAL 24.849 0.389 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 72 LEU 18.872 0.238 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 73 SER 45.218 0.389 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 74 VAL 11.134 0.238 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 75 LEU 42.324 0.375 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 76 LYS 22.696 0.191 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 77 GLY 1.792 0.086 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 78 GLU 2.882 0.195 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
1 79 GLU 2.745 0.195 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]"
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 GLN H 1 5 GLN H 3.500 . 5.000 4.782 3.291 5.237 0.237 24 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
2 1 3 GLN HA 1 5 GLN H 3.500 . 5.000 4.346 3.172 5.086 0.086 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
3 1 6 GLN H 1 7 ASP H 3.500 . 5.000 3.608 2.567 4.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
4 1 6 GLN HA 1 7 ASP H 3.260 2.610 3.910 3.032 2.367 3.585 0.243 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
5 1 7 ASP HA 1 8 GLU H 2.800 2.180 3.420 2.585 2.146 3.560 0.140 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
6 1 8 GLU H 1 9 MET H 3.500 . 5.000 3.851 2.559 4.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
7 1 8 GLU HA 1 9 MET H 3.500 . 5.000 2.732 2.140 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
8 1 13 THR H 1 14 PHE H 3.500 . 5.000 4.035 2.544 4.632 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
9 1 13 THR HA 1 14 PHE H 3.500 . 5.000 2.491 2.130 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
10 1 13 THR HA 1 16 THR H 3.500 . 5.000 4.257 3.481 5.067 0.067 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
11 1 15 LEU H 1 16 THR H 2.860 2.240 3.480 2.728 2.634 2.903 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
12 1 15 LEU HA 1 16 THR H 3.500 . 5.000 3.551 3.488 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
13 1 18 VAL H 1 19 LYS H 3.950 3.240 4.660 3.220 3.189 3.266 0.051 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
14 1 18 VAL H 1 20 GLU H 3.500 . 5.000 4.800 4.635 5.031 0.031 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
15 1 18 VAL HA 1 19 LYS H 3.580 2.900 4.260 3.573 3.560 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
16 1 18 VAL HA 1 20 GLU H 3.500 . 5.000 4.701 4.363 4.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
17 1 18 VAL HA 1 21 SER H 3.500 . 5.000 3.429 3.312 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
18 1 18 VAL HA 1 22 LEU H 3.500 . 5.000 4.393 4.092 4.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
19 1 19 LYS H 1 20 GLU H 3.500 . 5.000 2.962 2.911 3.074 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
20 1 19 LYS HA 1 20 GLU H 3.590 2.910 4.270 3.566 3.553 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
21 1 19 LYS HA 1 21 SER H 3.390 2.730 4.050 4.194 4.150 4.240 0.190 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
22 1 19 LYS HA 1 22 LEU H 3.250 2.600 3.900 3.633 3.518 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
23 1 20 GLU HA 1 21 SER H 2.710 2.100 3.320 3.475 3.456 3.487 0.167 62 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
24 1 20 GLU HA 1 23 SER H 3.500 . 5.000 3.299 3.190 3.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
25 1 20 GLU HA 1 24 SER H 3.500 . 5.000 4.070 3.705 4.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
26 1 21 SER H 1 22 LEU H 2.860 2.240 3.480 2.666 2.634 2.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
27 1 21 SER HA 1 23 SER H 3.500 . 5.000 4.491 4.233 4.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
28 1 21 SER HA 1 24 SER H 3.500 . 5.000 3.868 3.672 4.099 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
29 1 21 SER HA 1 25 TYR H 3.500 . 5.000 4.650 4.416 5.017 0.017 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
30 1 22 LEU H 1 24 SER H 3.500 . 5.000 4.385 4.142 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
31 1 22 LEU HA 1 24 SER H 3.500 . 5.000 4.681 4.314 4.814 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
32 1 22 LEU HA 1 25 TYR H 3.500 . 5.000 3.377 3.301 3.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
33 1 22 LEU HA 1 26 TRP H 3.500 . 5.000 4.276 3.998 4.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
34 1 23 SER H 1 24 SER H 2.790 2.170 3.410 2.822 2.727 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
35 1 23 SER HA 1 24 SER H 3.570 2.890 4.250 3.562 3.537 3.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
36 1 23 SER HA 1 25 TYR H 3.100 2.460 3.740 3.895 3.851 3.921 0.181 11 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
37 1 24 SER H 1 25 TYR H 3.500 . 5.000 2.630 2.610 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
38 1 24 SER HA 1 25 TYR H 3.310 2.650 3.970 3.436 3.424 3.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
39 1 24 SER HA 1 28 SER H 3.500 . 5.000 5.025 4.530 5.073 0.073 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
40 1 25 TYR H 1 26 TRP H 2.670 2.060 3.280 2.477 2.391 2.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
41 1 25 TYR HA 1 26 TRP H 3.570 2.890 4.250 3.547 3.533 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
42 1 25 TYR HA 1 27 GLU H 3.690 3.000 4.380 4.322 4.249 4.390 0.010 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
43 1 25 TYR HA 1 28 SER H 3.500 . 5.000 4.042 3.930 4.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
44 1 26 TRP H 1 27 GLU H 2.960 2.330 3.590 2.641 2.617 2.665 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
45 1 26 TRP H 1 28 SER H 3.500 . 5.000 4.753 4.631 4.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
46 1 26 TRP HA 1 27 GLU H 2.970 2.340 3.600 3.514 3.471 3.528 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
47 1 26 TRP HA 1 28 SER H 3.500 . 5.000 4.559 4.407 4.683 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
48 1 26 TRP HA 1 29 ALA H 3.100 2.460 3.740 3.002 2.890 3.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
49 1 27 GLU H 1 28 SER H 3.500 . 5.000 3.092 3.043 3.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
50 1 27 GLU H 1 29 ALA H 2.810 2.190 3.430 3.722 3.691 3.775 0.345 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
51 1 27 GLU HA 1 28 SER H 3.500 . 5.000 3.562 3.553 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
52 1 27 GLU HA 1 29 ALA H 3.830 3.130 4.530 4.256 4.106 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
53 1 29 ALA H 1 30 LYS H 3.050 2.410 3.690 2.717 2.699 2.747 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
54 1 29 ALA HA 1 30 LYS H 3.350 2.690 4.010 3.525 3.468 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
55 1 29 ALA HA 1 32 ALA H 3.640 2.960 4.320 3.417 3.343 3.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
56 1 29 ALA HA 1 33 ALA H 3.500 . 5.000 4.681 4.429 5.004 0.004 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
57 1 30 LYS H 1 31 THR H 3.730 3.040 4.420 2.931 2.879 3.030 0.161 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
58 1 30 LYS H 1 32 ALA H 3.440 2.770 4.110 4.120 3.971 4.196 0.086 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
59 1 30 LYS HA 1 32 ALA H 3.210 2.560 3.860 4.101 4.037 4.158 0.298 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
60 1 31 THR H 1 32 ALA H 3.110 2.470 3.750 2.766 2.753 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
61 1 31 THR H 1 33 ALA H 3.310 2.650 3.970 4.276 4.249 4.312 0.342 2 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
62 1 31 THR HA 1 32 ALA H 3.600 2.920 4.280 3.515 3.504 3.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
63 1 31 THR HA 1 33 ALA H 3.500 . 5.000 4.400 4.254 4.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
64 1 31 THR HA 1 34 GLN H 3.500 . 5.000 3.732 3.622 3.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
65 1 31 THR HA 1 35 ASN H 3.440 2.770 4.110 4.232 4.193 4.261 0.151 25 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
66 1 32 ALA H 1 33 ALA H 3.520 2.850 4.190 2.681 2.669 2.690 0.181 54 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
67 1 32 ALA H 1 34 GLN H 3.500 . 5.000 4.542 4.392 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
68 1 32 ALA HA 1 33 ALA H 3.290 2.630 3.950 3.560 3.550 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
69 1 32 ALA HA 1 35 ASN H 3.090 2.450 3.730 3.296 3.223 3.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
70 1 32 ALA HA 1 36 LEU H 3.500 . 5.000 4.156 4.034 4.230 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
71 1 33 ALA H 1 34 GLN H 2.960 2.330 3.590 2.991 2.938 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
72 1 33 ALA H 1 35 ASN H 3.440 2.770 4.110 3.986 3.913 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
73 1 33 ALA HA 1 34 GLN H 3.500 . 5.000 3.563 3.555 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
74 1 33 ALA HA 1 35 ASN H 3.470 2.800 4.140 4.391 4.338 4.429 0.289 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
75 1 33 ALA HA 1 36 LEU H 3.250 2.600 3.900 3.539 3.484 3.648 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
76 1 33 ALA HA 1 37 TYR H 4.200 3.470 4.930 5.063 5.021 5.099 0.169 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
77 1 34 GLN H 1 35 ASN H 3.500 . 5.000 2.570 2.553 2.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
78 1 34 GLN H 1 36 LEU H 3.500 . 5.000 3.998 3.945 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
79 1 34 GLN HA 1 35 ASN H 3.500 2.830 4.170 3.516 3.503 3.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
80 1 34 GLN HA 1 36 LEU H 3.190 2.540 3.840 3.928 3.900 3.967 0.127 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
81 1 34 GLN HA 1 37 TYR H 3.170 2.520 3.820 3.478 3.359 3.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
82 1 34 GLN HA 1 38 GLU H 3.500 . 5.000 4.660 4.498 4.808 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
83 1 35 ASN H 1 36 LEU H 3.500 . 5.000 2.627 2.610 2.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
84 1 35 ASN HA 1 36 LEU H 3.110 2.470 3.750 3.459 3.448 3.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
85 1 35 ASN HA 1 37 TYR H 3.210 2.560 3.960 4.181 4.151 4.209 0.249 37 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
86 1 35 ASN HA 1 38 GLU H 3.030 2.400 3.660 2.852 2.811 2.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
87 1 36 LEU H 1 37 TYR H 2.640 2.040 3.240 2.618 2.604 2.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
88 1 36 LEU H 1 38 GLU H 2.650 2.050 3.450 3.778 3.743 3.814 0.364 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
89 1 36 LEU HA 1 37 TYR H 3.500 . 5.000 3.514 3.508 3.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
90 1 36 LEU HA 1 38 GLU H 3.500 . 5.000 4.275 4.194 4.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
91 1 37 TYR H 1 38 GLU H 2.750 2.140 3.360 2.545 2.501 2.606 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
92 1 37 TYR HA 1 38 GLU H 3.500 . 5.000 3.519 3.492 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
93 1 37 TYR HA 1 39 LYS H 3.500 . 5.000 4.800 4.316 5.011 0.011 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
94 1 37 TYR HA 1 40 THR H 3.500 . 5.000 3.617 3.204 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
95 1 37 TYR HA 1 41 TYR H 3.500 . 5.000 5.069 4.805 5.392 0.392 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
96 1 38 GLU H 1 39 LYS H 2.950 2.320 3.580 2.890 2.681 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
97 1 38 GLU H 1 40 THR H 3.190 2.540 3.840 3.920 3.846 4.010 0.170 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
98 1 38 GLU HA 1 39 LYS H 3.580 2.900 4.260 3.550 3.524 3.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
99 1 38 GLU HA 1 40 THR H 2.930 2.300 3.560 3.782 3.735 3.829 0.269 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
100 1 38 GLU HA 1 41 TYR H 3.530 2.860 4.200 3.946 3.299 4.233 0.033 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
101 1 38 GLU HA 1 42 LEU H 3.500 . 5.000 4.863 4.362 5.266 0.266 68 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
102 1 39 LYS H 1 40 THR H 2.510 . 3.130 2.784 2.640 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
103 1 39 LYS HA 1 40 THR H 3.500 . 5.000 3.405 3.335 3.479 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
104 1 39 LYS HA 1 41 TYR H 3.500 . 5.000 4.413 3.491 4.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
105 1 39 LYS HA 1 42 LEU H 3.500 . 5.000 3.342 2.909 4.655 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
106 1 40 THR HA 1 41 TYR H 2.770 2.160 3.380 3.521 3.116 3.549 0.169 34 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
107 1 41 TYR H 1 42 LEU H 3.500 . 5.000 2.678 2.220 3.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
108 1 41 TYR HA 1 42 LEU H 3.500 . 5.000 3.540 2.754 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
109 1 44 ALA H 1 45 VAL H 2.810 2.190 3.430 2.670 2.648 2.755 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
110 1 44 ALA HA 1 46 ASP H 3.500 . 5.000 4.294 3.936 5.056 0.056 68 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
111 1 44 ALA HA 1 47 GLU H 3.500 . 5.000 3.145 2.993 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
112 1 44 ALA HA 1 48 LYS H 3.500 . 5.000 3.836 3.001 4.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
113 1 45 VAL H 1 46 ASP H 3.250 2.600 3.900 3.101 2.759 3.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
114 1 45 VAL H 1 47 GLU H 3.240 2.590 3.890 4.154 3.993 4.254 0.364 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
115 1 45 VAL HA 1 46 ASP H 3.650 2.970 4.330 3.572 3.528 3.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
116 1 46 ASP H 1 47 GLU H 3.230 2.580 3.880 2.575 2.462 2.754 0.118 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
117 1 46 ASP H 1 48 LYS H 3.500 . 5.000 4.444 4.124 4.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
118 1 46 ASP HA 1 47 GLU H 3.210 2.560 3.860 3.520 3.468 3.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
119 1 46 ASP HA 1 48 LYS H 3.500 . 5.000 4.708 4.278 5.039 0.039 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
120 1 46 ASP HA 1 49 LEU H 4.090 3.370 4.810 3.591 3.424 3.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
121 1 46 ASP HA 1 50 ARG H 3.500 . 5.000 4.625 3.984 5.031 0.031 66 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
122 1 47 GLU H 1 48 LYS H 3.500 . 5.000 2.710 2.565 2.854 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
123 1 47 GLU HA 1 48 LYS H 3.500 . 5.000 3.562 3.524 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
124 1 47 GLU HA 1 50 ARG H 3.170 2.520 3.820 3.844 3.571 3.917 0.097 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
125 1 47 GLU HA 1 51 ASP H 3.500 . 5.000 4.095 3.921 4.266 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
126 1 49 LEU H 1 50 ARG H 3.090 2.450 3.730 2.862 2.783 2.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
127 1 49 LEU H 1 51 ASP H 2.830 2.210 3.450 3.623 3.567 3.655 0.205 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
128 1 49 LEU HA 1 51 ASP H 3.500 . 5.000 4.312 4.183 4.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
129 1 49 LEU HA 1 52 LEU H 3.500 . 5.000 3.979 3.841 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
130 1 49 LEU HA 1 53 TYR H 3.500 . 5.000 4.568 4.400 4.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
131 1 50 ARG H 1 51 ASP H 3.500 . 5.000 2.587 2.566 2.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
132 1 50 ARG H 1 52 LEU H 3.500 . 5.000 4.669 4.517 4.814 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
133 1 50 ARG HA 1 51 ASP H 3.110 2.470 3.750 3.505 3.487 3.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
134 1 51 ASP H 1 52 LEU H 3.500 . 5.000 2.919 2.843 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
135 1 51 ASP HA 1 52 LEU H 3.500 . 5.000 3.569 3.560 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
136 1 51 ASP HA 1 53 TYR H 3.450 2.780 4.120 4.169 4.086 4.221 0.101 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
137 1 51 ASP HA 1 54 SER H 3.500 . 5.000 3.904 3.600 4.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
138 1 51 ASP HA 1 55 LYS H 3.500 . 5.000 4.683 4.158 5.046 0.046 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
139 1 53 TYR H 1 54 SER H 3.140 2.500 3.780 2.669 2.610 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
140 1 53 TYR HA 1 54 SER H 3.500 . 5.000 3.561 3.539 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
141 1 54 SER H 1 55 LYS H 3.290 2.630 3.950 2.753 2.705 2.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
142 1 54 SER HA 1 55 LYS H 3.500 . 5.000 3.561 3.544 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
143 1 55 LYS H 1 56 SER H 2.830 2.210 3.450 2.722 2.643 2.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
144 1 55 LYS HA 1 56 SER H 3.150 2.510 3.790 3.554 3.511 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
145 1 56 SER H 1 57 THR H 3.640 2.960 4.320 2.791 2.755 2.839 0.205 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
146 1 56 SER HA 1 57 THR H 3.500 . 5.000 3.491 3.455 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
147 1 56 SER HA 1 58 ALA H 3.500 . 5.000 4.447 4.077 4.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
148 1 56 SER HA 1 59 ALA H 3.500 . 5.000 3.604 3.299 3.885 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
149 1 56 SER HA 1 60 MET H 3.500 . 5.000 2.565 2.022 4.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
150 1 57 THR H 1 58 ALA H 3.030 2.400 3.660 2.845 2.752 2.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
151 1 57 THR H 1 59 ALA H 3.500 . 5.000 4.215 4.023 4.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
152 1 57 THR HA 1 58 ALA H 3.060 2.420 3.700 3.563 3.499 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
153 1 57 THR HA 1 59 ALA H 3.500 . 5.000 5.016 4.782 5.115 0.115 14 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
154 1 57 THR HA 1 60 MET H 3.500 . 5.000 4.610 3.423 5.020 0.020 46 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
155 1 57 THR HA 1 61 SER H 3.500 . 5.000 4.627 4.151 4.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
156 1 58 ALA H 1 59 ALA H 2.750 2.140 3.360 2.481 2.368 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
157 1 58 ALA HA 1 59 ALA H 3.500 . 5.000 3.558 3.547 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
158 1 59 ALA H 1 60 MET H 2.500 . 3.120 2.876 2.649 2.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
159 1 59 ALA H 1 61 SER H 3.500 . 5.000 3.948 3.821 4.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
160 1 59 ALA HA 1 60 MET H 3.500 . 5.000 3.569 3.489 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
161 1 59 ALA HA 1 63 TYR H 3.500 . 5.000 4.771 4.079 5.029 0.029 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
162 1 60 MET H 1 61 SER H 3.500 . 5.000 2.748 2.710 2.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
163 1 60 MET H 1 62 THR H 3.500 . 5.000 4.379 4.167 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
164 1 60 MET HA 1 62 THR H 3.500 . 5.000 3.633 3.525 3.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
165 1 60 MET HA 1 63 TYR H 3.500 . 5.000 3.267 3.069 3.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
166 1 60 MET HA 1 64 THR H 3.500 . 5.000 3.699 3.155 4.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
167 1 61 SER H 1 62 THR H 2.690 2.080 3.300 2.633 2.591 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
168 1 61 SER H 1 63 TYR H 3.500 . 5.000 4.386 4.171 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
169 1 61 SER HA 1 63 TYR H 3.500 . 5.000 5.020 4.921 5.149 0.149 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
170 1 61 SER HA 1 64 THR H 3.500 . 5.000 3.970 3.647 4.429 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
171 1 61 SER HA 1 65 GLY H 3.500 . 5.000 4.677 3.993 5.017 0.017 45 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
172 1 62 THR H 1 63 TYR H 2.990 2.360 3.620 2.270 2.134 2.391 0.226 26 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
173 1 62 THR H 1 64 THR H 2.560 . 3.190 3.353 3.323 3.406 0.216 12 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
174 1 62 THR HA 1 63 TYR H 3.290 2.640 3.940 3.561 3.556 3.565 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
175 1 62 THR HA 1 64 THR H 3.450 2.780 4.120 3.908 3.756 4.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
176 1 63 TYR H 1 65 GLY H 3.500 . 5.000 4.816 4.667 5.010 0.010 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
177 1 63 TYR H 1 67 PHE H 3.500 . 5.000 5.353 5.322 5.394 0.394 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
178 1 63 TYR HA 1 64 THR H 2.790 2.170 3.410 3.451 3.413 3.480 0.070 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
179 1 64 THR H 1 65 GLY H 3.500 . 5.000 2.735 2.649 2.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
180 1 64 THR H 1 66 ILE H 3.500 . 5.000 3.694 3.643 3.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
181 1 64 THR HA 1 65 GLY H 2.850 2.230 3.470 3.559 3.547 3.564 0.094 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
182 1 64 THR HA 1 66 ILE H 3.520 2.850 4.190 4.431 4.395 4.464 0.274 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
183 1 64 THR HA 1 67 PHE H 3.140 2.500 3.780 3.849 3.807 3.891 0.111 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
184 1 65 GLY H 1 66 ILE H 2.440 . 3.070 2.585 2.465 2.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
185 1 65 GLY QA 1 66 ILE H 3.500 . 5.000 2.730 2.710 2.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
186 1 65 GLY QA 1 67 PHE H 3.500 . 5.000 4.501 4.450 4.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
187 1 66 ILE H 1 67 PHE H 2.280 . 2.910 2.811 2.780 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
188 1 66 ILE HA 1 67 PHE H 3.500 . 5.000 3.574 3.569 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
189 1 66 ILE HA 1 68 THR H 3.500 . 5.000 4.842 4.744 4.920 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
190 1 67 PHE H 1 68 THR H 3.500 . 5.000 2.964 2.931 2.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
191 1 67 PHE H 1 69 ASP H 2.040 . 3.660 3.904 3.883 3.932 0.272 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
192 1 67 PHE HA 1 68 THR H 3.500 . 5.000 3.565 3.560 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
193 1 67 PHE HA 1 69 ASP H 3.500 . 5.000 4.031 3.971 4.126 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
194 1 67 PHE HA 1 70 GLN H 3.500 . 5.000 4.123 3.933 4.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
195 1 67 PHE HA 1 71 VAL H 3.500 . 5.000 4.896 4.716 5.010 0.010 62 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
196 1 68 THR H 1 69 ASP H 3.470 2.600 4.140 2.644 2.608 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
197 1 68 THR H 1 70 GLN H 3.500 . 5.000 4.882 4.683 5.031 0.031 64 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
198 1 68 THR HA 1 69 ASP H 2.380 . 3.220 3.432 3.413 3.457 0.237 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
199 1 68 THR HA 1 70 GLN H 3.500 . 5.000 4.568 4.419 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
200 1 68 THR HA 1 71 VAL H 3.500 . 5.000 3.157 3.091 3.234 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
201 1 68 THR HA 1 72 LEU H 3.290 2.640 3.940 3.595 3.469 3.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
202 1 69 ASP H 1 70 GLN H 2.830 2.210 3.450 2.897 2.833 2.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
203 1 69 ASP HA 1 70 GLN H 3.810 3.110 4.510 3.571 3.561 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
204 1 69 ASP HA 1 71 VAL H 3.540 2.860 4.220 4.255 4.221 4.419 0.199 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
205 1 70 GLN H 1 71 VAL H 1.970 . 2.590 2.560 2.538 2.619 0.029 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
206 1 70 GLN H 1 72 LEU H 3.500 . 5.000 4.490 4.386 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
207 1 70 GLN HA 1 71 VAL H 3.040 2.400 3.680 3.466 3.454 3.513 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
208 1 70 GLN HA 1 72 LEU H 3.880 3.180 4.580 4.668 4.617 4.712 0.132 38 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
209 1 71 VAL H 1 72 LEU H 2.550 . 3.190 2.632 2.601 2.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
210 1 71 VAL H 1 73 SER H 2.380 . 3.320 3.649 3.621 3.709 0.389 51 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
211 1 71 VAL HA 1 72 LEU H 3.760 3.070 4.450 3.546 3.538 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
212 1 72 LEU H 1 73 SER H 2.540 . 3.170 2.615 2.589 2.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
213 1 72 LEU H 1 74 VAL H 3.380 2.720 4.040 4.204 4.155 4.278 0.238 43 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
214 1 72 LEU HA 1 73 SER H 3.500 . 5.000 3.514 3.503 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
215 1 72 LEU HA 1 74 VAL H 3.500 . 5.000 4.161 3.969 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
216 1 72 LEU HA 1 75 LEU H 3.500 . 5.000 3.244 3.202 3.322 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
217 1 72 LEU HA 1 76 LYS H 3.500 . 5.000 5.024 4.948 5.058 0.058 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
218 1 73 SER H 1 74 VAL H 2.550 . 3.180 2.713 2.692 2.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
219 1 73 SER H 1 75 LEU H 3.500 . 5.000 3.918 3.878 4.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
220 1 73 SER HA 1 74 VAL H 3.500 . 5.000 3.517 3.484 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
221 1 73 SER HA 1 75 LEU H 2.890 2.270 3.510 3.823 3.797 3.885 0.375 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
222 1 73 SER HA 1 76 LYS H 3.500 . 5.000 3.688 3.466 3.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
223 1 73 SER HA 1 77 GLY H 3.500 . 5.000 5.009 4.640 5.086 0.086 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
224 1 74 VAL H 1 75 LEU H 2.250 . 2.870 2.528 2.479 2.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
225 1 74 VAL H 1 76 LYS H 4.380 3.640 5.120 4.359 4.180 4.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
226 1 74 VAL HA 1 75 LEU H 3.820 3.120 4.520 3.430 3.409 3.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
227 1 75 LEU H 1 76 LYS H 1.790 . 2.400 2.552 2.537 2.591 0.191 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
228 1 75 LEU HA 1 76 LYS H 2.720 2.110 3.330 3.486 3.475 3.503 0.173 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
229 1 75 LEU HA 1 77 GLY H 4.910 4.130 5.690 4.496 4.112 4.776 0.018 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
230 1 75 LEU HA 1 79 GLU H 3.280 2.630 3.930 3.112 2.612 3.941 0.018 4 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
231 1 76 LYS H 1 77 GLY H 2.220 . 2.840 2.580 2.518 2.661 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
232 1 76 LYS HA 1 77 GLY H 3.880 3.180 4.580 3.547 3.499 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
233 1 77 GLY H 1 78 GLU H 3.420 2.750 4.090 3.080 2.724 3.897 0.026 55 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
234 1 77 GLY QA 1 78 GLU H 2.760 2.150 3.370 2.527 2.234 2.844 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
235 1 78 GLU H 1 79 GLU H 2.970 2.340 3.600 2.579 2.285 3.010 0.055 40 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
236 1 78 GLU HA 1 79 GLU H 3.680 2.990 4.370 3.289 2.795 3.588 0.195 5 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . ]" 1
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