NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
467701 |
2kn8   |
16452 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kn8
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 583
_Distance_constraint_stats_list.Viol_count 1468
_Distance_constraint_stats_list.Viol_total 676.073
_Distance_constraint_stats_list.Viol_max 1.962
_Distance_constraint_stats_list.Viol_rms 0.0633
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0116
_Distance_constraint_stats_list.Viol_average_violations_only 0.0461
_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 1 ASP 0.001 0.001 5 0 "[ . 1]"
1 2 GLN 1.246 0.209 10 0 "[ . 1]"
1 3 ASN 1.707 0.283 10 0 "[ . 1]"
1 4 HIS 0.569 0.283 10 0 "[ . 1]"
1 5 ILE 3.098 0.200 9 0 "[ . 1]"
1 6 GLU 4.934 0.327 2 0 "[ . 1]"
1 7 GLN 2.211 0.327 2 0 "[ . 1]"
1 8 PRO 0.110 0.067 3 0 "[ . 1]"
1 9 PHE 1.854 0.233 3 0 "[ . 1]"
1 10 TYR 2.040 0.210 4 0 "[ . 1]"
1 11 LEU 0.802 0.071 7 0 "[ . 1]"
1 12 MET 2.758 0.285 1 0 "[ . 1]"
1 13 GLY 0.604 0.182 8 0 "[ . 1]"
1 14 ARG 0.260 0.054 8 0 "[ . 1]"
1 15 ASP 1.563 0.285 1 0 "[ . 1]"
1 16 LYS 2.362 0.257 2 0 "[ . 1]"
1 17 ALA 0.755 0.072 6 0 "[ . 1]"
1 18 LEU 0.589 0.052 2 0 "[ . 1]"
1 19 ALA 4.108 0.386 5 0 "[ . 1]"
1 20 VAL 2.631 0.376 4 0 "[ . 1]"
1 21 GLU 0.444 0.047 10 0 "[ . 1]"
1 22 GLN 1.309 0.053 5 0 "[ . 1]"
1 23 PHE 1.533 0.264 6 0 "[ . 1]"
1 24 ILE 0.298 0.047 10 0 "[ . 1]"
1 25 SER 0.167 0.027 2 0 "[ . 1]"
1 26 ARG 0.134 0.017 10 0 "[ . 1]"
1 27 PHE 0.201 0.036 7 0 "[ . 1]"
1 28 ASN 0.789 0.069 5 0 "[ . 1]"
1 29 SER 0.549 0.069 5 0 "[ . 1]"
1 30 GLY 3.117 0.777 8 3 "[ *- + 1]"
1 31 TYR 1.678 0.347 6 0 "[ . 1]"
1 32 ILE 0.389 0.031 3 0 "[ . 1]"
1 33 LYS 4.751 0.777 8 3 "[ *- + 1]"
1 34 ALA 0.551 0.090 6 0 "[ . 1]"
1 35 SER 0.803 0.062 1 0 "[ . 1]"
1 36 GLN 1.654 0.062 1 0 "[ . 1]"
1 37 GLU 1.445 0.056 10 0 "[ . 1]"
1 38 LEU 0.778 0.034 7 0 "[ . 1]"
1 39 VAL 0.598 0.034 7 0 "[ . 1]"
1 40 SER 0.279 0.030 4 0 "[ . 1]"
1 41 TYR 0.651 0.165 2 0 "[ . 1]"
1 42 THR 1.115 0.197 6 0 "[ . 1]"
1 43 ILE 1.072 0.070 6 0 "[ . 1]"
1 44 LYS 1.370 0.091 6 0 "[ . 1]"
1 45 LEU 2.107 0.197 6 0 "[ . 1]"
1 46 SER 0.730 0.125 10 0 "[ . 1]"
1 47 HIS 2.049 0.135 10 0 "[ . 1]"
1 48 ASP 4.559 0.298 1 0 "[ . 1]"
1 49 PRO 2.765 0.298 1 0 "[ . 1]"
1 50 ILE 1.396 0.061 2 0 "[ . 1]"
1 51 GLU 0.653 0.061 2 0 "[ . 1]"
1 52 TYR 2.139 0.182 9 0 "[ . 1]"
1 53 LEU 1.008 0.063 8 0 "[ . 1]"
1 54 LEU 1.128 0.073 7 0 "[ . 1]"
1 55 GLU 0.449 0.069 8 0 "[ . 1]"
1 56 GLN 0.349 0.030 5 0 "[ . 1]"
1 57 ILE 0.365 0.028 5 0 "[ . 1]"
1 58 GLN 0.308 0.028 5 0 "[ . 1]"
1 59 ASN 0.438 0.037 9 0 "[ . 1]"
1 60 LEU 0.627 0.043 5 0 "[ . 1]"
1 61 HIS 0.522 0.043 5 0 "[ . 1]"
1 62 ARG 0.389 0.036 8 0 "[ . 1]"
1 63 VAL 10.726 1.962 2 6 "[*+ ** *-]"
1 64 THR 0.652 0.103 2 0 "[ . 1]"
1 65 LEU 0.407 0.103 2 0 "[ . 1]"
1 66 ALA 12.744 1.962 2 6 "[*+ ** *-]"
1 67 GLU 0.014 0.004 3 0 "[ . 1]"
1 68 GLY 0.010 0.004 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASP HA 1 1 ASP HB2 2.900 2.300 3.500 2.647 2.452 2.759 . 0 0 "[ . 1]" 1
2 1 1 ASP HA 1 1 ASP HB3 2.900 2.300 3.500 2.877 2.386 3.025 . 0 0 "[ . 1]" 1
3 1 1 ASP HA 1 2 GLN H 3.300 2.600 4.000 3.146 2.601 3.585 . 0 0 "[ . 1]" 1
4 1 1 ASP HB2 1 2 GLN H 3.800 3.050 4.550 3.766 3.292 4.127 . 0 0 "[ . 1]" 1
5 1 1 ASP HB3 1 2 GLN H 3.300 2.600 4.000 3.148 2.599 4.001 0.001 5 0 "[ . 1]" 1
6 1 2 GLN H 1 2 GLN HA 3.300 2.600 4.000 2.783 2.399 3.001 0.201 2 0 "[ . 1]" 1
7 1 2 GLN H 1 2 GLN HB2 3.300 2.600 4.000 2.754 2.391 3.090 0.209 10 0 "[ . 1]" 1
8 1 2 GLN H 1 2 GLN HB3 3.800 3.050 4.550 3.638 2.885 4.018 0.165 10 0 "[ . 1]" 1
9 1 2 GLN H 1 3 ASN H 3.800 3.050 4.550 4.288 3.045 4.665 0.115 2 0 "[ . 1]" 1
10 1 2 GLN HA 1 2 GLN HB3 2.900 2.300 3.500 2.717 2.388 3.046 . 0 0 "[ . 1]" 1
11 1 2 GLN HA 1 3 ASN H 2.900 2.300 3.500 2.728 2.314 3.573 0.073 5 0 "[ . 1]" 1
12 1 2 GLN HB2 1 3 ASN H 3.300 2.600 4.000 3.648 2.874 4.011 0.011 3 0 "[ . 1]" 1
13 1 2 GLN HB3 1 3 ASN H 2.900 2.300 3.500 2.633 2.298 3.068 0.002 5 0 "[ . 1]" 1
14 1 3 ASN H 1 3 ASN HA 3.300 2.600 4.000 2.826 2.408 2.991 0.192 9 0 "[ . 1]" 1
15 1 3 ASN H 1 3 ASN QB 2.900 2.300 3.500 2.505 2.048 2.989 0.252 4 0 "[ . 1]" 1
16 1 3 ASN H 1 4 HIS H 2.900 2.300 3.500 2.677 2.398 3.583 0.083 7 0 "[ . 1]" 1
17 1 3 ASN HA 1 3 ASN QB 2.900 2.300 3.500 2.461 2.335 2.552 . 0 0 "[ . 1]" 1
18 1 3 ASN HA 1 4 HIS H 2.900 2.300 3.500 3.191 2.268 3.574 0.074 10 0 "[ . 1]" 1
19 1 3 ASN QB 1 4 HIS H 3.300 2.600 4.000 3.341 2.317 3.717 0.283 10 0 "[ . 1]" 1
20 1 4 HIS H 1 4 HIS HB2 2.500 . 3.000 2.780 2.204 3.017 0.017 2 0 "[ . 1]" 1
21 1 4 HIS H 1 4 HIS HB3 3.300 2.600 4.000 3.676 2.599 4.000 0.001 1 0 "[ . 1]" 1
22 1 4 HIS HA 1 4 HIS HB2 2.900 2.300 3.500 2.860 2.556 3.038 . 0 0 "[ . 1]" 1
23 1 4 HIS HA 1 4 HIS HB3 2.900 2.300 3.500 2.809 2.486 3.030 . 0 0 "[ . 1]" 1
24 1 4 HIS HA 1 5 ILE H 2.500 . 3.000 2.422 2.200 2.857 . 0 0 "[ . 1]" 1
25 1 4 HIS HA 1 6 GLU H 3.800 3.050 4.550 3.483 3.046 4.148 0.004 8 0 "[ . 1]" 1
26 1 4 HIS HB2 1 5 ILE H 3.800 3.050 4.550 4.457 4.067 4.592 0.042 2 0 "[ . 1]" 1
27 1 4 HIS HB3 1 5 ILE H 3.800 3.050 4.550 3.924 3.494 4.318 . 0 0 "[ . 1]" 1
28 1 5 ILE H 1 5 ILE HA 2.900 2.300 3.500 2.905 2.356 2.993 . 0 0 "[ . 1]" 1
29 1 5 ILE H 1 5 ILE HB 2.500 . 3.000 2.487 2.380 3.163 0.163 9 0 "[ . 1]" 1
30 1 5 ILE H 1 6 GLU H 2.900 2.300 3.500 2.473 2.283 2.728 0.017 2 0 "[ . 1]" 1
31 1 5 ILE HA 1 5 ILE HB 2.900 2.300 3.500 3.021 2.979 3.027 . 0 0 "[ . 1]" 1
32 1 5 ILE HA 1 6 GLU H 2.500 . 3.000 3.172 3.139 3.181 0.181 7 0 "[ . 1]" 1
33 1 5 ILE HB 1 6 GLU H 2.900 2.300 3.500 3.612 3.596 3.700 0.200 9 0 "[ . 1]" 1
34 1 6 GLU H 1 6 GLU HB2 2.500 . 3.000 2.556 1.991 3.007 0.009 4 0 "[ . 1]" 1
35 1 6 GLU H 1 6 GLU HB3 3.300 2.600 4.000 3.658 3.036 4.002 0.002 9 0 "[ . 1]" 1
36 1 6 GLU H 1 6 GLU QG 3.300 2.600 4.000 3.070 2.317 3.567 0.283 5 0 "[ . 1]" 1
37 1 6 GLU H 1 7 GLN H 3.800 3.050 4.550 4.557 4.387 4.615 0.065 6 0 "[ . 1]" 1
38 1 6 GLU HA 1 7 GLN H 2.000 . 2.500 2.455 2.300 2.538 0.038 4 0 "[ . 1]" 1
39 1 6 GLU HB2 1 7 GLN H 3.300 2.600 4.000 3.896 3.553 4.011 0.011 3 0 "[ . 1]" 1
40 1 6 GLU HB3 1 7 GLN H 3.300 2.600 4.000 2.696 2.590 2.992 0.010 6 0 "[ . 1]" 1
41 1 6 GLU QG 1 7 GLN H 3.800 3.050 4.550 3.461 2.723 4.058 0.327 2 0 "[ . 1]" 1
42 1 7 GLN H 1 7 GLN HA 2.500 . 3.000 2.723 2.366 2.994 . 0 0 "[ . 1]" 1
43 1 7 GLN H 1 8 PRO HD2 3.300 2.600 4.000 3.669 3.243 3.971 . 0 0 "[ . 1]" 1
44 1 7 GLN H 1 8 PRO HD3 2.500 . 3.000 2.780 2.468 3.003 0.003 5 0 "[ . 1]" 1
45 1 7 GLN HA 1 7 GLN HB2 2.900 2.300 3.500 2.863 2.443 3.037 . 0 0 "[ . 1]" 1
46 1 7 GLN HA 1 7 GLN HB3 2.500 . 3.000 2.618 2.371 2.904 . 0 0 "[ . 1]" 1
47 1 7 GLN HA 1 7 GLN QG 2.900 2.300 3.500 2.502 2.048 3.264 0.252 7 0 "[ . 1]" 1
48 1 7 GLN HA 1 8 PRO HD2 2.000 . 2.500 2.160 1.997 2.265 . 0 0 "[ . 1]" 1
49 1 7 GLN HA 1 8 PRO HD3 2.500 . 3.000 2.847 2.567 3.009 0.009 3 0 "[ . 1]" 1
50 1 7 GLN HA 1 9 PHE H 3.800 3.050 4.550 3.208 3.049 3.726 0.001 7 0 "[ . 1]" 1
51 1 7 GLN HA 1 10 TYR H 3.800 3.050 4.550 3.740 3.500 3.956 . 0 0 "[ . 1]" 1
52 1 7 GLN HA 1 10 TYR QB 3.800 3.050 4.550 3.904 3.263 4.057 . 0 0 "[ . 1]" 1
53 1 8 PRO HA 1 9 PHE H 2.900 2.300 3.500 3.461 3.402 3.567 0.067 3 0 "[ . 1]" 1
54 1 8 PRO HA 1 10 TYR H 3.800 3.050 4.550 4.273 4.080 4.551 0.001 3 0 "[ . 1]" 1
55 1 8 PRO HA 1 11 LEU H 3.800 3.050 4.550 3.975 3.822 4.147 . 0 0 "[ . 1]" 1
56 1 8 PRO HA 1 11 LEU QB 3.300 2.600 4.000 3.435 3.080 3.566 . 0 0 "[ . 1]" 1
57 1 8 PRO HB2 1 9 PHE H 3.800 3.050 4.550 3.621 3.048 3.807 0.002 3 0 "[ . 1]" 1
58 1 8 PRO HB3 1 9 PHE H 3.800 3.050 4.550 4.316 3.984 4.423 . 0 0 "[ . 1]" 1
59 1 8 PRO HD2 1 9 PHE H 3.300 2.600 4.000 2.619 2.586 2.715 0.014 3 0 "[ . 1]" 1
60 1 8 PRO HD3 1 9 PHE H 3.800 3.050 4.550 3.826 3.805 3.875 . 0 0 "[ . 1]" 1
61 1 9 PHE H 1 9 PHE HA 2.500 . 3.000 2.954 2.891 2.989 . 0 0 "[ . 1]" 1
62 1 9 PHE H 1 9 PHE QB 2.900 2.300 3.500 2.174 2.067 2.262 0.233 3 0 "[ . 1]" 1
63 1 9 PHE H 1 10 TYR H 2.500 . 3.000 2.300 2.097 2.587 . 0 0 "[ . 1]" 1
64 1 9 PHE HA 1 9 PHE QB 2.500 . 3.000 2.452 2.314 2.509 . 0 0 "[ . 1]" 1
65 1 9 PHE HA 1 9 PHE QD 2.900 2.300 3.500 2.590 2.078 3.008 0.222 8 0 "[ . 1]" 1
66 1 9 PHE HA 1 10 TYR H 2.900 2.300 3.500 3.504 3.456 3.548 0.048 3 0 "[ . 1]" 1
67 1 9 PHE HA 1 12 MET H 2.900 2.300 3.500 3.497 3.448 3.515 0.015 3 0 "[ . 1]" 1
68 1 9 PHE QB 1 9 PHE QD 2.500 . 3.000 2.167 2.149 2.223 . 0 0 "[ . 1]" 1
69 1 9 PHE QB 1 10 TYR H 2.900 2.300 3.500 2.830 2.644 2.993 . 0 0 "[ . 1]" 1
70 1 10 TYR H 1 10 TYR HA 2.500 . 3.000 2.864 2.829 2.894 . 0 0 "[ . 1]" 1
71 1 10 TYR H 1 10 TYR QB 2.900 2.300 3.500 2.106 2.090 2.124 0.210 4 0 "[ . 1]" 1
72 1 10 TYR H 1 10 TYR QD 3.800 3.050 4.550 4.041 3.989 4.059 . 0 0 "[ . 1]" 1
73 1 10 TYR HA 1 10 TYR QB 2.000 . 2.500 2.281 2.279 2.283 . 0 0 "[ . 1]" 1
74 1 10 TYR HA 1 10 TYR QD 2.900 2.300 3.500 2.855 2.422 3.119 . 0 0 "[ . 1]" 1
75 1 10 TYR HA 1 11 LEU H 3.300 2.600 4.000 3.498 3.430 3.582 . 0 0 "[ . 1]" 1
76 1 10 TYR HA 1 13 GLY H 3.300 2.600 4.000 3.819 3.389 4.009 0.009 3 0 "[ . 1]" 1
77 1 10 TYR QB 1 10 TYR QD 2.500 . 3.000 2.153 2.149 2.168 . 0 0 "[ . 1]" 1
78 1 10 TYR QB 1 11 LEU H 2.900 2.300 3.500 2.875 2.457 3.118 . 0 0 "[ . 1]" 1
79 1 11 LEU H 1 11 LEU HA 2.500 . 3.000 2.895 2.824 2.970 . 0 0 "[ . 1]" 1
80 1 11 LEU H 1 11 LEU HB2 2.000 . 2.500 1.989 1.935 2.111 . 0 0 "[ . 1]" 1
81 1 11 LEU H 1 11 LEU HB3 2.900 2.300 3.500 3.131 3.103 3.179 . 0 0 "[ . 1]" 1
82 1 11 LEU H 1 11 LEU HG 3.800 3.050 4.550 4.080 3.663 4.381 . 0 0 "[ . 1]" 1
83 1 11 LEU H 1 12 MET H 2.900 2.300 3.500 2.660 2.401 2.871 . 0 0 "[ . 1]" 1
84 1 11 LEU HA 1 12 MET H 2.900 2.300 3.500 3.569 3.565 3.571 0.071 7 0 "[ . 1]" 1
85 1 11 LEU HB2 1 12 MET H 2.500 . 3.000 3.005 3.001 3.010 0.010 2 0 "[ . 1]" 1
86 1 11 LEU HB3 1 12 MET H 2.000 . 2.500 2.506 2.501 2.514 0.014 6 0 "[ . 1]" 1
87 1 12 MET H 1 12 MET HA 2.500 . 3.000 2.824 2.740 2.921 . 0 0 "[ . 1]" 1
88 1 12 MET H 1 12 MET QB 2.500 . 3.000 2.053 1.935 2.140 0.065 9 0 "[ . 1]" 1
89 1 12 MET H 1 12 MET HG2 3.800 3.050 4.550 3.953 3.028 4.351 0.022 6 0 "[ . 1]" 1
90 1 12 MET H 1 12 MET HG3 3.300 2.600 4.000 3.169 2.600 3.995 0.000 10 0 "[ . 1]" 1
91 1 12 MET HA 1 13 GLY H 2.900 2.300 3.500 3.484 3.413 3.565 0.065 3 0 "[ . 1]" 1
92 1 12 MET HA 1 15 ASP H 3.800 3.050 4.550 3.576 3.094 4.376 . 0 0 "[ . 1]" 1
93 1 12 MET HA 1 15 ASP QB 3.300 2.600 4.000 2.773 2.315 3.567 0.285 1 0 "[ . 1]" 1
94 1 12 MET QB 1 13 GLY H 2.900 2.300 3.500 2.874 2.118 3.186 0.182 8 0 "[ . 1]" 1
95 1 13 GLY H 1 13 GLY HA2 2.500 . 3.000 2.649 2.349 2.951 . 0 0 "[ . 1]" 1
96 1 13 GLY H 1 13 GLY HA3 2.500 . 3.000 2.552 2.351 2.918 . 0 0 "[ . 1]" 1
97 1 13 GLY HA2 1 14 ARG H 3.300 2.600 4.000 3.462 3.130 3.593 . 0 0 "[ . 1]" 1
98 1 13 GLY HA3 1 14 ARG H 2.900 2.300 3.500 2.649 2.249 3.422 0.051 4 0 "[ . 1]" 1
99 1 14 ARG H 1 14 ARG HA 2.500 . 3.000 2.934 2.831 2.996 . 0 0 "[ . 1]" 1
100 1 14 ARG H 1 14 ARG HB2 2.900 2.600 3.500 3.183 2.598 3.554 0.054 8 0 "[ . 1]" 1
101 1 14 ARG H 1 14 ARG HB3 2.500 . 3.000 2.587 2.257 3.034 0.034 8 0 "[ . 1]" 1
102 1 14 ARG H 1 15 ASP H 2.500 . 3.000 2.647 2.137 3.002 0.002 8 0 "[ . 1]" 1
103 1 14 ARG HA 1 15 ASP H 2.900 2.300 3.500 3.187 2.893 3.505 0.005 7 0 "[ . 1]" 1
104 1 15 ASP H 1 15 ASP HA 2.500 . 3.000 2.896 2.758 2.998 . 0 0 "[ . 1]" 1
105 1 15 ASP H 1 15 ASP QB 2.500 . 3.000 2.189 1.927 2.583 0.073 9 0 "[ . 1]" 1
106 1 15 ASP H 1 16 LYS H 2.500 . 3.000 2.501 2.069 2.951 . 0 0 "[ . 1]" 1
107 1 15 ASP HA 1 16 LYS H 2.900 2.300 3.500 3.462 3.388 3.569 0.069 4 0 "[ . 1]" 1
108 1 15 ASP HA 1 18 LEU H 2.900 2.300 3.500 3.316 2.942 3.502 0.002 10 0 "[ . 1]" 1
109 1 15 ASP HA 1 18 LEU HB2 2.900 2.300 3.500 2.426 2.295 2.790 0.005 5 0 "[ . 1]" 1
110 1 15 ASP HA 1 18 LEU HB3 2.500 . 3.000 2.827 2.441 3.007 0.007 4 0 "[ . 1]" 1
111 1 15 ASP HA 1 19 ALA H 3.800 3.050 4.550 4.257 4.098 4.537 . 0 0 "[ . 1]" 1
112 1 15 ASP QB 1 16 LYS H 2.900 2.300 3.500 3.017 2.813 3.140 . 0 0 "[ . 1]" 1
113 1 16 LYS H 1 16 LYS HA 2.500 . 3.000 2.740 2.375 2.868 . 0 0 "[ . 1]" 1
114 1 16 LYS H 1 16 LYS QB 2.900 2.300 3.500 2.196 2.043 3.069 0.257 2 0 "[ . 1]" 1
115 1 16 LYS HA 1 17 ALA H 2.900 2.300 3.500 3.537 3.475 3.572 0.072 6 0 "[ . 1]" 1
116 1 16 LYS HA 1 19 ALA H 2.900 2.300 3.500 3.479 3.324 3.532 0.032 4 0 "[ . 1]" 1
117 1 16 LYS HA 1 19 ALA MB 2.900 2.300 3.500 2.708 2.511 2.826 . 0 0 "[ . 1]" 1
118 1 17 ALA H 1 17 ALA HA 2.500 . 3.000 2.806 2.752 2.898 . 0 0 "[ . 1]" 1
119 1 17 ALA H 1 17 ALA MB 2.000 . 2.500 1.936 1.913 1.957 . 0 0 "[ . 1]" 1
120 1 17 ALA H 1 18 LEU H 2.500 . 3.000 2.785 2.522 2.965 . 0 0 "[ . 1]" 1
121 1 17 ALA HA 1 17 ALA MB 2.000 . 2.500 2.111 2.109 2.113 . 0 0 "[ . 1]" 1
122 1 17 ALA HA 1 18 LEU H 2.900 2.300 3.500 3.515 3.492 3.552 0.052 2 0 "[ . 1]" 1
123 1 17 ALA HA 1 20 VAL H 2.900 2.300 3.500 3.520 3.506 3.535 0.035 4 0 "[ . 1]" 1
124 1 17 ALA HA 1 20 VAL HB 2.900 2.300 3.500 3.134 2.475 3.475 . 0 0 "[ . 1]" 1
125 1 17 ALA MB 1 18 LEU H 2.900 2.300 3.500 2.808 2.625 2.898 . 0 0 "[ . 1]" 1
126 1 18 LEU H 1 18 LEU HB2 2.500 . 3.000 2.050 1.994 2.091 0.006 5 0 "[ . 1]" 1
127 1 18 LEU H 1 18 LEU HB3 2.900 2.300 3.500 2.955 2.886 3.005 . 0 0 "[ . 1]" 1
128 1 18 LEU H 1 19 ALA H 2.500 . 3.000 2.473 2.360 2.615 . 0 0 "[ . 1]" 1
129 1 18 LEU HA 1 19 ALA H 2.900 2.300 3.500 3.512 3.505 3.527 0.027 2 0 "[ . 1]" 1
130 1 18 LEU HA 1 21 GLU H 2.900 2.300 3.500 3.515 3.504 3.531 0.031 2 0 "[ . 1]" 1
131 1 18 LEU HA 1 21 GLU QB 2.900 2.300 3.500 2.999 2.869 3.119 . 0 0 "[ . 1]" 1
132 1 18 LEU HB2 1 19 ALA H 2.900 2.300 3.500 3.507 3.501 3.514 0.014 3 0 "[ . 1]" 1
133 1 18 LEU HB3 1 19 ALA H 2.500 . 3.000 2.964 2.798 3.009 0.009 4 0 "[ . 1]" 1
134 1 19 ALA H 1 19 ALA HA 2.500 . 3.000 2.907 2.871 2.926 . 0 0 "[ . 1]" 1
135 1 19 ALA H 1 19 ALA MB 2.900 2.300 3.500 1.932 1.914 1.949 0.386 5 0 "[ . 1]" 1
136 1 19 ALA H 1 20 VAL H 2.500 . 3.000 2.504 2.426 2.621 . 0 0 "[ . 1]" 1
137 1 19 ALA HA 1 19 ALA MB 2.000 . 2.500 2.111 2.110 2.111 . 0 0 "[ . 1]" 1
138 1 19 ALA HA 1 20 VAL H 2.900 2.300 3.500 3.489 3.436 3.516 0.016 5 0 "[ . 1]" 1
139 1 19 ALA HA 1 21 GLU H 3.800 3.050 4.550 4.096 3.981 4.338 . 0 0 "[ . 1]" 1
140 1 19 ALA HA 1 22 GLN H 2.900 2.300 3.500 3.466 3.339 3.516 0.016 7 0 "[ . 1]" 1
141 1 19 ALA HA 1 22 GLN HB2 3.300 2.600 4.000 3.094 2.863 3.393 . 0 0 "[ . 1]" 1
142 1 19 ALA HA 1 22 GLN HB3 2.900 2.300 3.500 3.442 3.294 3.504 0.004 6 0 "[ . 1]" 1
143 1 19 ALA HA 1 23 PHE H 3.800 3.050 4.550 4.509 4.113 4.555 0.005 8 0 "[ . 1]" 1
144 1 20 VAL H 1 20 VAL HA 2.500 . 3.000 2.914 2.874 2.937 . 0 0 "[ . 1]" 1
145 1 20 VAL H 1 20 VAL HB 2.500 . 3.000 2.230 1.987 2.377 0.013 1 0 "[ . 1]" 1
146 1 20 VAL H 1 20 VAL MG1 3.300 2.600 4.000 2.614 2.224 3.391 0.376 4 0 "[ . 1]" 1
147 1 20 VAL H 1 22 GLN H 3.800 3.050 4.550 3.960 3.763 4.117 . 0 0 "[ . 1]" 1
148 1 20 VAL HA 1 23 PHE H 2.900 2.300 3.500 3.510 3.501 3.515 0.015 10 0 "[ . 1]" 1
149 1 20 VAL HA 1 23 PHE HB2 2.500 . 3.000 2.894 2.593 3.010 0.010 3 0 "[ . 1]" 1
150 1 20 VAL HA 1 23 PHE HB3 3.800 3.050 4.550 4.284 3.816 4.553 0.003 10 0 "[ . 1]" 1
151 1 20 VAL HA 1 24 ILE H 3.800 3.050 4.550 4.449 4.182 4.552 0.002 1 0 "[ . 1]" 1
152 1 21 GLU HA 1 22 GLN H 2.900 2.300 3.500 3.470 3.399 3.519 0.019 2 0 "[ . 1]" 1
153 1 21 GLU HA 1 24 ILE H 2.900 2.300 3.500 3.527 3.514 3.547 0.047 10 0 "[ . 1]" 1
154 1 21 GLU HA 1 24 ILE MG 4.200 3.350 5.050 3.852 3.687 3.970 . 0 0 "[ . 1]" 1
155 1 22 GLN H 1 22 GLN HA 2.500 . 3.000 2.933 2.913 2.966 . 0 0 "[ . 1]" 1
156 1 22 GLN H 1 22 GLN HB2 2.900 2.300 3.500 2.264 2.257 2.271 0.043 9 0 "[ . 1]" 1
157 1 22 GLN H 1 22 GLN HB3 2.500 . 3.000 2.726 2.679 2.842 . 0 0 "[ . 1]" 1
158 1 22 GLN H 1 23 PHE H 2.500 . 3.000 2.424 2.222 2.531 . 0 0 "[ . 1]" 1
159 1 22 GLN H 1 24 ILE H 3.800 3.050 4.550 3.737 3.628 3.816 . 0 0 "[ . 1]" 1
160 1 22 GLN HA 1 22 GLN HB2 2.900 2.300 3.500 2.645 2.617 2.709 . 0 0 "[ . 1]" 1
161 1 22 GLN HA 1 22 GLN HB3 2.900 2.300 3.500 3.005 2.979 3.015 . 0 0 "[ . 1]" 1
162 1 22 GLN HA 1 23 PHE H 2.900 2.300 3.500 3.545 3.518 3.553 0.053 5 0 "[ . 1]" 1
163 1 22 GLN HA 1 25 SER H 2.900 2.300 3.500 3.498 3.409 3.527 0.027 2 0 "[ . 1]" 1
164 1 22 GLN HA 1 25 SER HB2 3.300 2.600 4.000 3.589 3.246 3.846 . 0 0 "[ . 1]" 1
165 1 22 GLN HA 1 25 SER HB3 2.900 2.300 3.500 3.178 2.707 3.502 0.002 2 0 "[ . 1]" 1
166 1 22 GLN HB2 1 23 PHE H 2.900 2.300 3.500 3.534 3.527 3.540 0.040 6 0 "[ . 1]" 1
167 1 22 GLN HB3 1 23 PHE H 2.500 . 3.000 2.523 2.408 2.805 . 0 0 "[ . 1]" 1
168 1 23 PHE H 1 23 PHE HA 2.500 . 3.000 2.887 2.856 2.918 . 0 0 "[ . 1]" 1
169 1 23 PHE H 1 23 PHE HB2 2.500 . 3.000 2.057 1.970 2.280 0.030 3 0 "[ . 1]" 1
170 1 23 PHE H 1 23 PHE HB3 2.900 2.300 3.500 3.389 3.138 3.513 0.013 6 0 "[ . 1]" 1
171 1 23 PHE H 1 24 ILE H 2.500 . 3.000 2.566 2.470 2.655 . 0 0 "[ . 1]" 1
172 1 23 PHE HA 1 23 PHE QD 2.900 2.300 3.500 2.458 2.036 2.961 0.264 6 0 "[ . 1]" 1
173 1 23 PHE HA 1 24 ILE H 3.300 2.600 4.000 3.505 3.480 3.526 . 0 0 "[ . 1]" 1
174 1 23 PHE HA 1 26 ARG H 3.800 3.050 4.550 3.613 3.288 3.973 . 0 0 "[ . 1]" 1
175 1 23 PHE HA 1 26 ARG QB 3.300 2.600 4.000 3.018 2.607 3.564 . 0 0 "[ . 1]" 1
176 1 23 PHE HA 1 27 PHE H 3.800 3.050 4.550 4.351 3.977 4.555 0.005 4 0 "[ . 1]" 1
177 1 23 PHE HB2 1 23 PHE QD 2.500 . 3.000 2.404 2.303 2.707 . 0 0 "[ . 1]" 1
178 1 23 PHE HB3 1 23 PHE QD 2.500 . 3.000 2.548 2.301 2.676 . 0 0 "[ . 1]" 1
179 1 24 ILE H 1 24 ILE HA 2.500 . 3.000 2.920 2.868 2.966 . 0 0 "[ . 1]" 1
180 1 24 ILE H 1 24 ILE HB 2.500 . 3.000 2.207 2.117 2.286 . 0 0 "[ . 1]" 1
181 1 24 ILE H 1 25 SER H 2.500 . 3.000 2.469 2.263 2.640 . 0 0 "[ . 1]" 1
182 1 24 ILE H 1 26 ARG H 3.800 3.050 4.550 3.947 3.746 4.125 . 0 0 "[ . 1]" 1
183 1 24 ILE HA 1 26 ARG H 3.800 3.050 4.550 4.041 3.899 4.190 . 0 0 "[ . 1]" 1
184 1 24 ILE HA 1 27 PHE H 2.900 2.300 3.500 3.272 3.087 3.468 . 0 0 "[ . 1]" 1
185 1 24 ILE HA 1 27 PHE HB2 2.500 . 3.000 2.716 2.422 3.002 0.002 2 0 "[ . 1]" 1
186 1 24 ILE HA 1 27 PHE HB3 2.900 2.300 3.500 3.330 2.980 3.503 0.003 1 0 "[ . 1]" 1
187 1 24 ILE HA 1 28 ASN H 3.800 3.050 4.550 4.118 3.165 4.556 0.006 9 0 "[ . 1]" 1
188 1 24 ILE HB 1 25 SER H 2.900 2.300 3.500 2.754 2.543 3.038 . 0 0 "[ . 1]" 1
189 1 24 ILE MG 1 25 SER H 3.300 2.600 4.000 3.283 3.117 3.332 . 0 0 "[ . 1]" 1
190 1 25 SER H 1 25 SER HA 2.500 . 3.000 2.889 2.862 2.921 . 0 0 "[ . 1]" 1
191 1 25 SER H 1 25 SER HB2 2.500 . 3.000 2.428 2.259 2.531 . 0 0 "[ . 1]" 1
192 1 25 SER H 1 25 SER HB3 2.500 . 3.000 2.458 2.358 2.623 . 0 0 "[ . 1]" 1
193 1 25 SER H 1 26 ARG H 2.900 2.300 3.500 2.560 2.454 2.645 . 0 0 "[ . 1]" 1
194 1 25 SER HA 1 25 SER HB2 2.500 . 3.000 2.501 2.456 2.575 . 0 0 "[ . 1]" 1
195 1 25 SER HA 1 25 SER HB3 2.900 2.300 3.500 3.035 3.026 3.038 . 0 0 "[ . 1]" 1
196 1 25 SER HA 1 26 ARG H 2.900 2.300 3.500 3.501 3.473 3.517 0.017 10 0 "[ . 1]" 1
197 1 25 SER HA 1 27 PHE H 3.800 3.050 4.550 4.373 3.975 4.552 0.002 2 0 "[ . 1]" 1
198 1 25 SER HA 1 28 ASN H 3.300 2.600 4.000 3.893 3.528 4.005 0.005 6 0 "[ . 1]" 1
199 1 25 SER HA 1 28 ASN HB2 3.800 3.050 4.550 3.715 3.098 4.534 . 0 0 "[ . 1]" 1
200 1 25 SER HA 1 28 ASN HB3 3.800 3.050 4.550 4.005 3.047 4.556 0.006 2 0 "[ . 1]" 1
201 1 25 SER HB2 1 26 ARG H 3.300 2.600 4.000 3.983 3.870 4.004 0.004 2 0 "[ . 1]" 1
202 1 25 SER HB3 1 26 ARG H 2.500 . 3.000 2.869 2.784 3.000 . 0 0 "[ . 1]" 1
203 1 26 ARG H 1 26 ARG HB2 2.500 . 3.000 2.205 1.996 2.591 0.004 1 0 "[ . 1]" 1
204 1 26 ARG H 1 26 ARG HB3 2.900 2.300 3.500 3.098 2.425 3.499 . 0 0 "[ . 1]" 1
205 1 26 ARG H 1 27 PHE H 2.500 . 3.000 2.251 2.175 2.395 . 0 0 "[ . 1]" 1
206 1 26 ARG H 1 28 ASN H 3.800 3.050 4.550 3.818 3.634 4.107 . 0 0 "[ . 1]" 1
207 1 26 ARG HA 1 26 ARG HB2 2.900 2.300 3.500 2.826 2.497 3.015 . 0 0 "[ . 1]" 1
208 1 26 ARG HA 1 26 ARG HB3 2.900 2.300 3.500 2.842 2.619 3.037 . 0 0 "[ . 1]" 1
209 1 26 ARG HA 1 27 PHE H 2.900 2.300 3.500 3.494 3.366 3.517 0.017 4 0 "[ . 1]" 1
210 1 26 ARG HA 1 28 ASN H 3.800 3.050 4.550 4.065 3.697 4.545 . 0 0 "[ . 1]" 1
211 1 27 PHE H 1 27 PHE HA 2.900 2.300 3.500 2.935 2.894 2.966 . 0 0 "[ . 1]" 1
212 1 27 PHE H 1 27 PHE HB2 2.500 . 3.000 2.030 1.994 2.062 0.006 8 0 "[ . 1]" 1
213 1 27 PHE H 1 27 PHE HB3 2.900 2.300 3.500 3.115 3.040 3.298 . 0 0 "[ . 1]" 1
214 1 27 PHE H 1 27 PHE QD 3.300 2.600 4.000 3.471 3.040 3.567 . 0 0 "[ . 1]" 1
215 1 27 PHE HA 1 27 PHE QD 2.900 2.300 3.500 2.925 2.920 2.933 . 0 0 "[ . 1]" 1
216 1 27 PHE HA 1 28 ASN H 2.900 2.300 3.500 3.467 3.380 3.536 0.036 7 0 "[ . 1]" 1
217 1 27 PHE HB2 1 27 PHE QD 2.000 . 2.500 2.368 2.368 2.369 . 0 0 "[ . 1]" 1
218 1 27 PHE HB2 1 28 ASN H 3.300 2.600 4.000 3.474 3.024 3.752 . 0 0 "[ . 1]" 1
219 1 27 PHE HB3 1 27 PHE QD 2.000 . 2.500 2.368 2.367 2.370 . 0 0 "[ . 1]" 1
220 1 27 PHE HB3 1 28 ASN H 2.900 2.300 3.500 3.288 3.073 3.512 0.012 10 0 "[ . 1]" 1
221 1 28 ASN H 1 28 ASN HA 2.900 2.300 3.500 2.825 2.730 2.926 . 0 0 "[ . 1]" 1
222 1 28 ASN H 1 28 ASN HB2 2.500 . 3.000 2.402 1.995 2.642 0.005 2 0 "[ . 1]" 1
223 1 28 ASN H 1 28 ASN HB3 2.900 2.300 3.500 2.651 2.296 3.502 0.004 6 0 "[ . 1]" 1
224 1 28 ASN H 1 29 SER H 3.800 3.050 4.550 3.304 3.005 4.083 0.045 7 0 "[ . 1]" 1
225 1 28 ASN HA 1 28 ASN HB2 2.500 . 3.000 2.561 2.375 2.990 . 0 0 "[ . 1]" 1
226 1 28 ASN HA 1 28 ASN HB3 2.500 . 3.000 2.960 2.678 3.030 0.030 4 0 "[ . 1]" 1
227 1 28 ASN HA 1 29 SER H 2.900 2.300 3.500 3.340 2.413 3.569 0.069 5 0 "[ . 1]" 1
228 1 28 ASN HA 1 30 GLY H 3.800 3.050 4.550 3.968 3.627 4.335 . 0 0 "[ . 1]" 1
229 1 28 ASN HA 1 31 TYR H 3.800 3.050 4.550 3.462 3.051 4.037 . 0 0 "[ . 1]" 1
230 1 28 ASN HA 1 31 TYR HB2 3.300 2.600 4.000 3.607 3.053 4.015 0.015 6 0 "[ . 1]" 1
231 1 28 ASN HA 1 31 TYR HB3 3.300 2.600 4.000 3.337 2.764 4.003 0.003 9 0 "[ . 1]" 1
232 1 29 SER H 1 29 SER HA 2.900 2.300 3.500 2.819 2.753 3.003 . 0 0 "[ . 1]" 1
233 1 29 SER H 1 29 SER HB2 2.900 2.300 3.500 2.840 2.299 3.523 0.023 1 0 "[ . 1]" 1
234 1 29 SER H 1 29 SER HB3 2.900 2.300 3.500 2.819 2.295 3.501 0.005 1 0 "[ . 1]" 1
235 1 29 SER HA 1 29 SER HB2 2.500 . 3.000 2.632 2.363 2.990 . 0 0 "[ . 1]" 1
236 1 29 SER HA 1 29 SER HB3 2.900 2.300 3.500 2.676 2.300 3.036 0.000 2 0 "[ . 1]" 1
237 1 29 SER HA 1 32 ILE H 3.300 2.600 4.000 3.760 3.649 3.825 . 0 0 "[ . 1]" 1
238 1 29 SER HA 1 32 ILE HB 2.900 2.300 3.500 3.477 3.200 3.517 0.017 6 0 "[ . 1]" 1
239 1 30 GLY H 1 30 GLY QA 2.900 2.300 3.500 2.255 2.243 2.261 0.057 3 0 "[ . 1]" 1
240 1 30 GLY QA 1 31 TYR H 2.500 . 3.000 2.765 2.747 2.779 . 0 0 "[ . 1]" 1
241 1 30 GLY QA 1 32 ILE H 2.900 2.300 3.500 3.238 3.228 3.250 . 0 0 "[ . 1]" 1
242 1 30 GLY QA 1 33 LYS H 3.800 3.050 4.550 3.631 3.126 4.059 . 0 0 "[ . 1]" 1
243 1 30 GLY QA 1 33 LYS QB . 3.050 3.500 3.687 3.079 4.277 0.777 8 3 "[ *- + 1]" 1
244 1 31 TYR H 1 31 TYR HA 2.900 2.300 3.500 2.886 2.858 2.914 . 0 0 "[ . 1]" 1
245 1 31 TYR H 1 31 TYR HB2 2.900 2.300 3.500 2.448 2.336 2.705 . 0 0 "[ . 1]" 1
246 1 31 TYR H 1 31 TYR HB3 2.000 . 2.500 2.428 2.220 2.524 0.024 4 0 "[ . 1]" 1
247 1 31 TYR H 1 31 TYR QD 3.800 3.050 4.550 4.078 4.029 4.116 . 0 0 "[ . 1]" 1
248 1 31 TYR HA 1 31 TYR QD 2.900 2.300 3.500 2.360 1.953 3.096 0.347 6 0 "[ . 1]" 1
249 1 31 TYR HA 1 32 ILE H 2.900 2.300 3.500 3.348 3.288 3.407 . 0 0 "[ . 1]" 1
250 1 31 TYR HA 1 34 ALA H 2.900 2.300 3.500 3.501 3.434 3.521 0.021 6 0 "[ . 1]" 1
251 1 31 TYR HA 1 34 ALA MB 3.300 2.600 4.000 3.106 2.660 3.335 . 0 0 "[ . 1]" 1
252 1 31 TYR HB2 1 31 TYR QD 2.500 . 3.000 2.593 2.364 2.677 . 0 0 "[ . 1]" 1
253 1 31 TYR HB2 1 32 ILE H 3.800 3.050 4.550 4.277 4.198 4.452 . 0 0 "[ . 1]" 1
254 1 31 TYR HB3 1 31 TYR QD 2.500 . 3.000 2.371 2.302 2.591 . 0 0 "[ . 1]" 1
255 1 31 TYR HB3 1 32 ILE H 3.300 2.600 4.000 3.425 3.296 3.576 . 0 0 "[ . 1]" 1
256 1 32 ILE H 1 32 ILE HB 2.500 . 3.000 2.207 2.142 2.455 . 0 0 "[ . 1]" 1
257 1 32 ILE H 1 33 LYS H 2.500 . 3.000 2.402 2.275 2.544 . 0 0 "[ . 1]" 1
258 1 32 ILE HA 1 32 ILE HB 2.500 . 3.000 3.020 3.015 3.031 0.031 3 0 "[ . 1]" 1
259 1 32 ILE HA 1 33 LYS H 2.900 2.300 3.500 3.499 3.477 3.525 0.025 10 0 "[ . 1]" 1
260 1 32 ILE HA 1 35 SER H 2.900 2.300 3.500 3.423 3.112 3.514 0.014 1 0 "[ . 1]" 1
261 1 32 ILE HB 1 33 LYS H 2.500 . 3.000 2.928 2.813 3.002 0.002 6 0 "[ . 1]" 1
262 1 33 LYS H 1 33 LYS QB 2.900 2.300 3.500 2.100 2.046 2.181 0.254 4 0 "[ . 1]" 1
263 1 33 LYS QB 1 34 ALA H 2.900 2.300 3.500 2.832 2.547 3.119 . 0 0 "[ . 1]" 1
264 1 34 ALA H 1 34 ALA HA 2.500 . 3.000 2.952 2.853 3.003 0.003 4 0 "[ . 1]" 1
265 1 34 ALA H 1 34 ALA MB 2.500 . 3.000 2.136 1.910 2.288 0.090 6 0 "[ . 1]" 1
266 1 34 ALA HA 1 35 SER H 2.900 2.300 3.500 3.512 3.449 3.547 0.047 7 0 "[ . 1]" 1
267 1 34 ALA HA 1 37 GLU H 2.900 2.300 3.500 3.109 2.880 3.416 . 0 0 "[ . 1]" 1
268 1 34 ALA HA 1 37 GLU HB2 2.500 . 3.000 2.723 2.376 3.017 0.017 2 0 "[ . 1]" 1
269 1 34 ALA HA 1 37 GLU HB3 3.300 2.600 4.000 3.533 2.969 4.018 0.018 4 0 "[ . 1]" 1
270 1 34 ALA MB 1 35 SER H 2.900 2.300 3.500 2.752 2.573 2.926 . 0 0 "[ . 1]" 1
271 1 35 SER H 1 35 SER HA 2.500 . 3.000 2.806 2.751 2.857 . 0 0 "[ . 1]" 1
272 1 35 SER H 1 35 SER HB2 2.500 . 3.000 2.185 1.998 2.575 0.002 9 0 "[ . 1]" 1
273 1 35 SER H 1 35 SER HB3 2.900 2.300 3.500 2.881 2.366 3.485 . 0 0 "[ . 1]" 1
274 1 35 SER H 1 36 GLN H 2.500 . 3.000 2.811 2.651 3.000 . 0 0 "[ . 1]" 1
275 1 35 SER HA 1 36 GLN H 2.900 2.300 3.500 3.526 3.467 3.562 0.062 1 0 "[ . 1]" 1
276 1 35 SER HA 1 38 LEU H 2.900 2.300 3.500 3.525 3.519 3.534 0.034 7 0 "[ . 1]" 1
277 1 35 SER HA 1 38 LEU HB2 2.500 . 3.000 2.558 2.368 2.738 . 0 0 "[ . 1]" 1
278 1 35 SER HA 1 38 LEU HB3 3.300 2.600 4.000 3.901 3.677 4.006 0.006 2 0 "[ . 1]" 1
279 1 35 SER HB2 1 36 GLN H 3.300 2.600 4.000 3.557 2.685 4.000 . 0 0 "[ . 1]" 1
280 1 35 SER HB3 1 36 GLN H 2.900 2.300 3.500 2.835 2.490 3.283 . 0 0 "[ . 1]" 1
281 1 36 GLN H 1 36 GLN HA 2.500 . 3.000 2.906 2.874 2.951 . 0 0 "[ . 1]" 1
282 1 36 GLN H 1 36 GLN HB2 2.900 2.300 3.500 2.255 2.238 2.267 0.062 7 0 "[ . 1]" 1
283 1 36 GLN H 1 36 GLN HB3 2.500 . 3.000 2.698 2.653 2.808 . 0 0 "[ . 1]" 1
284 1 36 GLN H 1 37 GLU H 2.900 2.300 3.500 2.536 2.297 2.688 0.003 7 0 "[ . 1]" 1
285 1 36 GLN HA 1 36 GLN HB2 2.500 . 3.000 2.620 2.585 2.690 . 0 0 "[ . 1]" 1
286 1 36 GLN HA 1 36 GLN HB3 2.900 2.300 3.500 3.014 2.991 3.024 . 0 0 "[ . 1]" 1
287 1 36 GLN HA 1 37 GLU H 2.900 2.300 3.500 3.544 3.515 3.556 0.056 10 0 "[ . 1]" 1
288 1 36 GLN HA 1 39 VAL H 2.900 2.300 3.500 3.453 3.348 3.515 0.015 10 0 "[ . 1]" 1
289 1 36 GLN HA 1 39 VAL HB 2.900 2.300 3.500 3.039 2.753 3.366 . 0 0 "[ . 1]" 1
290 1 36 GLN HB2 1 37 GLU H 2.900 2.300 3.500 3.543 3.535 3.552 0.052 7 0 "[ . 1]" 1
291 1 36 GLN HB3 1 37 GLU H 2.900 2.300 3.500 2.444 2.297 2.758 0.003 10 0 "[ . 1]" 1
292 1 37 GLU H 1 37 GLU HA 2.500 . 3.000 2.869 2.832 2.909 . 0 0 "[ . 1]" 1
293 1 37 GLU H 1 37 GLU HB2 2.900 2.300 3.500 2.286 2.277 2.294 0.023 7 0 "[ . 1]" 1
294 1 37 GLU H 1 37 GLU HB3 2.900 2.300 3.500 3.069 2.601 3.514 0.014 8 0 "[ . 1]" 1
295 1 37 GLU HA 1 37 GLU HB2 2.900 2.300 3.500 2.805 2.560 3.033 . 0 0 "[ . 1]" 1
296 1 37 GLU HA 1 37 GLU HB3 2.900 2.300 3.500 2.790 2.545 3.030 . 0 0 "[ . 1]" 1
297 1 37 GLU HA 1 38 LEU H 2.900 2.300 3.500 3.513 3.501 3.529 0.029 4 0 "[ . 1]" 1
298 1 37 GLU HA 1 40 SER H 2.900 2.300 3.500 3.485 3.341 3.518 0.018 4 0 "[ . 1]" 1
299 1 37 GLU HA 1 40 SER HB2 2.500 . 3.000 2.971 2.879 3.006 0.006 10 0 "[ . 1]" 1
300 1 37 GLU HA 1 40 SER HB3 3.300 2.600 4.000 3.634 3.207 4.003 0.003 10 0 "[ . 1]" 1
301 1 38 LEU H 1 38 LEU HA 2.500 . 3.000 2.906 2.888 2.926 . 0 0 "[ . 1]" 1
302 1 38 LEU H 1 38 LEU HB2 2.500 . 3.000 2.006 1.986 2.043 0.014 2 0 "[ . 1]" 1
303 1 38 LEU H 1 38 LEU HB3 2.900 2.300 3.500 3.367 3.317 3.408 . 0 0 "[ . 1]" 1
304 1 38 LEU HA 1 38 LEU HB2 2.500 . 3.000 2.958 2.935 2.981 . 0 0 "[ . 1]" 1
305 1 38 LEU HA 1 38 LEU HB3 2.500 . 3.000 2.739 2.699 2.775 . 0 0 "[ . 1]" 1
306 1 38 LEU HA 1 39 VAL H 2.900 2.300 3.500 3.523 3.510 3.534 0.034 7 0 "[ . 1]" 1
307 1 38 LEU HA 1 40 SER H 3.800 3.050 4.550 4.055 3.898 4.168 . 0 0 "[ . 1]" 1
308 1 38 LEU HA 1 41 TYR H 2.900 2.300 3.500 3.494 3.344 3.523 0.023 2 0 "[ . 1]" 1
309 1 38 LEU HA 1 41 TYR QB 2.900 2.300 3.500 2.946 2.771 3.125 . 0 0 "[ . 1]" 1
310 1 38 LEU HB2 1 39 VAL H 2.500 . 3.000 3.002 3.000 3.007 0.007 4 0 "[ . 1]" 1
311 1 38 LEU HB3 1 39 VAL H 2.900 2.300 3.500 3.353 3.202 3.502 0.002 9 0 "[ . 1]" 1
312 1 39 VAL H 1 39 VAL HA 2.500 . 3.000 2.900 2.879 2.923 . 0 0 "[ . 1]" 1
313 1 39 VAL H 1 39 VAL HB 2.500 . 3.000 2.275 2.184 2.605 . 0 0 "[ . 1]" 1
314 1 39 VAL H 1 40 SER H 2.900 2.300 3.500 2.514 2.433 2.579 . 0 0 "[ . 1]" 1
315 1 39 VAL HA 1 39 VAL HB 2.500 . 3.000 3.021 3.019 3.024 0.024 2 0 "[ . 1]" 1
316 1 39 VAL HA 1 40 SER H 2.900 2.300 3.500 3.500 3.484 3.511 0.011 6 0 "[ . 1]" 1
317 1 39 VAL HA 1 41 TYR H 3.800 3.050 4.550 4.073 3.937 4.194 . 0 0 "[ . 1]" 1
318 1 39 VAL HA 1 42 THR H 2.900 2.300 3.500 3.490 3.357 3.511 0.011 7 0 "[ . 1]" 1
319 1 39 VAL HA 1 42 THR HB 2.900 2.300 3.500 3.346 3.121 3.508 0.008 4 0 "[ . 1]" 1
320 1 39 VAL HB 1 40 SER H 2.500 . 3.000 2.917 2.809 3.002 0.002 4 0 "[ . 1]" 1
321 1 40 SER H 1 40 SER HA 2.500 . 3.000 2.911 2.874 2.932 . 0 0 "[ . 1]" 1
322 1 40 SER H 1 40 SER HB2 2.500 . 3.000 2.107 2.059 2.160 . 0 0 "[ . 1]" 1
323 1 40 SER H 1 40 SER HB3 2.900 2.300 3.500 2.868 2.788 2.958 . 0 0 "[ . 1]" 1
324 1 40 SER H 1 41 TYR H 2.900 2.300 3.500 2.481 2.403 2.603 . 0 0 "[ . 1]" 1
325 1 40 SER HA 1 40 SER HB2 2.900 2.300 3.500 2.710 2.658 2.761 . 0 0 "[ . 1]" 1
326 1 40 SER HA 1 40 SER HB3 2.500 . 3.000 2.974 2.945 3.001 0.001 6 0 "[ . 1]" 1
327 1 40 SER HA 1 41 TYR H 2.900 2.300 3.500 3.506 3.498 3.519 0.019 2 0 "[ . 1]" 1
328 1 40 SER HA 1 43 ILE H 2.900 2.300 3.500 3.426 3.073 3.530 0.030 4 0 "[ . 1]" 1
329 1 40 SER HA 1 43 ILE HB 2.900 2.300 3.500 2.722 2.289 3.133 0.011 6 0 "[ . 1]" 1
330 1 40 SER HB2 1 41 TYR H 3.300 2.600 4.000 3.628 3.518 3.719 . 0 0 "[ . 1]" 1
331 1 40 SER HB3 1 41 TYR H 2.500 . 3.000 2.967 2.861 3.004 0.004 9 0 "[ . 1]" 1
332 1 41 TYR H 1 41 TYR HA 2.500 . 3.000 2.914 2.860 2.940 . 0 0 "[ . 1]" 1
333 1 41 TYR H 1 41 TYR QB 2.500 . 3.000 2.092 1.924 2.209 0.076 2 0 "[ . 1]" 1
334 1 41 TYR H 1 42 THR H 2.900 2.300 3.500 2.471 2.377 2.650 . 0 0 "[ . 1]" 1
335 1 41 TYR HA 1 41 TYR QB 2.500 . 3.000 2.445 2.301 2.549 . 0 0 "[ . 1]" 1
336 1 41 TYR HA 1 41 TYR QD 2.900 2.300 3.500 2.693 2.135 3.118 0.165 2 0 "[ . 1]" 1
337 1 41 TYR HA 1 42 THR H 2.900 2.300 3.500 3.501 3.470 3.525 0.025 2 0 "[ . 1]" 1
338 1 41 TYR QB 1 41 TYR QD 2.500 . 3.000 2.170 2.150 2.246 . 0 0 "[ . 1]" 1
339 1 41 TYR QB 1 42 THR H 2.900 2.300 3.500 2.860 2.750 2.931 . 0 0 "[ . 1]" 1
340 1 42 THR H 1 42 THR HA 2.500 . 3.000 2.969 2.942 2.989 . 0 0 "[ . 1]" 1
341 1 42 THR H 1 42 THR HB 2.500 . 3.000 2.556 2.203 2.755 . 0 0 "[ . 1]" 1
342 1 42 THR H 1 43 ILE H 2.900 2.300 3.500 2.308 2.283 2.372 0.017 4 0 "[ . 1]" 1
343 1 42 THR HA 1 42 THR HB 2.500 2.300 3.000 2.974 2.630 3.024 0.024 5 0 "[ . 1]" 1
344 1 42 THR HA 1 43 ILE H 2.900 2.300 3.500 3.437 3.307 3.570 0.070 6 0 "[ . 1]" 1
345 1 42 THR HA 1 44 LYS H 3.800 3.050 4.550 4.016 3.480 4.468 . 0 0 "[ . 1]" 1
346 1 42 THR HA 1 45 LEU H 2.900 2.300 3.500 3.485 3.340 3.546 0.046 8 0 "[ . 1]" 1
347 1 42 THR HA 1 45 LEU QB 2.900 2.300 3.500 2.541 2.103 3.093 0.197 6 0 "[ . 1]" 1
348 1 42 THR HB 1 43 ILE H 2.900 2.300 3.500 3.202 2.482 3.560 0.060 4 0 "[ . 1]" 1
349 1 43 ILE H 1 43 ILE HA 2.500 . 3.000 2.847 2.765 2.946 . 0 0 "[ . 1]" 1
350 1 43 ILE H 1 43 ILE HB 2.500 . 3.000 2.247 2.123 2.340 . 0 0 "[ . 1]" 1
351 1 43 ILE H 1 44 LYS H 2.900 2.300 3.500 2.684 2.313 2.958 . 0 0 "[ . 1]" 1
352 1 43 ILE HA 1 43 ILE HB 2.500 . 3.000 2.813 2.602 3.021 0.021 8 0 "[ . 1]" 1
353 1 43 ILE HA 1 44 LYS H 2.900 2.300 3.500 3.531 3.501 3.554 0.054 7 0 "[ . 1]" 1
354 1 43 ILE HA 1 45 LEU H 3.800 3.050 4.550 3.877 3.682 4.147 . 0 0 "[ . 1]" 1
355 1 43 ILE HB 1 44 LYS H 2.900 2.300 3.500 3.219 2.822 3.566 0.066 10 0 "[ . 1]" 1
356 1 44 LYS H 1 44 LYS HA 2.500 . 3.000 2.983 2.953 3.004 0.004 8 0 "[ . 1]" 1
357 1 44 LYS H 1 44 LYS QB 2.500 . 3.000 2.181 2.030 2.308 . 0 0 "[ . 1]" 1
358 1 44 LYS H 1 45 LEU H 3.300 2.600 4.000 2.620 2.554 2.756 0.046 8 0 "[ . 1]" 1
359 1 44 LYS HA 1 44 LYS QB 2.500 . 3.000 2.495 2.437 2.547 . 0 0 "[ . 1]" 1
360 1 44 LYS HA 1 45 LEU H 2.500 . 3.000 3.065 3.018 3.091 0.091 6 0 "[ . 1]" 1
361 1 44 LYS QB 1 45 LEU H 3.300 2.600 4.000 3.629 3.604 3.692 . 0 0 "[ . 1]" 1
362 1 45 LEU H 1 45 LEU HA 2.500 . 3.000 2.925 2.836 3.001 0.001 7 0 "[ . 1]" 1
363 1 45 LEU H 1 45 LEU QB 2.900 2.300 3.500 2.480 2.109 2.859 0.191 6 0 "[ . 1]" 1
364 1 45 LEU H 1 46 SER H 3.300 2.600 4.000 3.409 2.618 4.018 0.018 1 0 "[ . 1]" 1
365 1 45 LEU HA 1 45 LEU QB 2.900 2.300 3.500 2.435 2.187 2.549 0.113 8 0 "[ . 1]" 1
366 1 45 LEU HA 1 46 SER H 2.500 . 3.000 2.576 2.208 3.055 0.055 8 0 "[ . 1]" 1
367 1 45 LEU QB 1 46 SER H 3.800 3.050 4.550 3.926 3.744 4.037 . 0 0 "[ . 1]" 1
368 1 46 SER H 1 46 SER HA 2.500 . 3.000 2.778 2.362 2.985 . 0 0 "[ . 1]" 1
369 1 46 SER H 1 46 SER HB2 3.300 2.600 4.000 3.610 3.002 3.985 . 0 0 "[ . 1]" 1
370 1 46 SER H 1 46 SER HB3 2.900 2.300 3.500 3.154 2.841 3.520 0.020 1 0 "[ . 1]" 1
371 1 46 SER H 1 47 HIS H 3.300 2.600 4.000 3.500 2.565 4.045 0.045 10 0 "[ . 1]" 1
372 1 46 SER H 1 48 ASP H 3.800 3.050 4.550 3.927 3.044 4.675 0.125 10 0 "[ . 1]" 1
373 1 46 SER HA 1 46 SER HB2 2.500 . 3.000 2.446 2.275 2.804 . 0 0 "[ . 1]" 1
374 1 46 SER HA 1 46 SER HB3 2.900 2.300 3.500 2.849 2.508 3.035 . 0 0 "[ . 1]" 1
375 1 46 SER HA 1 47 HIS H 2.500 . 3.000 2.459 2.199 2.907 . 0 0 "[ . 1]" 1
376 1 46 SER HA 1 48 ASP H 2.900 2.300 3.500 3.448 3.268 3.543 0.043 8 0 "[ . 1]" 1
377 1 46 SER HB2 1 47 HIS H 3.800 3.050 4.550 4.244 3.543 4.589 0.039 1 0 "[ . 1]" 1
378 1 46 SER HB3 1 47 HIS H 3.800 3.050 4.550 4.363 3.904 4.560 0.010 9 0 "[ . 1]" 1
379 1 47 HIS H 1 47 HIS HA 2.500 . 3.000 2.676 2.363 2.998 . 0 0 "[ . 1]" 1
380 1 47 HIS H 1 47 HIS HB2 2.900 2.300 3.500 2.705 2.180 3.115 0.120 10 0 "[ . 1]" 1
381 1 47 HIS H 1 47 HIS HB3 3.300 2.600 4.000 3.608 2.948 4.013 0.013 2 0 "[ . 1]" 1
382 1 47 HIS H 1 48 ASP H 2.500 . 3.000 2.453 2.063 2.687 . 0 0 "[ . 1]" 1
383 1 47 HIS HA 1 47 HIS HB2 2.500 . 3.000 2.851 2.747 2.874 . 0 0 "[ . 1]" 1
384 1 47 HIS HA 1 47 HIS HB3 2.500 . 3.000 2.865 2.843 2.954 . 0 0 "[ . 1]" 1
385 1 47 HIS HA 1 48 ASP H 2.500 . 3.000 3.082 3.058 3.102 0.102 9 0 "[ . 1]" 1
386 1 47 HIS HB2 1 48 ASP H 3.300 2.600 4.000 4.053 4.022 4.135 0.135 10 0 "[ . 1]" 1
387 1 47 HIS HB3 1 48 ASP H 3.300 2.600 4.000 4.004 3.865 4.042 0.042 8 0 "[ . 1]" 1
388 1 48 ASP H 1 48 ASP HA 2.500 . 3.000 2.823 2.384 3.007 0.007 10 0 "[ . 1]" 1
389 1 48 ASP H 1 48 ASP HB2 2.500 . 3.000 2.466 2.048 2.960 . 0 0 "[ . 1]" 1
390 1 48 ASP H 1 48 ASP HB3 2.500 . 3.000 2.905 2.761 3.102 0.102 2 0 "[ . 1]" 1
391 1 48 ASP H 1 49 PRO QD 3.300 2.600 4.000 2.853 2.302 3.682 0.298 1 0 "[ . 1]" 1
392 1 48 ASP HA 1 48 ASP HB2 2.500 . 3.000 2.604 2.352 2.659 . 0 0 "[ . 1]" 1
393 1 48 ASP HA 1 48 ASP HB3 2.500 . 3.000 2.993 2.976 3.009 0.009 1 0 "[ . 1]" 1
394 1 48 ASP HA 1 49 PRO QD 2.500 . 3.000 2.175 1.839 2.463 0.161 9 0 "[ . 1]" 1
395 1 48 ASP HA 1 50 ILE H 2.900 2.300 3.500 3.515 3.506 3.529 0.029 9 0 "[ . 1]" 1
396 1 48 ASP HA 1 51 GLU H 3.300 2.600 4.000 3.740 3.438 4.012 0.012 8 0 "[ . 1]" 1
397 1 48 ASP HA 1 52 TYR H 4.200 3.350 5.050 5.021 4.675 5.071 0.021 7 0 "[ . 1]" 1
398 1 48 ASP HB2 1 49 PRO QD 3.800 3.050 4.550 4.121 4.094 4.145 . 0 0 "[ . 1]" 1
399 1 48 ASP HB3 1 49 PRO QD 3.800 3.050 4.550 4.133 4.099 4.175 . 0 0 "[ . 1]" 1
400 1 49 PRO HA 1 49 PRO QB 2.500 . 3.000 2.197 2.195 2.199 . 0 0 "[ . 1]" 1
401 1 49 PRO HA 1 50 ILE H 2.900 2.300 3.500 3.541 3.538 3.546 0.046 2 0 "[ . 1]" 1
402 1 49 PRO HA 1 51 GLU H 3.800 3.050 4.550 4.310 4.004 4.553 0.003 9 0 "[ . 1]" 1
403 1 49 PRO HA 1 52 TYR H 2.900 2.300 3.500 3.353 3.215 3.507 0.007 9 0 "[ . 1]" 1
404 1 49 PRO HA 1 52 TYR QB 2.900 2.300 3.500 2.480 2.216 2.810 0.084 2 0 "[ . 1]" 1
405 1 49 PRO HA 1 53 LEU H 3.800 3.050 4.550 4.059 3.822 4.553 0.003 3 0 "[ . 1]" 1
406 1 49 PRO QB 1 50 ILE H 2.900 2.300 3.500 3.134 3.121 3.143 . 0 0 "[ . 1]" 1
407 1 50 ILE H 1 50 ILE HA 2.900 2.300 3.500 2.877 2.850 2.903 . 0 0 "[ . 1]" 1
408 1 50 ILE H 1 50 ILE HB 2.500 . 3.000 2.293 2.168 2.557 . 0 0 "[ . 1]" 1
409 1 50 ILE H 1 51 GLU H 2.900 2.300 3.500 2.622 2.529 2.747 . 0 0 "[ . 1]" 1
410 1 50 ILE HA 1 50 ILE HB 2.500 . 3.000 2.981 2.605 3.032 0.032 5 0 "[ . 1]" 1
411 1 50 ILE HA 1 51 GLU H 2.900 2.300 3.500 3.533 3.485 3.558 0.058 1 0 "[ . 1]" 1
412 1 50 ILE HA 1 52 TYR H 3.800 3.050 4.550 4.160 4.052 4.243 . 0 0 "[ . 1]" 1
413 1 50 ILE HA 1 53 LEU H 2.900 2.300 3.500 3.514 3.471 3.536 0.036 7 0 "[ . 1]" 1
414 1 50 ILE HA 1 53 LEU HB2 3.800 3.050 4.550 3.122 3.032 3.288 0.018 7 0 "[ . 1]" 1
415 1 50 ILE HA 1 53 LEU HB3 2.900 2.300 3.500 3.371 3.177 3.508 0.008 9 0 "[ . 1]" 1
416 1 50 ILE HA 1 54 LEU H 3.800 3.050 4.550 4.323 4.018 4.512 . 0 0 "[ . 1]" 1
417 1 50 ILE HB 1 51 GLU H 2.900 2.300 3.500 2.801 2.550 3.561 0.061 2 0 "[ . 1]" 1
418 1 51 GLU H 1 51 GLU HA 2.500 . 3.000 2.926 2.907 2.945 . 0 0 "[ . 1]" 1
419 1 51 GLU H 1 51 GLU QB 2.500 . 3.000 2.036 1.951 2.149 0.049 1 0 "[ . 1]" 1
420 1 51 GLU H 1 51 GLU HG2 3.800 3.050 4.550 4.121 3.155 4.501 . 0 0 "[ . 1]" 1
421 1 51 GLU H 1 51 GLU HG3 3.300 2.600 4.000 3.766 2.687 4.043 0.043 3 0 "[ . 1]" 1
422 1 51 GLU H 1 52 TYR H 2.900 2.300 3.500 2.421 2.325 2.513 . 0 0 "[ . 1]" 1
423 1 51 GLU HA 1 51 GLU QB 2.500 . 3.000 2.471 2.271 2.551 . 0 0 "[ . 1]" 1
424 1 51 GLU HA 1 52 TYR H 2.900 2.300 3.500 3.488 3.467 3.511 0.011 5 0 "[ . 1]" 1
425 1 51 GLU HA 1 54 LEU H 3.300 2.600 4.000 3.829 3.620 4.012 0.012 8 0 "[ . 1]" 1
426 1 51 GLU HA 1 54 LEU QB 3.300 2.600 4.000 3.213 2.798 3.567 . 0 0 "[ . 1]" 1
427 1 51 GLU QB 1 52 TYR H 2.900 2.300 3.500 2.932 2.856 2.997 . 0 0 "[ . 1]" 1
428 1 52 TYR H 1 52 TYR HA 2.500 . 3.000 2.953 2.937 2.963 . 0 0 "[ . 1]" 1
429 1 52 TYR H 1 52 TYR QB 2.500 . 3.000 2.033 1.993 2.073 0.007 3 0 "[ . 1]" 1
430 1 52 TYR H 1 52 TYR QD 3.300 2.600 4.000 3.244 2.418 3.604 0.182 9 0 "[ . 1]" 1
431 1 52 TYR H 1 53 LEU H 2.900 2.300 3.500 2.312 2.274 2.388 0.026 10 0 "[ . 1]" 1
432 1 52 TYR HA 1 52 TYR QB 2.500 . 3.000 2.414 2.240 2.549 . 0 0 "[ . 1]" 1
433 1 52 TYR HA 1 52 TYR QD 3.300 2.600 4.000 2.955 2.470 3.291 0.130 4 0 "[ . 1]" 1
434 1 52 TYR HA 1 53 LEU H 2.900 2.300 3.500 3.505 3.474 3.524 0.024 5 0 "[ . 1]" 1
435 1 52 TYR HA 1 54 LEU H 3.800 3.050 4.550 4.415 4.224 4.556 0.006 9 0 "[ . 1]" 1
436 1 52 TYR HA 1 55 GLU H 3.300 2.600 4.000 3.546 3.346 3.792 . 0 0 "[ . 1]" 1
437 1 52 TYR HA 1 55 GLU HB2 2.900 2.300 3.500 3.157 2.754 3.506 0.006 8 0 "[ . 1]" 1
438 1 52 TYR HA 1 55 GLU HB3 3.300 2.600 4.000 3.382 2.802 4.001 0.001 8 0 "[ . 1]" 1
439 1 52 TYR HA 1 56 GLN H 3.800 3.050 4.550 4.486 4.172 4.563 0.013 5 0 "[ . 1]" 1
440 1 52 TYR QB 1 52 TYR QD 2.900 2.300 3.500 2.162 2.149 2.213 0.151 3 0 "[ . 1]" 1
441 1 52 TYR QB 1 53 LEU H 2.900 2.300 3.500 2.947 2.816 3.120 . 0 0 "[ . 1]" 1
442 1 53 LEU H 1 53 LEU HA 2.500 . 3.000 2.909 2.879 2.950 . 0 0 "[ . 1]" 1
443 1 53 LEU H 1 53 LEU HB2 2.500 . 3.000 2.138 2.053 2.192 . 0 0 "[ . 1]" 1
444 1 53 LEU H 1 53 LEU HB3 2.900 2.300 3.500 2.830 2.716 2.938 . 0 0 "[ . 1]" 1
445 1 53 LEU H 1 54 LEU H 2.500 . 3.000 2.521 2.335 2.674 . 0 0 "[ . 1]" 1
446 1 53 LEU HA 1 53 LEU HB2 2.500 . 3.000 2.687 2.616 2.742 . 0 0 "[ . 1]" 1
447 1 53 LEU HA 1 53 LEU HB3 2.500 . 3.000 2.982 2.956 3.009 0.009 8 0 "[ . 1]" 1
448 1 53 LEU HA 1 54 LEU H 2.900 2.300 3.500 3.543 3.523 3.563 0.063 8 0 "[ . 1]" 1
449 1 53 LEU HA 1 56 GLN H 2.900 2.300 3.500 3.424 3.145 3.525 0.025 9 0 "[ . 1]" 1
450 1 53 LEU HA 1 56 GLN HB2 3.300 2.600 4.000 3.448 2.644 3.876 . 0 0 "[ . 1]" 1
451 1 53 LEU HA 1 56 GLN HB3 2.500 . 3.000 2.892 2.528 3.004 0.004 9 0 "[ . 1]" 1
452 1 53 LEU HB2 1 54 LEU H 2.900 2.300 3.500 3.509 3.501 3.520 0.020 7 0 "[ . 1]" 1
453 1 53 LEU HB3 1 54 LEU H 2.900 2.300 3.500 2.660 2.375 2.901 . 0 0 "[ . 1]" 1
454 1 54 LEU H 1 54 LEU HA 2.500 . 3.000 2.882 2.782 2.915 . 0 0 "[ . 1]" 1
455 1 54 LEU H 1 54 LEU QB 2.500 . 3.000 2.042 1.927 2.178 0.073 7 0 "[ . 1]" 1
456 1 54 LEU H 1 55 GLU H 2.500 . 3.000 2.589 2.470 2.971 . 0 0 "[ . 1]" 1
457 1 54 LEU HA 1 54 LEU QB 2.500 . 3.000 2.491 2.355 2.550 . 0 0 "[ . 1]" 1
458 1 54 LEU HA 1 55 GLU H 2.900 2.300 3.500 3.524 3.506 3.569 0.069 8 0 "[ . 1]" 1
459 1 54 LEU HA 1 57 ILE H 2.900 2.300 3.500 3.512 3.505 3.521 0.021 8 0 "[ . 1]" 1
460 1 54 LEU HA 1 57 ILE HB 2.900 2.300 3.500 3.033 2.806 3.260 . 0 0 "[ . 1]" 1
461 1 54 LEU HA 1 58 GLN H 3.800 3.050 4.550 4.386 4.163 4.555 0.005 7 0 "[ . 1]" 1
462 1 54 LEU QB 1 55 GLU H 2.900 2.300 3.500 2.753 2.464 2.868 . 0 0 "[ . 1]" 1
463 1 55 GLU H 1 55 GLU HA 2.500 . 3.000 2.912 2.896 2.922 . 0 0 "[ . 1]" 1
464 1 55 GLU H 1 55 GLU HB2 2.500 . 3.000 2.127 2.007 2.202 . 0 0 "[ . 1]" 1
465 1 55 GLU H 1 55 GLU HB3 2.500 . 3.000 2.842 2.737 3.008 0.008 8 0 "[ . 1]" 1
466 1 55 GLU H 1 56 GLN H 2.500 . 3.000 2.476 2.438 2.524 . 0 0 "[ . 1]" 1
467 1 55 GLU HA 1 55 GLU HB2 2.500 . 3.000 2.698 2.643 2.777 . 0 0 "[ . 1]" 1
468 1 55 GLU HA 1 55 GLU HB3 2.500 . 3.000 2.979 2.937 3.004 0.004 5 0 "[ . 1]" 1
469 1 55 GLU HA 1 56 GLN H 2.900 2.300 3.500 3.514 3.500 3.530 0.030 5 0 "[ . 1]" 1
470 1 55 GLU HA 1 58 GLN H 2.900 2.300 3.500 3.401 3.204 3.526 0.026 8 0 "[ . 1]" 1
471 1 55 GLU HA 1 58 GLN HG2 4.200 3.350 5.050 4.922 4.573 5.058 0.008 4 0 "[ . 1]" 1
472 1 55 GLU HB2 1 56 GLN H 3.300 2.600 4.000 3.616 3.427 3.715 . 0 0 "[ . 1]" 1
473 1 55 GLU HB3 1 56 GLN H 2.500 . 3.000 2.902 2.742 2.993 . 0 0 "[ . 1]" 1
474 1 56 GLN H 1 56 GLN HA 2.500 . 3.000 2.916 2.887 2.935 . 0 0 "[ . 1]" 1
475 1 56 GLN H 1 56 GLN QB 2.500 . 3.000 2.154 2.059 2.204 . 0 0 "[ . 1]" 1
476 1 56 GLN H 1 57 ILE H 2.500 . 3.000 2.469 2.400 2.566 . 0 0 "[ . 1]" 1
477 1 56 GLN HA 1 56 GLN QB 2.500 . 3.000 2.385 2.297 2.527 . 0 0 "[ . 1]" 1
478 1 56 GLN HA 1 57 ILE H 2.900 2.300 3.500 3.489 3.457 3.515 0.015 4 0 "[ . 1]" 1
479 1 56 GLN HA 1 59 ASN HB2 3.800 3.050 4.550 3.359 3.154 3.578 . 0 0 "[ . 1]" 1
480 1 56 GLN HA 1 59 ASN HB3 2.900 2.300 3.500 3.505 3.490 3.511 0.011 9 0 "[ . 1]" 1
481 1 56 GLN QB 1 57 ILE H 2.900 2.300 3.500 2.891 2.777 3.030 . 0 0 "[ . 1]" 1
482 1 57 ILE H 1 57 ILE HA 2.500 . 3.000 2.950 2.936 2.960 . 0 0 "[ . 1]" 1
483 1 57 ILE H 1 57 ILE HB 2.500 . 3.000 2.068 2.038 2.098 . 0 0 "[ . 1]" 1
484 1 57 ILE H 1 57 ILE MG 2.900 2.300 3.500 2.937 2.936 2.938 . 0 0 "[ . 1]" 1
485 1 57 ILE H 1 58 GLN H 2.500 . 3.000 2.306 2.253 2.370 . 0 0 "[ . 1]" 1
486 1 57 ILE HA 1 57 ILE HB 2.500 . 3.000 2.813 2.808 2.818 . 0 0 "[ . 1]" 1
487 1 57 ILE HA 1 57 ILE MG 2.900 2.300 3.500 3.005 3.002 3.010 . 0 0 "[ . 1]" 1
488 1 57 ILE HA 1 58 GLN H 2.900 2.300 3.500 3.514 3.497 3.528 0.028 5 0 "[ . 1]" 1
489 1 57 ILE HA 1 60 LEU H 2.900 2.300 3.500 3.500 3.469 3.509 0.009 9 0 "[ . 1]" 1
490 1 57 ILE HA 1 60 LEU HB2 2.900 2.300 3.500 3.096 2.918 3.501 0.001 5 0 "[ . 1]" 1
491 1 57 ILE HA 1 60 LEU HB3 2.900 2.300 3.500 3.478 3.378 3.506 0.006 5 0 "[ . 1]" 1
492 1 57 ILE HA 1 61 HIS H 3.800 3.050 4.550 4.300 3.749 4.556 0.006 7 0 "[ . 1]" 1
493 1 57 ILE HB 1 58 GLN H 2.900 2.300 3.500 3.408 3.351 3.476 . 0 0 "[ . 1]" 1
494 1 58 GLN H 1 58 GLN HA 2.500 . 3.000 2.925 2.904 2.939 . 0 0 "[ . 1]" 1
495 1 58 GLN H 1 58 GLN HB2 2.500 . 3.000 2.038 2.019 2.049 . 0 0 "[ . 1]" 1
496 1 58 GLN H 1 58 GLN HB3 2.500 . 3.000 3.001 2.981 3.013 0.013 8 0 "[ . 1]" 1
497 1 58 GLN H 1 59 ASN H 2.500 . 3.000 2.424 2.371 2.501 . 0 0 "[ . 1]" 1
498 1 58 GLN HA 1 58 GLN HB2 2.500 . 3.000 2.781 2.765 2.791 . 0 0 "[ . 1]" 1
499 1 58 GLN HA 1 58 GLN HB3 2.500 . 3.000 2.931 2.923 2.943 . 0 0 "[ . 1]" 1
500 1 58 GLN HA 1 59 ASN H 2.900 2.300 3.500 3.501 3.487 3.509 0.009 5 0 "[ . 1]" 1
501 1 58 GLN HA 1 61 HIS HB2 2.900 2.300 3.500 3.050 2.793 3.432 . 0 0 "[ . 1]" 1
502 1 58 GLN HA 1 61 HIS HB3 3.300 2.600 4.000 3.863 3.080 4.006 0.006 10 0 "[ . 1]" 1
503 1 58 GLN HB2 1 59 ASN H 2.900 2.300 3.500 3.498 3.459 3.513 0.013 8 0 "[ . 1]" 1
504 1 58 GLN HB3 1 59 ASN H 2.900 2.300 3.500 3.077 3.004 3.150 . 0 0 "[ . 1]" 1
505 1 59 ASN H 1 59 ASN HA 2.500 . 3.000 2.941 2.904 2.964 . 0 0 "[ . 1]" 1
506 1 59 ASN H 1 59 ASN HB2 2.500 . 3.000 2.133 2.089 2.187 . 0 0 "[ . 1]" 1
507 1 59 ASN H 1 59 ASN HB3 2.500 . 3.000 2.898 2.822 2.953 . 0 0 "[ . 1]" 1
508 1 59 ASN H 1 60 LEU H 2.500 . 3.000 2.365 2.264 2.511 . 0 0 "[ . 1]" 1
509 1 59 ASN HA 1 59 ASN HB2 2.500 . 3.000 2.733 2.695 2.761 . 0 0 "[ . 1]" 1
510 1 59 ASN HA 1 59 ASN HB3 2.500 . 3.000 2.961 2.944 2.982 . 0 0 "[ . 1]" 1
511 1 59 ASN HA 1 60 LEU H 2.900 2.300 3.500 3.524 3.513 3.537 0.037 9 0 "[ . 1]" 1
512 1 59 ASN HB2 1 60 LEU H 2.900 2.300 3.500 3.508 3.500 3.516 0.016 9 0 "[ . 1]" 1
513 1 59 ASN HB3 1 60 LEU H 2.900 2.300 3.500 2.871 2.718 2.989 . 0 0 "[ . 1]" 1
514 1 60 LEU H 1 60 LEU HA 2.500 . 3.000 2.907 2.864 2.948 . 0 0 "[ . 1]" 1
515 1 60 LEU H 1 60 LEU HB2 2.500 . 3.000 2.051 1.998 2.191 0.002 9 0 "[ . 1]" 1
516 1 60 LEU H 1 60 LEU HB3 2.500 . 3.000 2.961 2.814 3.004 0.004 6 0 "[ . 1]" 1
517 1 60 LEU H 1 61 HIS H 2.500 . 3.000 2.495 2.345 2.638 . 0 0 "[ . 1]" 1
518 1 60 LEU HA 1 60 LEU HB2 2.500 . 3.000 2.753 2.691 2.786 . 0 0 "[ . 1]" 1
519 1 60 LEU HA 1 60 LEU HB3 2.500 . 3.000 2.948 2.927 2.984 . 0 0 "[ . 1]" 1
520 1 60 LEU HA 1 61 HIS H 2.900 2.300 3.500 3.516 3.501 3.543 0.043 5 0 "[ . 1]" 1
521 1 60 LEU HA 1 63 VAL H 2.900 2.300 3.500 3.305 2.754 3.508 0.008 5 0 "[ . 1]" 1
522 1 60 LEU HA 1 63 VAL HB 2.900 2.300 3.500 2.891 2.300 3.374 . 0 0 "[ . 1]" 1
523 1 60 LEU HA 1 63 VAL MG1 4.200 3.350 5.050 4.097 3.673 4.603 . 0 0 "[ . 1]" 1
524 1 60 LEU HB2 1 61 HIS H 2.900 2.300 3.500 3.505 3.502 3.511 0.011 5 0 "[ . 1]" 1
525 1 60 LEU HB3 1 61 HIS H 2.900 2.300 3.500 2.953 2.680 3.101 . 0 0 "[ . 1]" 1
526 1 61 HIS H 1 61 HIS HA 2.500 . 3.000 2.864 2.765 2.930 . 0 0 "[ . 1]" 1
527 1 61 HIS H 1 61 HIS HB2 2.500 . 3.000 2.015 1.992 2.061 0.008 6 0 "[ . 1]" 1
528 1 61 HIS H 1 61 HIS HB3 2.500 . 3.000 2.994 2.957 3.014 0.014 8 0 "[ . 1]" 1
529 1 61 HIS H 1 62 ARG H 2.500 . 3.000 2.624 2.408 2.899 . 0 0 "[ . 1]" 1
530 1 61 HIS HA 1 61 HIS HB2 . 2.600 3.000 2.749 2.701 2.780 . 0 0 "[ . 1]" 1
531 1 61 HIS HA 1 61 HIS HB3 2.500 . 3.000 2.951 2.932 2.976 . 0 0 "[ . 1]" 1
532 1 61 HIS HA 1 62 ARG H 2.900 2.300 3.500 3.517 3.503 3.536 0.036 8 0 "[ . 1]" 1
533 1 61 HIS HB2 1 62 ARG H 2.900 2.300 3.500 3.506 3.501 3.512 0.012 4 0 "[ . 1]" 1
534 1 61 HIS HB3 1 62 ARG H 2.900 2.300 3.500 2.939 2.731 3.074 . 0 0 "[ . 1]" 1
535 1 62 ARG H 1 62 ARG HA 2.500 . 3.000 2.921 2.859 2.958 . 0 0 "[ . 1]" 1
536 1 62 ARG H 1 62 ARG HB2 2.500 . 3.000 2.046 1.994 2.112 0.006 6 0 "[ . 1]" 1
537 1 62 ARG H 1 62 ARG HB3 2.500 . 3.000 3.001 2.989 3.017 0.017 7 0 "[ . 1]" 1
538 1 62 ARG H 1 63 VAL H 2.900 2.300 3.500 2.440 2.294 2.656 0.006 1 0 "[ . 1]" 1
539 1 62 ARG HA 1 62 ARG HB2 2.500 . 3.000 2.777 2.750 2.794 . 0 0 "[ . 1]" 1
540 1 62 ARG HA 1 62 ARG HB3 2.500 . 3.000 2.933 2.919 2.950 . 0 0 "[ . 1]" 1
541 1 62 ARG HA 1 63 VAL H 2.900 2.300 3.500 3.505 3.480 3.520 0.020 6 0 "[ . 1]" 1
542 1 62 ARG HB2 1 63 VAL H 2.900 2.300 3.500 3.504 3.501 3.518 0.018 7 0 "[ . 1]" 1
543 1 62 ARG HB3 1 63 VAL H 2.900 2.300 3.500 3.062 2.937 3.174 . 0 0 "[ . 1]" 1
544 1 63 VAL H 1 63 VAL HA 2.500 . 3.000 2.897 2.750 2.980 . 0 0 "[ . 1]" 1
545 1 63 VAL H 1 63 VAL HB 2.500 . 3.000 2.305 2.125 2.915 . 0 0 "[ . 1]" 1
546 1 63 VAL H 1 64 THR H 2.900 2.300 3.500 2.562 2.294 2.981 0.006 6 0 "[ . 1]" 1
547 1 63 VAL HA 1 63 VAL HB 2.500 . 3.000 2.974 2.601 3.024 0.024 8 0 "[ . 1]" 1
548 1 63 VAL HA 1 64 THR H 2.900 2.300 3.500 3.471 3.308 3.569 0.069 2 0 "[ . 1]" 1
549 1 63 VAL HA 1 66 ALA H 2.900 2.300 3.500 3.317 2.857 3.594 0.094 2 0 "[ . 1]" 1
550 1 63 VAL HA 1 66 ALA MB 2.900 2.300 3.500 4.414 2.571 5.462 1.962 2 6 "[*+ ** *-]" 1
551 1 63 VAL HB 1 64 THR H 2.900 2.300 3.500 3.067 2.271 3.568 0.068 7 0 "[ . 1]" 1
552 1 64 THR H 1 64 THR HA 2.500 . 3.000 2.824 2.355 2.934 . 0 0 "[ . 1]" 1
553 1 64 THR H 1 64 THR HB 2.500 . 3.000 2.487 2.189 3.049 0.049 2 0 "[ . 1]" 1
554 1 64 THR H 1 65 LEU H 2.900 2.300 3.500 2.697 2.394 3.603 0.103 2 0 "[ . 1]" 1
555 1 64 THR HA 1 64 THR HB 2.500 . 3.000 2.997 2.859 3.022 0.022 5 0 "[ . 1]" 1
556 1 64 THR HA 1 64 THR HG1 2.500 . 3.000 2.266 2.057 2.383 . 0 0 "[ . 1]" 1
557 1 64 THR HA 1 65 LEU H 2.900 2.300 3.500 3.491 3.409 3.568 0.068 2 0 "[ . 1]" 1
558 1 64 THR HB 1 65 LEU H 2.900 2.300 3.500 2.991 2.825 3.257 . 0 0 "[ . 1]" 1
559 1 65 LEU H 1 65 LEU HA 2.500 . 3.000 2.945 2.850 2.961 . 0 0 "[ . 1]" 1
560 1 65 LEU H 1 65 LEU HB2 2.500 . 3.000 2.108 1.995 2.248 0.005 7 0 "[ . 1]" 1
561 1 65 LEU H 1 65 LEU HB3 2.500 . 3.000 2.984 2.830 3.002 0.002 3 0 "[ . 1]" 1
562 1 65 LEU H 1 66 ALA H 2.900 2.300 3.500 2.343 2.286 2.680 0.014 2 0 "[ . 1]" 1
563 1 65 LEU HA 1 65 LEU HB2 2.500 . 3.000 2.772 2.699 2.787 . 0 0 "[ . 1]" 1
564 1 65 LEU HA 1 65 LEU HB3 2.500 . 3.000 2.935 2.926 2.978 . 0 0 "[ . 1]" 1
565 1 65 LEU HA 1 66 ALA H 2.900 2.300 3.500 3.511 3.502 3.544 0.044 4 0 "[ . 1]" 1
566 1 65 LEU HB2 1 66 ALA H 2.900 2.300 3.500 3.501 3.497 3.506 0.006 7 0 "[ . 1]" 1
567 1 65 LEU HB3 1 66 ALA H 2.900 2.300 3.500 3.032 2.692 3.097 . 0 0 "[ . 1]" 1
568 1 66 ALA H 1 66 ALA HA 2.500 . 3.000 2.709 2.366 3.001 0.001 7 0 "[ . 1]" 1
569 1 66 ALA H 1 66 ALA MB 3.300 2.600 4.000 2.649 2.205 2.868 0.395 8 0 "[ . 1]" 1
570 1 66 ALA H 1 67 GLU H 3.300 2.600 4.000 3.447 2.600 4.001 0.001 8 0 "[ . 1]" 1
571 1 66 ALA HA 1 66 ALA MB 2.900 2.300 3.500 2.137 2.114 2.156 0.186 2 0 "[ . 1]" 1
572 1 66 ALA HA 1 67 GLU H 2.500 . 3.000 2.450 2.219 2.898 . 0 0 "[ . 1]" 1
573 1 66 ALA MB 1 67 GLU H 3.800 3.050 4.550 3.617 3.215 3.731 . 0 0 "[ . 1]" 1
574 1 67 GLU H 1 67 GLU HA 2.500 . 3.000 2.654 2.365 2.993 . 0 0 "[ . 1]" 1
575 1 67 GLU H 1 67 GLU HB2 3.300 2.600 4.000 3.258 2.599 3.840 0.001 10 0 "[ . 1]" 1
576 1 67 GLU H 1 67 GLU HB3 3.300 2.600 4.000 3.474 2.600 4.002 0.002 5 0 "[ . 1]" 1
577 1 67 GLU H 1 68 GLY H 2.900 2.300 3.500 3.008 2.444 3.500 . 0 0 "[ . 1]" 1
578 1 67 GLU HA 1 67 GLU HB2 2.900 2.300 3.500 2.758 2.390 3.036 . 0 0 "[ . 1]" 1
579 1 67 GLU HA 1 67 GLU HB3 2.900 2.300 3.500 2.715 2.442 3.027 . 0 0 "[ . 1]" 1
580 1 67 GLU HA 1 68 GLY H 2.500 . 3.000 2.721 2.315 3.003 0.003 3 0 "[ . 1]" 1
581 1 67 GLU HB2 1 68 GLY H 3.800 3.050 4.550 4.461 4.152 4.551 0.001 1 0 "[ . 1]" 1
582 1 67 GLU HB3 1 68 GLY H 3.800 3.050 4.550 4.353 4.118 4.554 0.004 3 0 "[ . 1]" 1
583 1 68 GLY H 1 68 GLY QA 2.500 . 3.000 2.334 2.235 2.499 . 0 0 "[ . 1]" 1
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