NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
374065 |
1e52   |
4622 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e52
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 686
_Distance_constraint_stats_list.Viol_count 1077
_Distance_constraint_stats_list.Viol_total 1258.019
_Distance_constraint_stats_list.Viol_max 0.657
_Distance_constraint_stats_list.Viol_rms 0.0322
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0584
_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 8 LEU 0.044 0.044 7 0 "[ . 1 . 2]"
1 9 GLU 0.044 0.044 7 0 "[ . 1 . 2]"
1 10 PRO 0.190 0.082 14 0 "[ . 1 . 2]"
1 11 ASP 1.107 0.105 5 0 "[ . 1 . 2]"
1 12 ASN 1.620 0.425 14 0 "[ . 1 . 2]"
1 13 VAL 0.740 0.425 14 0 "[ . 1 . 2]"
1 14 PRO 2.796 0.272 17 0 "[ . 1 . 2]"
1 15 MET 2.789 0.272 17 0 "[ . 1 . 2]"
1 16 ASP 1.477 0.478 11 0 "[ . 1 . 2]"
1 17 MET 1.448 0.478 11 0 "[ . 1 . 2]"
1 18 SER 0.002 0.002 14 0 "[ . 1 . 2]"
1 19 PRO 3.514 0.498 10 0 "[ . 1 . 2]"
1 20 LYS 3.382 0.498 10 0 "[ . 1 . 2]"
1 21 ALA 0.281 0.094 14 0 "[ . 1 . 2]"
1 22 LEU 0.364 0.094 14 0 "[ . 1 . 2]"
1 23 GLN 0.399 0.044 16 0 "[ . 1 . 2]"
1 24 GLN 0.257 0.044 16 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.109 0.036 14 0 "[ . 1 . 2]"
1 27 HIS 0.225 0.043 1 0 "[ . 1 . 2]"
1 28 GLU 0.095 0.021 1 0 "[ . 1 . 2]"
1 29 LEU 0.099 0.025 10 0 "[ . 1 . 2]"
1 30 GLU 0.247 0.025 2 0 "[ . 1 . 2]"
1 31 GLY 0.019 0.012 10 0 "[ . 1 . 2]"
1 32 LEU 0.153 0.025 2 0 "[ . 1 . 2]"
1 33 MET 0.754 0.161 2 0 "[ . 1 . 2]"
1 34 MET 0.141 0.079 10 0 "[ . 1 . 2]"
1 35 GLN 0.422 0.041 8 0 "[ . 1 . 2]"
1 36 HIS 0.381 0.041 8 0 "[ . 1 . 2]"
1 37 ALA 2.439 0.171 8 0 "[ . 1 . 2]"
1 38 GLN 0.637 0.079 10 0 "[ . 1 . 2]"
1 39 ASN 0.159 0.059 4 0 "[ . 1 . 2]"
1 40 LEU 3.806 0.171 8 0 "[ . 1 . 2]"
1 41 GLU 1.768 0.126 4 0 "[ . 1 . 2]"
1 42 PHE 2.799 0.306 4 0 "[ . 1 . 2]"
1 43 GLU 8.970 0.656 20 9 "[ .** *1 * **- *+]"
1 44 GLU 7.525 0.656 20 9 "[ .** *1 * **- *+]"
1 45 ALA 4.210 0.306 4 0 "[ . 1 . 2]"
1 46 ALA 1.871 0.163 8 0 "[ . 1 . 2]"
1 47 GLN 0.039 0.012 4 0 "[ . 1 . 2]"
1 48 ILE 1.129 0.132 8 0 "[ . 1 . 2]"
1 49 ARG 1.291 0.161 2 0 "[ . 1 . 2]"
1 50 ASP 0.275 0.058 13 0 "[ . 1 . 2]"
1 51 GLN 0.994 0.116 18 0 "[ . 1 . 2]"
1 52 LEU 0.191 0.040 9 0 "[ . 1 . 2]"
1 53 HIS 0.003 0.003 6 0 "[ . 1 . 2]"
1 54 GLN 0.031 0.027 3 0 "[ . 1 . 2]"
1 55 LEU 0.009 0.006 10 0 "[ . 1 . 2]"
1 56 ARG 0.056 0.045 20 0 "[ . 1 . 2]"
1 57 GLU 0.541 0.143 18 0 "[ . 1 . 2]"
1 58 LEU 0.453 0.143 18 0 "[ . 1 . 2]"
1 59 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ILE 0.209 0.023 18 0 "[ . 1 . 2]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ALA 0.089 0.023 18 0 "[ . 1 . 2]"
1 63 SER 0.253 0.024 20 0 "[ . 1 . 2]"
2 8 LEU 0.043 0.043 7 0 "[ . 1 . 2]"
2 9 GLU 0.044 0.043 7 0 "[ . 1 . 2]"
2 10 PRO 0.193 0.083 14 0 "[ . 1 . 2]"
2 11 ASP 1.109 0.104 5 0 "[ . 1 . 2]"
2 12 ASN 1.619 0.427 14 0 "[ . 1 . 2]"
2 13 VAL 0.742 0.427 14 0 "[ . 1 . 2]"
2 14 PRO 2.796 0.272 17 0 "[ . 1 . 2]"
2 15 MET 2.787 0.272 17 0 "[ . 1 . 2]"
2 16 ASP 1.483 0.480 11 0 "[ . 1 . 2]"
2 17 MET 1.454 0.480 11 0 "[ . 1 . 2]"
2 18 SER 0.002 0.002 14 0 "[ . 1 . 2]"
2 19 PRO 3.518 0.497 10 0 "[ . 1 . 2]"
2 20 LYS 3.385 0.497 10 0 "[ . 1 . 2]"
2 21 ALA 0.280 0.095 14 0 "[ . 1 . 2]"
2 22 LEU 0.367 0.095 14 0 "[ . 1 . 2]"
2 23 GLN 0.400 0.045 16 0 "[ . 1 . 2]"
2 24 GLN 0.259 0.045 16 0 "[ . 1 . 2]"
2 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 ILE 0.114 0.038 14 0 "[ . 1 . 2]"
2 27 HIS 0.223 0.045 1 0 "[ . 1 . 2]"
2 28 GLU 0.093 0.021 1 0 "[ . 1 . 2]"
2 29 LEU 0.105 0.024 10 0 "[ . 1 . 2]"
2 30 GLU 0.244 0.025 2 0 "[ . 1 . 2]"
2 31 GLY 0.017 0.010 10 0 "[ . 1 . 2]"
2 32 LEU 0.153 0.025 2 0 "[ . 1 . 2]"
2 33 MET 0.766 0.163 2 0 "[ . 1 . 2]"
2 34 MET 0.142 0.079 10 0 "[ . 1 . 2]"
2 35 GLN 0.416 0.041 8 0 "[ . 1 . 2]"
2 36 HIS 0.375 0.041 8 0 "[ . 1 . 2]"
2 37 ALA 2.442 0.165 8 0 "[ . 1 . 2]"
2 38 GLN 0.639 0.079 10 0 "[ . 1 . 2]"
2 39 ASN 0.169 0.060 4 0 "[ . 1 . 2]"
2 40 LEU 3.821 0.165 8 0 "[ . 1 . 2]"
2 41 GLU 1.770 0.125 4 0 "[ . 1 . 2]"
2 42 PHE 2.793 0.305 4 0 "[ . 1 . 2]"
2 43 GLU 8.986 0.657 20 9 "[ .** *1 * **- *+]"
2 44 GLU 7.528 0.657 20 9 "[ .** *1 * **- *+]"
2 45 ALA 4.213 0.305 4 0 "[ . 1 . 2]"
2 46 ALA 1.892 0.157 8 0 "[ . 1 . 2]"
2 47 GLN 0.036 0.013 8 0 "[ . 1 . 2]"
2 48 ILE 1.136 0.133 8 0 "[ . 1 . 2]"
2 49 ARG 1.284 0.163 2 0 "[ . 1 . 2]"
2 50 ASP 0.282 0.058 13 0 "[ . 1 . 2]"
2 51 GLN 1.002 0.114 18 0 "[ . 1 . 2]"
2 52 LEU 0.192 0.040 9 0 "[ . 1 . 2]"
2 53 HIS 0.005 0.005 6 0 "[ . 1 . 2]"
2 54 GLN 0.030 0.024 3 0 "[ . 1 . 2]"
2 55 LEU 0.008 0.005 10 0 "[ . 1 . 2]"
2 56 ARG 0.057 0.045 20 0 "[ . 1 . 2]"
2 57 GLU 0.543 0.143 18 0 "[ . 1 . 2]"
2 58 LEU 0.454 0.143 18 0 "[ . 1 . 2]"
2 59 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 ILE 0.208 0.023 18 0 "[ . 1 . 2]"
2 61 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 ALA 0.090 0.023 18 0 "[ . 1 . 2]"
2 63 SER 0.251 0.025 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 8 LEU HA 1 9 GLU H 2.800 . 3.000 2.425 2.216 3.044 0.044 7 0 "[ . 1 . 2]" 1
2 1 8 LEU MD1 1 9 GLU H 5.500 . 6.000 4.562 2.283 5.347 . 0 0 "[ . 1 . 2]" 1
3 1 9 GLU H 1 10 PRO HD3 2.800 . 3.000 2.632 2.109 3.000 0.000 18 0 "[ . 1 . 2]" 1
4 1 10 PRO HA 1 11 ASP H 3.500 . 4.000 3.584 3.570 3.592 . 0 0 "[ . 1 . 2]" 1
5 1 10 PRO HA 1 13 VAL H 3.500 . 4.000 3.729 3.487 4.065 0.065 14 0 "[ . 1 . 2]" 1
6 1 10 PRO HB2 1 11 ASP H 2.800 . 3.000 2.914 2.736 3.082 0.082 14 0 "[ . 1 . 2]" 1
7 1 10 PRO HB3 1 11 ASP H 3.500 . 4.000 3.908 3.818 4.006 0.006 14 0 "[ . 1 . 2]" 1
8 1 10 PRO HD2 1 11 ASP HA 5.500 . 6.000 4.737 4.673 5.420 . 0 0 "[ . 1 . 2]" 1
9 1 10 PRO HD3 1 11 ASP H 3.500 . 4.000 3.819 3.790 3.868 . 0 0 "[ . 1 . 2]" 1
10 1 10 PRO HG2 1 11 ASP H 2.800 . 3.000 2.008 1.928 2.164 . 0 0 "[ . 1 . 2]" 1
11 1 11 ASP H 1 12 ASN H 3.500 . 4.000 3.985 2.708 4.105 0.105 5 0 "[ . 1 . 2]" 1
12 1 11 ASP HA 1 12 ASN H 3.500 . 4.000 3.547 3.477 3.574 . 0 0 "[ . 1 . 2]" 1
13 1 11 ASP HB2 1 12 ASN H 2.800 . 3.000 2.640 2.262 3.001 0.001 1 0 "[ . 1 . 2]" 1
14 1 12 ASN H 1 13 VAL HA 5.500 . 6.000 4.285 4.034 4.714 . 0 0 "[ . 1 . 2]" 1
15 1 12 ASN H 1 13 VAL HB 3.500 . 4.000 3.799 3.477 4.425 0.425 14 0 "[ . 1 . 2]" 1
16 1 12 ASN H 1 13 VAL MG1 5.500 . 6.000 4.990 3.763 5.351 . 0 0 "[ . 1 . 2]" 1
17 1 12 ASN HD21 1 13 VAL HB 5.500 . 6.000 5.812 5.117 6.036 0.036 6 0 "[ . 1 . 2]" 1
18 1 13 VAL H 1 14 PRO HD2 2.800 . 3.000 2.051 1.917 2.509 . 0 0 "[ . 1 . 2]" 1
19 1 13 VAL H 1 14 PRO HD3 2.800 . 3.000 2.551 2.093 3.002 0.002 4 0 "[ . 1 . 2]" 1
20 1 13 VAL HA 1 14 PRO HD2 5.500 . 6.000 3.982 3.882 4.212 . 0 0 "[ . 1 . 2]" 1
21 1 13 VAL HA 1 14 PRO HD3 3.500 . 4.000 3.918 3.754 4.014 0.014 20 0 "[ . 1 . 2]" 1
22 1 13 VAL MG1 1 14 PRO HG3 3.500 . 4.000 3.502 2.704 3.591 . 0 0 "[ . 1 . 2]" 1
23 1 13 VAL MG2 1 14 PRO HD3 5.500 . 6.000 3.646 3.568 3.986 . 0 0 "[ . 1 . 2]" 1
24 1 14 PRO HB2 1 15 MET H 2.800 . 3.000 2.653 1.974 3.038 0.038 16 0 "[ . 1 . 2]" 1
25 1 14 PRO HD2 1 15 MET HA 5.500 . 6.000 4.728 4.510 5.012 . 0 0 "[ . 1 . 2]" 1
26 1 14 PRO HD3 1 15 MET HA 5.500 . 6.000 6.132 6.031 6.272 0.272 17 0 "[ . 1 . 2]" 1
27 1 14 PRO HG2 1 15 MET H 2.800 . 3.000 2.011 1.903 2.250 . 0 0 "[ . 1 . 2]" 1
28 1 14 PRO HG3 1 15 MET H 3.500 . 4.000 3.522 3.421 3.633 . 0 0 "[ . 1 . 2]" 1
29 1 15 MET HA 1 16 ASP H 2.800 . 3.000 2.542 2.209 3.031 0.031 14 0 "[ . 1 . 2]" 1
30 1 15 MET HG3 1 16 ASP H 3.500 . 4.000 3.385 1.945 3.996 . 0 0 "[ . 1 . 2]" 1
31 1 16 ASP H 1 17 MET H 2.800 . 3.000 2.888 2.250 3.112 0.112 14 0 "[ . 1 . 2]" 1
32 1 16 ASP HA 1 17 MET H 2.800 . 3.000 2.705 2.408 3.478 0.478 11 0 "[ . 1 . 2]" 1
33 1 16 ASP HA 1 17 MET HG2 3.500 . 4.000 3.885 3.595 4.145 0.145 14 0 "[ . 1 . 2]" 1
34 1 17 MET H 1 18 SER H 2.800 . 3.000 2.536 1.902 2.874 . 0 0 "[ . 1 . 2]" 1
35 1 17 MET HA 1 18 SER H 3.500 . 4.000 3.534 3.479 3.571 . 0 0 "[ . 1 . 2]" 1
36 1 17 MET HG2 1 18 SER H 2.800 . 3.000 2.337 1.941 3.002 0.002 14 0 "[ . 1 . 2]" 1
37 1 17 MET HG3 1 18 SER H 2.800 . 3.000 2.355 1.944 2.839 . 0 0 "[ . 1 . 2]" 1
38 1 18 SER HB3 1 22 LEU MD2 5.500 . 6.000 5.026 3.888 5.372 . 0 0 "[ . 1 . 2]" 1
39 1 19 PRO HA 1 20 LYS H 2.800 . 3.000 3.114 2.633 3.498 0.498 10 0 "[ . 1 . 2]" 1
40 1 19 PRO HA 1 22 LEU QB 5.500 . 6.000 5.120 3.626 5.413 . 0 0 "[ . 1 . 2]" 1
41 1 19 PRO HG2 1 22 LEU MD2 5.500 . 6.000 2.992 2.543 4.372 . 0 0 "[ . 1 . 2]" 1
42 1 19 PRO HG3 1 22 LEU MD2 3.500 . 4.000 2.998 1.916 3.664 . 0 0 "[ . 1 . 2]" 1
43 1 19 PRO HG3 1 63 SER H 2.800 . 3.000 2.970 2.665 3.024 0.024 20 0 "[ . 1 . 2]" 1
44 1 20 LYS H 1 21 ALA MB 5.500 . 6.000 5.022 4.909 5.171 . 0 0 "[ . 1 . 2]" 1
45 1 20 LYS H 1 23 GLN QB 2.800 . 3.000 2.591 2.304 2.761 . 0 0 "[ . 1 . 2]" 1
46 1 20 LYS HA 1 21 ALA H 3.500 . 4.000 3.593 3.584 3.599 . 0 0 "[ . 1 . 2]" 1
47 1 20 LYS HA 1 23 GLN QB 2.800 . 3.000 2.341 2.038 2.685 . 0 0 "[ . 1 . 2]" 1
48 1 20 LYS HA 1 24 GLN H 3.500 . 4.000 3.546 3.146 3.893 . 0 0 "[ . 1 . 2]" 1
49 1 20 LYS HA 1 24 GLN HB2 5.500 . 6.000 4.062 3.430 4.734 . 0 0 "[ . 1 . 2]" 1
50 1 20 LYS HB2 1 21 ALA H 3.500 . 4.000 3.258 1.848 3.494 . 0 0 "[ . 1 . 2]" 1
51 1 20 LYS QD 1 21 ALA H 2.800 . 3.000 2.637 2.291 2.769 . 0 0 "[ . 1 . 2]" 1
52 1 20 LYS QD 1 22 LEU H 5.500 . 6.000 4.806 4.497 4.994 . 0 0 "[ . 1 . 2]" 1
53 1 20 LYS QD 1 23 GLN H 5.500 . 6.000 5.224 4.896 5.434 . 0 0 "[ . 1 . 2]" 1
54 1 21 ALA H 1 22 LEU H 2.800 . 3.000 2.987 2.642 3.094 0.094 14 0 "[ . 1 . 2]" 1
55 1 21 ALA H 1 23 GLN QB 5.500 . 6.000 4.649 4.368 4.933 . 0 0 "[ . 1 . 2]" 1
56 1 21 ALA HA 1 25 LYS H 5.500 . 6.000 4.313 3.872 4.579 . 0 0 "[ . 1 . 2]" 1
57 1 21 ALA HA 1 25 LYS QD 3.500 . 4.000 3.442 3.186 3.566 . 0 0 "[ . 1 . 2]" 1
58 1 22 LEU H 1 23 GLN H 2.800 . 3.000 2.584 2.337 2.988 . 0 0 "[ . 1 . 2]" 1
59 1 22 LEU H 1 23 GLN QB 5.500 . 6.000 4.137 3.940 4.470 . 0 0 "[ . 1 . 2]" 1
60 1 22 LEU HA 1 23 GLN H 3.500 . 4.000 3.556 3.513 3.590 . 0 0 "[ . 1 . 2]" 1
61 1 22 LEU HA 1 25 LYS H 3.500 . 4.000 3.431 3.253 3.660 . 0 0 "[ . 1 . 2]" 1
62 1 22 LEU HA 1 25 LYS QB 2.800 . 3.000 2.363 2.037 2.561 . 0 0 "[ . 1 . 2]" 1
63 1 22 LEU HA 1 26 ILE H 3.500 . 4.000 3.730 3.384 4.036 0.036 14 0 "[ . 1 . 2]" 1
64 1 22 LEU QB 1 23 GLN H 2.800 . 3.000 2.374 1.881 2.680 . 0 0 "[ . 1 . 2]" 1
65 1 22 LEU QB 1 25 LYS H 5.500 . 6.000 4.878 4.653 5.132 . 0 0 "[ . 1 . 2]" 1
66 1 22 LEU QB 1 26 ILE H 5.500 . 6.000 4.653 4.131 5.266 . 0 0 "[ . 1 . 2]" 1
67 1 22 LEU MD1 1 23 GLN H 3.500 . 4.000 3.657 3.602 3.722 . 0 0 "[ . 1 . 2]" 1
68 1 23 GLN H 1 24 GLN H 2.800 . 3.000 2.942 2.842 3.044 0.044 16 0 "[ . 1 . 2]" 1
69 1 23 GLN HA 1 24 GLN H 3.500 . 4.000 3.577 3.534 3.592 . 0 0 "[ . 1 . 2]" 1
70 1 23 GLN HA 1 26 ILE H 3.500 . 4.000 3.871 3.598 4.015 0.015 6 0 "[ . 1 . 2]" 1
71 1 23 GLN HA 1 26 ILE MD 3.500 . 4.000 2.684 2.047 3.077 . 0 0 "[ . 1 . 2]" 1
72 1 23 GLN HA 1 27 HIS H 3.500 . 4.000 3.974 3.745 4.043 0.043 1 0 "[ . 1 . 2]" 1
73 1 23 GLN QB 1 24 GLN HA 5.500 . 6.000 4.123 3.874 4.316 . 0 0 "[ . 1 . 2]" 1
74 1 23 GLN HG2 1 24 GLN H 3.500 . 4.000 3.836 3.487 4.034 0.034 10 0 "[ . 1 . 2]" 1
75 1 23 GLN HG3 1 27 HIS H 5.500 . 6.000 5.446 4.113 5.964 . 0 0 "[ . 1 . 2]" 1
76 1 24 GLN H 1 25 LYS H 2.800 . 3.000 2.632 2.433 2.799 . 0 0 "[ . 1 . 2]" 1
77 1 24 GLN HA 1 27 HIS H 3.500 . 4.000 3.822 3.455 4.008 0.008 16 0 "[ . 1 . 2]" 1
78 1 24 GLN HB3 1 25 LYS H 2.800 . 3.000 2.585 2.256 2.769 . 0 0 "[ . 1 . 2]" 1
79 1 24 GLN HB3 1 27 HIS H 5.500 . 6.000 5.828 5.514 6.019 0.019 1 0 "[ . 1 . 2]" 1
80 1 24 GLN HE21 1 28 GLU HG2 2.800 . 3.000 2.740 2.396 3.006 0.006 14 0 "[ . 1 . 2]" 1
81 1 25 LYS H 1 26 ILE H 2.800 . 3.000 2.742 2.594 2.937 . 0 0 "[ . 1 . 2]" 1
82 1 25 LYS H 1 55 LEU MD2 5.500 . 6.000 4.961 4.299 5.343 . 0 0 "[ . 1 . 2]" 1
83 1 25 LYS HA 1 28 GLU H 3.500 . 4.000 3.605 3.375 3.906 . 0 0 "[ . 1 . 2]" 1
84 1 25 LYS QB 1 55 LEU QB 5.500 . 6.000 4.405 3.775 4.981 . 0 0 "[ . 1 . 2]" 1
85 1 25 LYS QB 1 55 LEU MD2 3.500 . 4.000 2.570 2.036 3.267 . 0 0 "[ . 1 . 2]" 1
86 1 25 LYS QD 1 55 LEU MD2 5.500 . 6.000 3.949 3.018 5.171 . 0 0 "[ . 1 . 2]" 1
87 1 25 LYS QG 1 55 LEU MD2 5.500 . 6.000 3.659 2.863 4.701 . 0 0 "[ . 1 . 2]" 1
88 1 26 ILE H 1 27 HIS H 2.800 . 3.000 2.819 2.527 3.001 0.001 2 0 "[ . 1 . 2]" 1
89 1 26 ILE H 1 29 LEU HB2 5.500 . 6.000 5.290 4.708 5.945 . 0 0 "[ . 1 . 2]" 1
90 1 26 ILE HA 1 27 HIS H 3.500 . 4.000 3.588 3.575 3.594 . 0 0 "[ . 1 . 2]" 1
91 1 26 ILE HB 1 27 HIS H 2.800 . 3.000 2.290 2.163 2.478 . 0 0 "[ . 1 . 2]" 1
92 1 26 ILE MD 1 27 HIS H 5.500 . 6.000 4.145 3.973 4.356 . 0 0 "[ . 1 . 2]" 1
93 1 26 ILE MD 1 56 ARG H 5.500 . 6.000 4.612 3.897 5.202 . 0 0 "[ . 1 . 2]" 1
94 1 26 ILE MD 1 59 PHE H 5.500 . 6.000 4.484 3.276 5.345 . 0 0 "[ . 1 . 2]" 1
95 1 26 ILE QG 1 55 LEU MD2 5.500 . 6.000 2.469 1.860 3.210 . 0 0 "[ . 1 . 2]" 1
96 1 26 ILE MG 1 27 HIS H 5.500 . 6.000 3.167 2.942 3.369 . 0 0 "[ . 1 . 2]" 1
97 1 27 HIS H 1 28 GLU H 2.800 . 3.000 2.669 2.490 2.760 . 0 0 "[ . 1 . 2]" 1
98 1 27 HIS HA 1 28 GLU H 3.500 . 4.000 3.500 3.477 3.544 . 0 0 "[ . 1 . 2]" 1
99 1 27 HIS HA 1 30 GLU H 3.500 . 4.000 3.761 3.595 3.905 . 0 0 "[ . 1 . 2]" 1
100 1 27 HIS HA 1 31 GLY H 5.500 . 6.000 4.094 3.370 4.645 . 0 0 "[ . 1 . 2]" 1
101 1 27 HIS QB 1 28 GLU H 3.500 . 4.000 2.864 2.658 2.967 . 0 0 "[ . 1 . 2]" 1
102 1 28 GLU H 1 29 LEU H 2.800 . 3.000 2.577 2.455 2.946 . 0 0 "[ . 1 . 2]" 1
103 1 28 GLU H 1 30 GLU H 3.500 . 4.000 3.923 3.705 4.021 0.021 1 0 "[ . 1 . 2]" 1
104 1 28 GLU H 1 52 LEU MD2 5.500 . 6.000 5.002 4.446 5.346 . 0 0 "[ . 1 . 2]" 1
105 1 28 GLU HA 1 29 LEU H 3.500 . 4.000 3.576 3.548 3.591 . 0 0 "[ . 1 . 2]" 1
106 1 28 GLU HA 1 30 GLU H 5.500 . 6.000 4.561 4.173 4.778 . 0 0 "[ . 1 . 2]" 1
107 1 28 GLU HA 1 31 GLY H 3.500 . 4.000 3.862 3.413 4.012 0.012 10 0 "[ . 1 . 2]" 1
108 1 28 GLU HB2 1 30 GLU H 5.500 . 6.000 5.124 4.639 5.839 . 0 0 "[ . 1 . 2]" 1
109 1 28 GLU HB3 1 29 LEU H 3.500 . 4.000 2.913 2.353 3.575 . 0 0 "[ . 1 . 2]" 1
110 1 28 GLU HB3 1 31 GLY H 5.500 . 6.000 5.689 5.299 5.936 . 0 0 "[ . 1 . 2]" 1
111 1 28 GLU HB3 1 32 LEU H 5.500 . 6.000 5.662 5.136 6.000 0.000 3 0 "[ . 1 . 2]" 1
112 1 29 LEU H 1 30 GLU H 2.800 . 3.000 2.615 2.496 2.825 . 0 0 "[ . 1 . 2]" 1
113 1 29 LEU H 1 31 GLY H 5.500 . 6.000 4.316 4.022 4.802 . 0 0 "[ . 1 . 2]" 1
114 1 29 LEU H 1 32 LEU H 5.500 . 6.000 4.794 4.587 4.988 . 0 0 "[ . 1 . 2]" 1
115 1 29 LEU H 1 32 LEU HB3 5.500 . 6.000 5.635 5.260 6.017 0.017 11 0 "[ . 1 . 2]" 1
116 1 29 LEU H 1 52 LEU HG 5.500 . 6.000 5.930 5.363 6.025 0.025 10 0 "[ . 1 . 2]" 1
117 1 29 LEU HA 1 30 GLU H 3.500 . 4.000 3.558 3.518 3.578 . 0 0 "[ . 1 . 2]" 1
118 1 29 LEU HA 1 32 LEU MD1 5.500 . 6.000 4.224 3.305 4.982 . 0 0 "[ . 1 . 2]" 1
119 1 29 LEU HA 1 32 LEU MD2 3.500 . 4.000 3.063 2.543 3.431 . 0 0 "[ . 1 . 2]" 1
120 1 29 LEU HB2 1 32 LEU H 5.500 . 6.000 5.432 5.201 5.630 . 0 0 "[ . 1 . 2]" 1
121 1 29 LEU HB2 1 52 LEU MD2 3.500 . 4.000 2.028 1.840 3.054 . 0 0 "[ . 1 . 2]" 1
122 1 29 LEU MD2 1 48 ILE MG 5.500 . 6.000 2.186 1.894 2.704 . 0 0 "[ . 1 . 2]" 1
123 1 30 GLU H 1 31 GLY H 2.800 . 3.000 2.786 2.638 2.885 . 0 0 "[ . 1 . 2]" 1
124 1 30 GLU H 1 32 LEU H 3.500 . 4.000 3.969 3.772 4.025 0.025 2 0 "[ . 1 . 2]" 1
125 1 30 GLU H 1 32 LEU HB3 5.500 . 6.000 5.364 5.012 5.725 . 0 0 "[ . 1 . 2]" 1
126 1 30 GLU H 1 52 LEU MD2 3.500 . 4.000 2.475 2.156 3.544 . 0 0 "[ . 1 . 2]" 1
127 1 30 GLU H 1 52 LEU HG 3.500 . 4.000 3.965 3.779 4.011 0.011 19 0 "[ . 1 . 2]" 1
128 1 30 GLU HA 1 31 GLY H 3.500 . 4.000 3.576 3.551 3.592 . 0 0 "[ . 1 . 2]" 1
129 1 30 GLU HA 1 32 LEU H 5.500 . 6.000 4.196 3.929 4.398 . 0 0 "[ . 1 . 2]" 1
130 1 30 GLU HA 1 33 MET ME 3.500 . 4.000 3.338 2.849 3.584 . 0 0 "[ . 1 . 2]" 1
131 1 30 GLU QB 1 31 GLY H 3.500 . 4.000 2.389 2.113 2.584 . 0 0 "[ . 1 . 2]" 1
132 1 30 GLU HG2 1 31 GLY H 5.500 . 6.000 4.269 3.988 4.653 . 0 0 "[ . 1 . 2]" 1
133 1 30 GLU HG2 1 33 MET ME 3.500 . 4.000 3.340 2.987 3.571 . 0 0 "[ . 1 . 2]" 1
134 1 30 GLU HG2 1 34 MET H 5.500 . 6.000 5.246 4.248 5.873 . 0 0 "[ . 1 . 2]" 1
135 1 30 GLU HG3 1 33 MET ME 5.500 . 6.000 4.008 3.263 4.817 . 0 0 "[ . 1 . 2]" 1
136 1 31 GLY H 1 32 LEU H 2.800 . 3.000 2.575 2.417 2.741 . 0 0 "[ . 1 . 2]" 1
137 1 31 GLY H 1 32 LEU HB3 5.500 . 6.000 5.117 4.780 5.482 . 0 0 "[ . 1 . 2]" 1
138 1 31 GLY HA3 1 34 MET H 5.500 . 6.000 3.670 3.133 4.088 . 0 0 "[ . 1 . 2]" 1
139 1 32 LEU H 1 33 MET H 2.800 . 3.000 2.610 2.429 2.965 . 0 0 "[ . 1 . 2]" 1
140 1 32 LEU HA 1 33 MET H 3.500 . 4.000 3.535 3.488 3.598 . 0 0 "[ . 1 . 2]" 1
141 1 32 LEU HB2 1 33 MET H 3.500 . 4.000 3.667 3.248 3.976 . 0 0 "[ . 1 . 2]" 1
142 1 32 LEU HB3 1 33 MET H 2.800 . 3.000 2.749 2.160 3.008 0.008 6 0 "[ . 1 . 2]" 1
143 1 32 LEU HB3 1 45 ALA HA 5.500 . 6.000 5.251 4.480 5.851 . 0 0 "[ . 1 . 2]" 1
144 1 32 LEU HB3 1 48 ILE MD 5.500 . 6.000 2.695 1.885 4.125 . 0 0 "[ . 1 . 2]" 1
145 1 32 LEU MD1 1 33 MET H 5.500 . 6.000 4.693 4.308 4.885 . 0 0 "[ . 1 . 2]" 1
146 1 32 LEU MD1 1 35 GLN H 5.500 . 6.000 5.025 4.718 5.356 . 0 0 "[ . 1 . 2]" 1
147 1 32 LEU MD1 1 35 GLN HE21 3.500 . 4.000 3.006 2.316 3.558 . 0 0 "[ . 1 . 2]" 1
148 1 32 LEU MD2 1 48 ILE HB 5.500 . 6.000 4.888 4.263 5.292 . 0 0 "[ . 1 . 2]" 1
149 1 32 LEU MD2 1 51 GLN HE22 5.500 . 6.000 5.155 4.657 5.349 . 0 0 "[ . 1 . 2]" 1
150 1 33 MET H 1 34 MET H 3.500 . 4.000 2.798 2.422 3.000 . 0 0 "[ . 1 . 2]" 1
151 1 33 MET H 1 34 MET QB 5.500 . 6.000 4.431 4.026 4.772 . 0 0 "[ . 1 . 2]" 1
152 1 33 MET H 1 48 ILE MG 3.500 . 4.000 3.522 3.018 3.574 . 0 0 "[ . 1 . 2]" 1
153 1 33 MET ME 1 52 LEU MD1 5.500 . 6.000 4.360 1.760 4.709 0.040 9 0 "[ . 1 . 2]" 1
154 1 33 MET ME 1 52 LEU HG 3.500 . 4.000 3.557 3.300 3.607 . 0 0 "[ . 1 . 2]" 1
155 1 33 MET ME 2 40 LEU HG 2.800 . 3.000 2.561 2.261 2.682 . 0 0 "[ . 1 . 2]" 1
156 1 33 MET ME 2 42 PHE QD 3.500 . 4.000 3.555 2.875 3.722 . 0 0 "[ . 1 . 2]" 1
157 1 33 MET ME 2 42 PHE QE 3.500 . 4.000 2.223 1.753 2.937 0.047 2 0 "[ . 1 . 2]" 1
158 1 33 MET HG2 1 49 ARG H 3.500 . 4.000 3.835 3.067 4.161 0.161 2 0 "[ . 1 . 2]" 1
159 1 33 MET HG3 1 46 ALA H 5.500 . 6.000 5.462 4.156 6.140 0.140 10 0 "[ . 1 . 2]" 1
160 1 34 MET H 1 35 GLN H 2.800 . 3.000 2.744 2.455 2.993 . 0 0 "[ . 1 . 2]" 1
161 1 34 MET H 1 35 GLN HA 5.500 . 6.000 5.369 5.088 5.582 . 0 0 "[ . 1 . 2]" 1
162 1 34 MET H 1 36 HIS H 5.500 . 6.000 4.989 3.838 5.353 . 0 0 "[ . 1 . 2]" 1
163 1 34 MET H 1 37 ALA MB 5.500 . 6.000 4.224 3.932 4.795 . 0 0 "[ . 1 . 2]" 1
164 1 34 MET HA 1 35 GLN H 3.500 . 4.000 3.561 3.531 3.597 . 0 0 "[ . 1 . 2]" 1
165 1 34 MET HA 1 37 ALA MB 2.800 . 3.000 2.342 1.912 2.686 . 0 0 "[ . 1 . 2]" 1
166 1 34 MET HA 1 38 GLN H 3.500 . 4.000 3.827 3.598 4.079 0.079 10 0 "[ . 1 . 2]" 1
167 1 34 MET QB 1 35 GLN H 2.800 . 3.000 2.518 2.082 2.693 . 0 0 "[ . 1 . 2]" 1
168 1 34 MET ME 2 38 GLN QG 3.500 . 4.000 3.361 2.943 3.567 . 0 0 "[ . 1 . 2]" 1
169 1 34 MET ME 2 40 LEU HG 3.500 . 4.000 3.339 2.948 3.572 . 0 0 "[ . 1 . 2]" 1
170 1 34 MET QG 1 35 GLN H 5.500 . 6.000 3.992 3.576 4.363 . 0 0 "[ . 1 . 2]" 1
171 1 35 GLN H 1 36 HIS H 3.500 . 4.000 3.188 2.726 3.440 . 0 0 "[ . 1 . 2]" 1
172 1 35 GLN H 1 37 ALA MB 5.500 . 6.000 4.440 4.016 5.094 . 0 0 "[ . 1 . 2]" 1
173 1 35 GLN HA 1 36 HIS H 3.500 . 4.000 3.557 3.494 3.568 . 0 0 "[ . 1 . 2]" 1
174 1 35 GLN HA 1 37 ALA H 5.500 . 6.000 4.941 4.489 5.334 . 0 0 "[ . 1 . 2]" 1
175 1 35 GLN HA 1 38 GLN H 3.500 . 4.000 3.904 3.731 4.026 0.026 13 0 "[ . 1 . 2]" 1
176 1 35 GLN HA 1 38 GLN HB3 5.500 . 6.000 4.366 3.907 5.270 . 0 0 "[ . 1 . 2]" 1
177 1 35 GLN HG2 1 36 HIS H 2.800 . 3.000 2.839 2.397 3.008 0.008 19 0 "[ . 1 . 2]" 1
178 1 35 GLN HG3 1 36 HIS H 2.800 . 3.000 2.833 2.062 3.041 0.041 8 0 "[ . 1 . 2]" 1
179 1 36 HIS H 1 37 ALA MB 5.500 . 6.000 4.301 3.958 4.530 . 0 0 "[ . 1 . 2]" 1
180 1 36 HIS H 1 45 ALA MB 3.500 . 4.000 3.416 3.107 3.589 . 0 0 "[ . 1 . 2]" 1
181 1 36 HIS HA 1 37 ALA H 3.500 . 4.000 3.590 3.545 3.600 . 0 0 "[ . 1 . 2]" 1
182 1 36 HIS HA 1 39 ASN H 3.500 . 4.000 3.216 3.075 3.358 . 0 0 "[ . 1 . 2]" 1
183 1 36 HIS HA 1 40 LEU H 5.500 . 6.000 5.028 4.822 5.294 . 0 0 "[ . 1 . 2]" 1
184 1 37 ALA H 1 38 GLN H 2.800 . 3.000 2.855 2.773 2.916 . 0 0 "[ . 1 . 2]" 1
185 1 37 ALA H 1 40 LEU H 5.500 . 6.000 5.256 5.035 5.410 . 0 0 "[ . 1 . 2]" 1
186 1 37 ALA H 1 40 LEU HA 5.500 . 6.000 6.111 6.034 6.171 0.171 8 0 "[ . 1 . 2]" 1
187 1 37 ALA H 1 45 ALA MB 3.500 . 4.000 2.531 1.879 3.581 . 0 0 "[ . 1 . 2]" 1
188 1 37 ALA HA 1 38 GLN H 3.500 . 4.000 3.558 3.512 3.582 . 0 0 "[ . 1 . 2]" 1
189 1 37 ALA HA 1 40 LEU H 3.500 . 4.000 3.733 3.546 3.994 . 0 0 "[ . 1 . 2]" 1
190 1 37 ALA HA 1 41 GLU H 3.500 . 4.000 3.553 2.977 3.970 . 0 0 "[ . 1 . 2]" 1
191 1 37 ALA HA 1 42 PHE H 2.800 . 3.000 2.865 2.574 3.119 0.119 18 0 "[ . 1 . 2]" 1
192 1 37 ALA HA 2 37 ALA MB 5.500 . 6.000 3.401 2.429 4.247 . 0 0 "[ . 1 . 2]" 1
193 1 37 ALA HA 2 46 ALA MB 5.500 . 6.000 5.415 5.375 5.467 . 0 0 "[ . 1 . 2]" 1
194 1 37 ALA MB 1 38 GLN H 3.500 . 4.000 2.563 2.351 2.778 . 0 0 "[ . 1 . 2]" 1
195 1 37 ALA MB 1 40 LEU H 5.500 . 6.000 4.595 4.389 4.834 . 0 0 "[ . 1 . 2]" 1
196 1 37 ALA MB 2 37 ALA HA 5.500 . 6.000 3.401 2.416 4.261 . 0 0 "[ . 1 . 2]" 1
197 1 37 ALA MB 2 40 LEU HG 5.500 . 6.000 5.073 4.440 5.368 . 0 0 "[ . 1 . 2]" 1
198 1 37 ALA MB 2 42 PHE QD 5.500 . 6.000 3.634 2.380 4.575 . 0 0 "[ . 1 . 2]" 1
199 1 37 ALA MB 2 42 PHE QE 3.500 . 4.000 2.949 1.912 3.607 . 0 0 "[ . 1 . 2]" 1
200 1 38 GLN H 1 39 ASN H 2.800 . 3.000 2.560 2.395 2.764 . 0 0 "[ . 1 . 2]" 1
201 1 38 GLN H 1 40 LEU H 3.500 . 4.000 4.016 3.887 4.052 0.052 20 0 "[ . 1 . 2]" 1
202 1 38 GLN HA 1 39 ASN H 3.500 . 4.000 3.541 3.526 3.567 . 0 0 "[ . 1 . 2]" 1
203 1 38 GLN HA 1 40 LEU H 3.500 . 4.000 3.649 3.572 3.721 . 0 0 "[ . 1 . 2]" 1
204 1 38 GLN HB2 1 39 ASN H 2.800 . 3.000 2.873 2.682 3.002 0.002 14 0 "[ . 1 . 2]" 1
205 1 38 GLN HB2 1 39 ASN HD22 5.500 . 6.000 5.208 3.710 5.893 . 0 0 "[ . 1 . 2]" 1
206 1 38 GLN QG 1 39 ASN H 5.500 . 6.000 4.351 4.204 4.422 . 0 0 "[ . 1 . 2]" 1
207 1 38 GLN QG 2 34 MET ME 3.500 . 4.000 3.359 2.903 3.572 . 0 0 "[ . 1 . 2]" 1
208 1 39 ASN H 1 40 LEU H 2.800 . 3.000 2.699 2.570 2.821 . 0 0 "[ . 1 . 2]" 1
209 1 39 ASN H 1 40 LEU HG 5.500 . 6.000 5.916 5.510 6.059 0.059 4 0 "[ . 1 . 2]" 1
210 1 39 ASN HA 1 40 LEU H 3.500 . 4.000 3.116 3.008 3.257 . 0 0 "[ . 1 . 2]" 1
211 1 39 ASN HB2 1 40 LEU H 3.500 . 4.000 3.875 3.602 4.000 0.000 2 0 "[ . 1 . 2]" 1
212 1 39 ASN HB2 1 41 GLU H 3.500 . 4.000 3.319 2.899 3.953 . 0 0 "[ . 1 . 2]" 1
213 1 39 ASN HD21 1 41 GLU HG2 5.500 . 6.000 5.248 4.217 5.822 . 0 0 "[ . 1 . 2]" 1
214 1 40 LEU H 1 41 GLU H 2.800 . 3.000 2.768 2.680 2.851 . 0 0 "[ . 1 . 2]" 1
215 1 40 LEU HA 1 41 GLU H 2.800 . 3.000 3.033 2.822 3.126 0.126 4 0 "[ . 1 . 2]" 1
216 1 40 LEU QB 1 42 PHE H 5.500 . 6.000 4.942 4.527 5.304 . 0 0 "[ . 1 . 2]" 1
217 1 40 LEU HG 1 41 GLU H 5.500 . 6.000 4.940 4.780 5.051 . 0 0 "[ . 1 . 2]" 1
218 1 40 LEU HG 2 33 MET ME 2.800 . 3.000 2.561 2.355 2.682 . 0 0 "[ . 1 . 2]" 1
219 1 40 LEU HG 2 34 MET ME 3.500 . 4.000 3.341 2.951 3.566 . 0 0 "[ . 1 . 2]" 1
220 1 40 LEU HG 2 37 ALA MB 5.500 . 6.000 5.072 4.400 5.367 . 0 0 "[ . 1 . 2]" 1
221 1 41 GLU HA 1 42 PHE H 3.500 . 4.000 3.372 3.105 3.567 . 0 0 "[ . 1 . 2]" 1
222 1 41 GLU HA 1 45 ALA H 5.500 . 6.000 5.707 5.116 6.121 0.121 13 0 "[ . 1 . 2]" 1
223 1 41 GLU QB 1 45 ALA H 5.500 . 6.000 4.135 3.203 5.428 . 0 0 "[ . 1 . 2]" 1
224 1 42 PHE H 1 45 ALA MB 3.500 . 4.000 3.124 2.058 3.947 . 0 0 "[ . 1 . 2]" 1
225 1 42 PHE H 1 46 ALA MB 5.500 . 6.000 4.994 4.528 5.248 . 0 0 "[ . 1 . 2]" 1
226 1 42 PHE HA 1 43 GLU H 3.500 . 4.000 3.035 2.566 3.609 . 0 0 "[ . 1 . 2]" 1
227 1 42 PHE HA 1 45 ALA H 2.800 . 3.000 3.068 2.557 3.306 0.306 4 0 "[ . 1 . 2]" 1
228 1 42 PHE HA 1 45 ALA MB 2.800 . 3.000 2.142 1.672 2.658 0.128 13 0 "[ . 1 . 2]" 1
229 1 42 PHE QD 2 33 MET ME 3.500 . 4.000 3.553 3.043 3.722 . 0 0 "[ . 1 . 2]" 1
230 1 42 PHE QD 2 37 ALA MB 5.500 . 6.000 3.634 2.392 4.558 . 0 0 "[ . 1 . 2]" 1
231 1 42 PHE QE 2 33 MET ME 3.500 . 4.000 2.222 1.754 2.949 0.046 2 0 "[ . 1 . 2]" 1
232 1 42 PHE QE 2 37 ALA MB 3.500 . 4.000 2.949 1.914 3.609 . 0 0 "[ . 1 . 2]" 1
233 1 42 PHE HZ 2 46 ALA MB 3.500 . 4.000 3.580 3.121 3.639 . 0 0 "[ . 1 . 2]" 1
234 1 43 GLU H 1 44 GLU H 2.800 . 3.000 3.339 2.887 3.656 0.656 20 9 "[ .** *1 * **- *+]" 1
235 1 43 GLU H 1 44 GLU HG3 5.500 . 6.000 5.328 4.244 5.910 . 0 0 "[ . 1 . 2]" 1
236 1 43 GLU H 1 46 ALA MB 5.500 . 6.000 3.809 2.746 4.817 . 0 0 "[ . 1 . 2]" 1
237 1 43 GLU HA 1 44 GLU H 3.500 . 4.000 3.554 3.533 3.597 . 0 0 "[ . 1 . 2]" 1
238 1 43 GLU HA 1 46 ALA MB 5.500 . 6.000 3.749 3.606 4.166 . 0 0 "[ . 1 . 2]" 1
239 1 43 GLU HA 2 46 ALA MB 5.500 . 6.000 4.420 3.681 5.336 . 0 0 "[ . 1 . 2]" 1
240 1 43 GLU HG2 1 44 GLU H 2.800 . 3.000 2.962 1.887 3.052 0.052 16 0 "[ . 1 . 2]" 1
241 1 43 GLU HG2 1 46 ALA H 5.500 . 6.000 6.033 5.210 6.163 0.163 8 0 "[ . 1 . 2]" 1
242 1 44 GLU H 1 45 ALA H 2.800 . 3.000 2.371 2.337 2.438 . 0 0 "[ . 1 . 2]" 1
243 1 44 GLU HG3 1 45 ALA H 2.800 . 3.000 2.241 2.016 2.741 . 0 0 "[ . 1 . 2]" 1
244 1 45 ALA H 1 46 ALA H 2.800 . 3.000 2.627 2.552 2.762 . 0 0 "[ . 1 . 2]" 1
245 1 45 ALA H 1 46 ALA MB 5.500 . 6.000 4.184 4.120 4.270 . 0 0 "[ . 1 . 2]" 1
246 1 45 ALA HA 1 46 ALA H 3.500 . 4.000 3.586 3.579 3.597 . 0 0 "[ . 1 . 2]" 1
247 1 45 ALA HA 1 47 GLN H 5.500 . 6.000 4.162 3.826 4.674 . 0 0 "[ . 1 . 2]" 1
248 1 45 ALA HA 1 48 ILE H 3.500 . 4.000 3.865 3.585 4.132 0.132 8 0 "[ . 1 . 2]" 1
249 1 45 ALA HA 1 49 ARG H 5.500 . 6.000 5.826 4.696 6.144 0.144 14 0 "[ . 1 . 2]" 1
250 1 45 ALA MB 1 46 ALA H 2.800 . 3.000 2.378 2.238 2.518 . 0 0 "[ . 1 . 2]" 1
251 1 45 ALA MB 1 47 GLN H 5.500 . 6.000 4.251 4.159 4.513 . 0 0 "[ . 1 . 2]" 1
252 1 46 ALA H 1 47 GLN H 2.800 . 3.000 2.701 2.509 2.958 . 0 0 "[ . 1 . 2]" 1
253 1 46 ALA H 1 47 GLN HA 5.500 . 6.000 5.311 5.131 5.542 . 0 0 "[ . 1 . 2]" 1
254 1 46 ALA H 1 47 GLN QB 5.500 . 6.000 4.521 4.217 5.078 . 0 0 "[ . 1 . 2]" 1
255 1 46 ALA H 1 49 ARG H 5.500 . 6.000 5.504 5.111 5.644 . 0 0 "[ . 1 . 2]" 1
256 1 46 ALA HA 1 47 GLN H 3.500 . 4.000 3.513 3.475 3.589 . 0 0 "[ . 1 . 2]" 1
257 1 46 ALA HA 1 49 ARG H 3.500 . 4.000 3.564 3.303 3.714 . 0 0 "[ . 1 . 2]" 1
258 1 46 ALA HA 1 50 ASP H 5.500 . 6.000 5.939 5.454 6.058 0.058 13 0 "[ . 1 . 2]" 1
259 1 46 ALA HA 2 46 ALA MB 5.500 . 6.000 4.987 3.962 5.387 . 0 0 "[ . 1 . 2]" 1
260 1 46 ALA MB 1 47 GLN H 3.500 . 4.000 2.803 2.540 2.942 . 0 0 "[ . 1 . 2]" 1
261 1 46 ALA MB 1 47 GLN HG2 5.500 . 6.000 4.204 3.257 5.400 . 0 0 "[ . 1 . 2]" 1
262 1 46 ALA MB 1 48 ILE H 5.500 . 6.000 4.482 4.231 4.941 . 0 0 "[ . 1 . 2]" 1
263 1 46 ALA MB 1 49 ARG H 5.500 . 6.000 4.448 4.095 4.742 . 0 0 "[ . 1 . 2]" 1
264 1 46 ALA MB 2 37 ALA HA 5.500 . 6.000 5.415 5.371 5.469 . 0 0 "[ . 1 . 2]" 1
265 1 46 ALA MB 2 42 PHE HZ 3.500 . 4.000 3.580 3.118 3.639 . 0 0 "[ . 1 . 2]" 1
266 1 46 ALA MB 2 43 GLU HA 5.500 . 6.000 4.419 3.662 5.355 . 0 0 "[ . 1 . 2]" 1
267 1 46 ALA MB 2 46 ALA HA 5.500 . 6.000 4.986 3.962 5.385 . 0 0 "[ . 1 . 2]" 1
268 1 47 GLN H 1 48 ILE H 2.800 . 3.000 2.669 2.479 2.791 . 0 0 "[ . 1 . 2]" 1
269 1 47 GLN H 1 49 ARG HE 5.500 . 6.000 5.857 5.199 6.012 0.012 4 0 "[ . 1 . 2]" 1
270 1 47 GLN HA 1 48 ILE H 3.500 . 4.000 3.526 3.476 3.593 . 0 0 "[ . 1 . 2]" 1
271 1 47 GLN QB 1 48 ILE H 3.500 . 4.000 2.823 2.449 3.555 . 0 0 "[ . 1 . 2]" 1
272 1 47 GLN QB 1 49 ARG H 5.500 . 6.000 4.578 4.331 4.845 . 0 0 "[ . 1 . 2]" 1
273 1 47 GLN QB 1 49 ARG HE 5.500 . 6.000 5.316 4.429 5.401 . 0 0 "[ . 1 . 2]" 1
274 1 47 GLN QB 1 51 GLN H 5.500 . 6.000 5.333 5.156 5.383 . 0 0 "[ . 1 . 2]" 1
275 1 48 ILE H 1 49 ARG H 2.800 . 3.000 2.706 2.586 2.792 . 0 0 "[ . 1 . 2]" 1
276 1 48 ILE HA 1 49 ARG H 3.500 . 4.000 3.519 3.501 3.538 . 0 0 "[ . 1 . 2]" 1
277 1 48 ILE HA 1 51 GLN H 2.800 . 3.000 3.040 3.010 3.116 0.116 18 0 "[ . 1 . 2]" 1
278 1 48 ILE MD 1 49 ARG H 5.500 . 6.000 4.544 4.367 4.740 . 0 0 "[ . 1 . 2]" 1
279 1 49 ARG H 1 50 ASP H 2.800 . 3.000 2.763 2.694 2.858 . 0 0 "[ . 1 . 2]" 1
280 1 49 ARG HE 1 51 GLN HG3 5.500 . 6.000 5.977 5.766 6.042 0.042 18 0 "[ . 1 . 2]" 1
281 1 50 ASP H 1 51 GLN H 2.800 . 3.000 2.506 2.409 2.610 . 0 0 "[ . 1 . 2]" 1
282 1 50 ASP HA 1 51 GLN H 3.500 . 4.000 3.553 3.525 3.578 . 0 0 "[ . 1 . 2]" 1
283 1 50 ASP HA 1 53 HIS H 3.500 . 4.000 3.786 3.503 3.915 . 0 0 "[ . 1 . 2]" 1
284 1 50 ASP HA 1 54 GLN H 5.500 . 6.000 4.292 3.806 5.026 . 0 0 "[ . 1 . 2]" 1
285 1 50 ASP HB3 1 51 GLN H 2.800 . 3.000 2.675 2.497 3.006 0.006 20 0 "[ . 1 . 2]" 1
286 1 51 GLN H 1 52 LEU H 2.800 . 3.000 2.522 2.400 2.655 . 0 0 "[ . 1 . 2]" 1
287 1 51 GLN H 1 55 LEU MD1 5.500 . 6.000 4.829 4.600 5.258 . 0 0 "[ . 1 . 2]" 1
288 1 51 GLN QB 1 52 LEU H 2.800 . 3.000 2.523 2.327 2.676 . 0 0 "[ . 1 . 2]" 1
289 1 51 GLN HE21 1 55 LEU MD1 3.500 . 4.000 3.480 3.063 3.575 . 0 0 "[ . 1 . 2]" 1
290 1 52 LEU H 1 53 HIS H 2.800 . 3.000 2.717 2.617 2.921 . 0 0 "[ . 1 . 2]" 1
291 1 52 LEU H 1 55 LEU MD1 5.500 . 6.000 3.867 3.485 4.488 . 0 0 "[ . 1 . 2]" 1
292 1 52 LEU HA 1 53 HIS H 3.500 . 4.000 3.563 3.509 3.588 . 0 0 "[ . 1 . 2]" 1
293 1 52 LEU HA 1 55 LEU H 3.500 . 4.000 3.724 3.162 4.006 0.006 10 0 "[ . 1 . 2]" 1
294 1 52 LEU QB 1 53 HIS H 3.500 . 4.000 2.613 2.430 2.901 . 0 0 "[ . 1 . 2]" 1
295 1 52 LEU MD1 1 53 HIS H 5.500 . 6.000 4.125 3.514 4.433 . 0 0 "[ . 1 . 2]" 1
296 1 52 LEU MD2 1 53 HIS H 5.500 . 6.000 4.402 4.132 4.615 . 0 0 "[ . 1 . 2]" 1
297 1 53 HIS H 1 54 GLN H 2.800 . 3.000 2.628 2.438 2.897 . 0 0 "[ . 1 . 2]" 1
298 1 53 HIS H 1 54 GLN HA 5.500 . 6.000 5.302 5.141 5.509 . 0 0 "[ . 1 . 2]" 1
299 1 53 HIS H 1 54 GLN QB 5.500 . 6.000 4.285 4.120 4.778 . 0 0 "[ . 1 . 2]" 1
300 1 53 HIS HA 1 54 GLN H 3.500 . 4.000 3.566 3.512 3.591 . 0 0 "[ . 1 . 2]" 1
301 1 53 HIS HA 1 56 ARG H 3.500 . 4.000 3.656 3.331 3.984 . 0 0 "[ . 1 . 2]" 1
302 1 53 HIS HA 1 57 GLU H 5.500 . 6.000 5.122 4.347 6.003 0.003 6 0 "[ . 1 . 2]" 1
303 1 53 HIS QB 1 54 GLN H 3.500 . 4.000 2.529 2.215 2.796 . 0 0 "[ . 1 . 2]" 1
304 1 54 GLN H 1 55 LEU H 2.800 . 3.000 2.646 2.420 2.794 . 0 0 "[ . 1 . 2]" 1
305 1 54 GLN H 1 55 LEU MD1 5.500 . 6.000 4.488 3.891 4.987 . 0 0 "[ . 1 . 2]" 1
306 1 54 GLN HA 1 55 LEU H 3.500 . 4.000 3.565 3.528 3.590 . 0 0 "[ . 1 . 2]" 1
307 1 54 GLN HA 1 57 GLU H 3.500 . 4.000 3.842 3.656 4.027 0.027 3 0 "[ . 1 . 2]" 1
308 1 54 GLN QB 1 55 LEU H 2.800 . 3.000 2.528 2.226 2.688 . 0 0 "[ . 1 . 2]" 1
309 1 54 GLN QB 1 56 ARG H 5.500 . 6.000 4.492 4.280 4.807 . 0 0 "[ . 1 . 2]" 1
310 1 55 LEU H 1 56 ARG H 2.800 . 3.000 2.666 2.542 2.763 . 0 0 "[ . 1 . 2]" 1
311 1 55 LEU HA 1 56 ARG H 3.500 . 4.000 3.511 3.475 3.556 . 0 0 "[ . 1 . 2]" 1
312 1 55 LEU HA 1 56 ARG QB 5.500 . 6.000 5.124 5.026 5.405 . 0 0 "[ . 1 . 2]" 1
313 1 55 LEU HA 1 58 LEU H 3.500 . 4.000 3.406 3.222 3.665 . 0 0 "[ . 1 . 2]" 1
314 1 55 LEU HA 1 58 LEU MD1 3.500 . 4.000 2.358 1.950 2.829 . 0 0 "[ . 1 . 2]" 1
315 1 55 LEU QB 1 57 GLU H 5.500 . 6.000 5.030 4.411 5.359 . 0 0 "[ . 1 . 2]" 1
316 1 55 LEU QB 1 58 LEU H 5.500 . 6.000 4.803 4.625 5.162 . 0 0 "[ . 1 . 2]" 1
317 1 55 LEU MD1 1 56 ARG H 5.500 . 6.000 4.525 4.204 4.716 . 0 0 "[ . 1 . 2]" 1
318 1 55 LEU HG 1 58 LEU H 5.500 . 6.000 5.501 4.942 6.002 0.002 20 0 "[ . 1 . 2]" 1
319 1 55 LEU HG 1 58 LEU MD1 3.500 . 4.000 3.070 2.394 3.379 . 0 0 "[ . 1 . 2]" 1
320 1 56 ARG H 1 57 GLU H 2.800 . 3.000 2.885 2.694 3.045 0.045 20 0 "[ . 1 . 2]" 1
321 1 56 ARG H 1 57 GLU QB 5.500 . 6.000 4.773 4.397 5.130 . 0 0 "[ . 1 . 2]" 1
322 1 56 ARG HA 1 57 GLU H 3.500 . 4.000 3.573 3.485 3.596 . 0 0 "[ . 1 . 2]" 1
323 1 56 ARG HA 1 59 PHE H 3.500 . 4.000 3.683 3.224 3.992 . 0 0 "[ . 1 . 2]" 1
324 1 56 ARG QD 1 57 GLU H 3.500 . 4.000 3.360 2.879 3.614 . 0 0 "[ . 1 . 2]" 1
325 1 56 ARG QG 1 57 GLU H 3.500 . 4.000 3.173 1.942 3.584 . 0 0 "[ . 1 . 2]" 1
326 1 57 GLU H 1 58 LEU H 2.800 . 3.000 2.724 2.488 3.058 0.058 18 0 "[ . 1 . 2]" 1
327 1 57 GLU HA 1 60 ILE H 5.500 . 6.000 3.950 3.810 4.109 . 0 0 "[ . 1 . 2]" 1
328 1 57 GLU QB 1 58 LEU H 3.500 . 4.000 2.811 2.116 3.574 . 0 0 "[ . 1 . 2]" 1
329 1 57 GLU QB 1 59 PHE H 5.500 . 6.000 4.558 4.343 4.892 . 0 0 "[ . 1 . 2]" 1
330 1 57 GLU HG3 1 58 LEU H 3.500 . 4.000 3.499 2.089 4.143 0.143 18 0 "[ . 1 . 2]" 1
331 1 58 LEU H 1 59 PHE H 2.800 . 3.000 2.679 2.505 2.931 . 0 0 "[ . 1 . 2]" 1
332 1 58 LEU H 1 59 PHE HB2 5.500 . 6.000 4.809 4.549 5.082 . 0 0 "[ . 1 . 2]" 1
333 1 58 LEU HA 1 59 PHE H 3.500 . 4.000 3.489 3.476 3.541 . 0 0 "[ . 1 . 2]" 1
334 1 58 LEU HA 1 61 ALA MB 3.500 . 4.000 2.368 2.082 2.642 . 0 0 "[ . 1 . 2]" 1
335 1 58 LEU MD2 1 62 ALA H 5.500 . 6.000 4.312 3.315 5.206 . 0 0 "[ . 1 . 2]" 1
336 1 59 PHE H 1 60 ILE H 2.800 . 3.000 2.881 2.783 2.983 . 0 0 "[ . 1 . 2]" 1
337 1 59 PHE H 1 60 ILE HB 5.500 . 6.000 4.982 4.866 5.106 . 0 0 "[ . 1 . 2]" 1
338 1 59 PHE HA 1 60 ILE H 3.500 . 4.000 3.571 3.525 3.591 . 0 0 "[ . 1 . 2]" 1
339 1 59 PHE HA 1 61 ALA H 5.500 . 6.000 4.608 4.331 5.015 . 0 0 "[ . 1 . 2]" 1
340 1 59 PHE HA 1 62 ALA MB 3.500 . 4.000 3.058 2.707 3.521 . 0 0 "[ . 1 . 2]" 1
341 1 59 PHE HB2 1 60 ILE H 3.500 . 4.000 3.801 3.526 3.999 . 0 0 "[ . 1 . 2]" 1
342 1 59 PHE HB3 1 60 ILE H 2.800 . 3.000 2.472 2.178 2.782 . 0 0 "[ . 1 . 2]" 1
343 1 59 PHE QD 1 60 ILE H 3.500 . 4.000 3.314 2.943 3.565 . 0 0 "[ . 1 . 2]" 1
344 1 60 ILE H 1 61 ALA H 2.800 . 3.000 2.584 2.432 2.739 . 0 0 "[ . 1 . 2]" 1
345 1 60 ILE H 1 61 ALA MB 5.500 . 6.000 4.108 3.968 4.275 . 0 0 "[ . 1 . 2]" 1
346 1 60 ILE H 1 62 ALA H 3.500 . 4.000 3.952 3.837 4.023 0.023 18 0 "[ . 1 . 2]" 1
347 1 60 ILE HA 1 61 ALA H 3.500 . 4.000 3.561 3.523 3.586 . 0 0 "[ . 1 . 2]" 1
348 1 60 ILE HA 1 62 ALA H 3.500 . 4.000 3.908 3.761 4.012 0.012 13 0 "[ . 1 . 2]" 1
349 1 60 ILE HA 1 63 SER H 3.500 . 4.000 3.968 3.686 4.021 0.021 20 0 "[ . 1 . 2]" 1
350 1 60 ILE HB 1 61 ALA H 2.800 . 3.000 2.551 2.321 2.780 . 0 0 "[ . 1 . 2]" 1
351 1 60 ILE HB 1 62 ALA H 5.500 . 6.000 4.770 4.630 4.913 . 0 0 "[ . 1 . 2]" 1
352 1 60 ILE MD 1 61 ALA H 5.500 . 6.000 4.103 3.430 4.585 . 0 0 "[ . 1 . 2]" 1
353 1 61 ALA HA 1 62 ALA H 3.500 . 4.000 3.490 3.473 3.517 . 0 0 "[ . 1 . 2]" 1
354 1 62 ALA H 1 63 SER H 2.800 . 3.000 2.603 2.370 2.906 . 0 0 "[ . 1 . 2]" 1
355 1 62 ALA HA 1 63 SER H 3.500 . 4.000 3.586 3.569 3.593 . 0 0 "[ . 1 . 2]" 1
356 1 62 ALA MB 1 63 SER H 2.800 . 3.000 2.094 1.924 2.275 . 0 0 "[ . 1 . 2]" 1
357 2 8 LEU HA 2 9 GLU H 2.800 . 3.000 2.425 2.218 3.043 0.043 7 0 "[ . 1 . 2]" 1
358 2 8 LEU MD1 2 9 GLU H 5.500 . 6.000 4.562 2.285 5.346 . 0 0 "[ . 1 . 2]" 1
359 2 9 GLU H 2 10 PRO HD3 2.800 . 3.000 2.632 2.111 3.001 0.001 18 0 "[ . 1 . 2]" 1
360 2 10 PRO HA 2 11 ASP H 3.500 . 4.000 3.585 3.570 3.592 . 0 0 "[ . 1 . 2]" 1
361 2 10 PRO HA 2 13 VAL H 3.500 . 4.000 3.729 3.485 4.065 0.065 14 0 "[ . 1 . 2]" 1
362 2 10 PRO HB2 2 11 ASP H 2.800 . 3.000 2.914 2.734 3.083 0.083 14 0 "[ . 1 . 2]" 1
363 2 10 PRO HB3 2 11 ASP H 3.500 . 4.000 3.908 3.818 4.007 0.007 14 0 "[ . 1 . 2]" 1
364 2 10 PRO HD2 2 11 ASP HA 5.500 . 6.000 4.737 4.672 5.422 . 0 0 "[ . 1 . 2]" 1
365 2 10 PRO HD3 2 11 ASP H 3.500 . 4.000 3.819 3.793 3.868 . 0 0 "[ . 1 . 2]" 1
366 2 10 PRO HG2 2 11 ASP H 2.800 . 3.000 2.008 1.927 2.164 . 0 0 "[ . 1 . 2]" 1
367 2 11 ASP H 2 12 ASN H 3.500 . 4.000 3.985 2.708 4.104 0.104 5 0 "[ . 1 . 2]" 1
368 2 11 ASP HA 2 12 ASN H 3.500 . 4.000 3.546 3.479 3.574 . 0 0 "[ . 1 . 2]" 1
369 2 11 ASP HB2 2 12 ASN H 2.800 . 3.000 2.640 2.262 3.001 0.001 1 0 "[ . 1 . 2]" 1
370 2 12 ASN H 2 13 VAL HA 5.500 . 6.000 4.285 4.034 4.714 . 0 0 "[ . 1 . 2]" 1
371 2 12 ASN H 2 13 VAL HB 3.500 . 4.000 3.799 3.478 4.427 0.427 14 0 "[ . 1 . 2]" 1
372 2 12 ASN H 2 13 VAL MG1 5.500 . 6.000 4.990 3.763 5.351 . 0 0 "[ . 1 . 2]" 1
373 2 12 ASN HD21 2 13 VAL HB 5.500 . 6.000 5.812 5.119 6.035 0.035 6 0 "[ . 1 . 2]" 1
374 2 13 VAL H 2 14 PRO HD2 2.800 . 3.000 2.051 1.915 2.510 . 0 0 "[ . 1 . 2]" 1
375 2 13 VAL H 2 14 PRO HD3 2.800 . 3.000 2.552 2.091 3.001 0.001 4 0 "[ . 1 . 2]" 1
376 2 13 VAL HA 2 14 PRO HD2 5.500 . 6.000 3.982 3.882 4.211 . 0 0 "[ . 1 . 2]" 1
377 2 13 VAL HA 2 14 PRO HD3 3.500 . 4.000 3.918 3.754 4.014 0.014 20 0 "[ . 1 . 2]" 1
378 2 13 VAL MG1 2 14 PRO HG3 3.500 . 4.000 3.502 2.704 3.591 . 0 0 "[ . 1 . 2]" 1
379 2 13 VAL MG2 2 14 PRO HD3 5.500 . 6.000 3.646 3.568 3.986 . 0 0 "[ . 1 . 2]" 1
380 2 14 PRO HB2 2 15 MET H 2.800 . 3.000 2.653 1.974 3.035 0.035 16 0 "[ . 1 . 2]" 1
381 2 14 PRO HD2 2 15 MET HA 5.500 . 6.000 4.728 4.510 5.012 . 0 0 "[ . 1 . 2]" 1
382 2 14 PRO HD3 2 15 MET HA 5.500 . 6.000 6.132 6.031 6.272 0.272 17 0 "[ . 1 . 2]" 1
383 2 14 PRO HG2 2 15 MET H 2.800 . 3.000 2.011 1.903 2.250 . 0 0 "[ . 1 . 2]" 1
384 2 14 PRO HG3 2 15 MET H 3.500 . 4.000 3.521 3.421 3.634 . 0 0 "[ . 1 . 2]" 1
385 2 15 MET HA 2 16 ASP H 2.800 . 3.000 2.542 2.211 3.030 0.030 14 0 "[ . 1 . 2]" 1
386 2 15 MET HG3 2 16 ASP H 3.500 . 4.000 3.385 1.945 3.997 . 0 0 "[ . 1 . 2]" 1
387 2 16 ASP H 2 17 MET H 2.800 . 3.000 2.888 2.250 3.112 0.112 14 0 "[ . 1 . 2]" 1
388 2 16 ASP HA 2 17 MET H 2.800 . 3.000 2.706 2.408 3.480 0.480 11 0 "[ . 1 . 2]" 1
389 2 16 ASP HA 2 17 MET HG2 3.500 . 4.000 3.885 3.595 4.145 0.145 14 0 "[ . 1 . 2]" 1
390 2 17 MET H 2 18 SER H 2.800 . 3.000 2.536 1.903 2.875 . 0 0 "[ . 1 . 2]" 1
391 2 17 MET HA 2 18 SER H 3.500 . 4.000 3.534 3.478 3.570 . 0 0 "[ . 1 . 2]" 1
392 2 17 MET HG2 2 18 SER H 2.800 . 3.000 2.337 1.941 3.002 0.002 14 0 "[ . 1 . 2]" 1
393 2 17 MET HG3 2 18 SER H 2.800 . 3.000 2.354 1.945 2.839 . 0 0 "[ . 1 . 2]" 1
394 2 18 SER HB3 2 22 LEU MD2 5.500 . 6.000 5.026 3.889 5.372 . 0 0 "[ . 1 . 2]" 1
395 2 19 PRO HA 2 20 LYS H 2.800 . 3.000 3.115 2.634 3.497 0.497 10 0 "[ . 1 . 2]" 1
396 2 19 PRO HA 2 22 LEU QB 5.500 . 6.000 5.121 3.626 5.414 . 0 0 "[ . 1 . 2]" 1
397 2 19 PRO HG2 2 22 LEU MD2 5.500 . 6.000 2.992 2.544 4.370 . 0 0 "[ . 1 . 2]" 1
398 2 19 PRO HG3 2 22 LEU MD2 3.500 . 4.000 2.998 1.916 3.663 . 0 0 "[ . 1 . 2]" 1
399 2 19 PRO HG3 2 63 SER H 2.800 . 3.000 2.970 2.665 3.025 0.025 20 0 "[ . 1 . 2]" 1
400 2 20 LYS H 2 21 ALA MB 5.500 . 6.000 5.022 4.910 5.171 . 0 0 "[ . 1 . 2]" 1
401 2 20 LYS H 2 23 GLN QB 2.800 . 3.000 2.591 2.304 2.760 . 0 0 "[ . 1 . 2]" 1
402 2 20 LYS HA 2 21 ALA H 3.500 . 4.000 3.593 3.584 3.599 . 0 0 "[ . 1 . 2]" 1
403 2 20 LYS HA 2 23 GLN QB 2.800 . 3.000 2.341 2.036 2.685 . 0 0 "[ . 1 . 2]" 1
404 2 20 LYS HA 2 24 GLN H 3.500 . 4.000 3.546 3.147 3.894 . 0 0 "[ . 1 . 2]" 1
405 2 20 LYS HA 2 24 GLN HB2 5.500 . 6.000 4.062 3.430 4.735 . 0 0 "[ . 1 . 2]" 1
406 2 20 LYS HB2 2 21 ALA H 3.500 . 4.000 3.258 1.850 3.494 . 0 0 "[ . 1 . 2]" 1
407 2 20 LYS QD 2 21 ALA H 2.800 . 3.000 2.637 2.291 2.768 . 0 0 "[ . 1 . 2]" 1
408 2 20 LYS QD 2 22 LEU H 5.500 . 6.000 4.806 4.497 4.994 . 0 0 "[ . 1 . 2]" 1
409 2 20 LYS QD 2 23 GLN H 5.500 . 6.000 5.223 4.896 5.435 . 0 0 "[ . 1 . 2]" 1
410 2 21 ALA H 2 22 LEU H 2.800 . 3.000 2.987 2.642 3.095 0.095 14 0 "[ . 1 . 2]" 1
411 2 21 ALA H 2 23 GLN QB 5.500 . 6.000 4.649 4.367 4.934 . 0 0 "[ . 1 . 2]" 1
412 2 21 ALA HA 2 25 LYS H 5.500 . 6.000 4.313 3.872 4.579 . 0 0 "[ . 1 . 2]" 1
413 2 21 ALA HA 2 25 LYS QD 3.500 . 4.000 3.442 3.184 3.566 . 0 0 "[ . 1 . 2]" 1
414 2 22 LEU H 2 23 GLN H 2.800 . 3.000 2.584 2.337 2.990 . 0 0 "[ . 1 . 2]" 1
415 2 22 LEU H 2 23 GLN QB 5.500 . 6.000 4.137 3.940 4.470 . 0 0 "[ . 1 . 2]" 1
416 2 22 LEU HA 2 23 GLN H 3.500 . 4.000 3.556 3.513 3.590 . 0 0 "[ . 1 . 2]" 1
417 2 22 LEU HA 2 25 LYS H 3.500 . 4.000 3.431 3.253 3.662 . 0 0 "[ . 1 . 2]" 1
418 2 22 LEU HA 2 25 LYS QB 2.800 . 3.000 2.363 2.036 2.562 . 0 0 "[ . 1 . 2]" 1
419 2 22 LEU HA 2 26 ILE H 3.500 . 4.000 3.731 3.384 4.038 0.038 14 0 "[ . 1 . 2]" 1
420 2 22 LEU QB 2 23 GLN H 2.800 . 3.000 2.374 1.881 2.681 . 0 0 "[ . 1 . 2]" 1
421 2 22 LEU QB 2 25 LYS H 5.500 . 6.000 4.878 4.653 5.133 . 0 0 "[ . 1 . 2]" 1
422 2 22 LEU QB 2 26 ILE H 5.500 . 6.000 4.653 4.131 5.268 . 0 0 "[ . 1 . 2]" 1
423 2 22 LEU MD1 2 23 GLN H 3.500 . 4.000 3.657 3.602 3.722 . 0 0 "[ . 1 . 2]" 1
424 2 23 GLN H 2 24 GLN H 2.800 . 3.000 2.942 2.842 3.045 0.045 16 0 "[ . 1 . 2]" 1
425 2 23 GLN HA 2 24 GLN H 3.500 . 4.000 3.577 3.535 3.592 . 0 0 "[ . 1 . 2]" 1
426 2 23 GLN HA 2 26 ILE H 3.500 . 4.000 3.871 3.596 4.015 0.015 6 0 "[ . 1 . 2]" 1
427 2 23 GLN HA 2 26 ILE MD 3.500 . 4.000 2.684 2.046 3.078 . 0 0 "[ . 1 . 2]" 1
428 2 23 GLN HA 2 27 HIS H 3.500 . 4.000 3.974 3.746 4.045 0.045 1 0 "[ . 1 . 2]" 1
429 2 23 GLN QB 2 24 GLN HA 5.500 . 6.000 4.122 3.875 4.317 . 0 0 "[ . 1 . 2]" 1
430 2 23 GLN HG2 2 24 GLN H 3.500 . 4.000 3.836 3.487 4.035 0.035 10 0 "[ . 1 . 2]" 1
431 2 23 GLN HG3 2 27 HIS H 5.500 . 6.000 5.446 4.113 5.963 . 0 0 "[ . 1 . 2]" 1
432 2 24 GLN H 2 25 LYS H 2.800 . 3.000 2.632 2.433 2.799 . 0 0 "[ . 1 . 2]" 1
433 2 24 GLN HA 2 27 HIS H 3.500 . 4.000 3.822 3.458 4.009 0.009 16 0 "[ . 1 . 2]" 1
434 2 24 GLN HB3 2 25 LYS H 2.800 . 3.000 2.585 2.257 2.768 . 0 0 "[ . 1 . 2]" 1
435 2 24 GLN HB3 2 27 HIS H 5.500 . 6.000 5.828 5.518 6.019 0.019 1 0 "[ . 1 . 2]" 1
436 2 24 GLN HE21 2 28 GLU HG2 2.800 . 3.000 2.740 2.396 3.007 0.007 5 0 "[ . 1 . 2]" 1
437 2 25 LYS H 2 26 ILE H 2.800 . 3.000 2.742 2.595 2.939 . 0 0 "[ . 1 . 2]" 1
438 2 25 LYS H 2 55 LEU MD2 5.500 . 6.000 4.961 4.298 5.341 . 0 0 "[ . 1 . 2]" 1
439 2 25 LYS HA 2 28 GLU H 3.500 . 4.000 3.605 3.376 3.905 . 0 0 "[ . 1 . 2]" 1
440 2 25 LYS QB 2 55 LEU QB 5.500 . 6.000 4.406 3.776 4.981 . 0 0 "[ . 1 . 2]" 1
441 2 25 LYS QB 2 55 LEU MD2 3.500 . 4.000 2.570 2.036 3.267 . 0 0 "[ . 1 . 2]" 1
442 2 25 LYS QD 2 55 LEU MD2 5.500 . 6.000 3.949 3.019 5.171 . 0 0 "[ . 1 . 2]" 1
443 2 25 LYS QG 2 55 LEU MD2 5.500 . 6.000 3.659 2.864 4.701 . 0 0 "[ . 1 . 2]" 1
444 2 26 ILE H 2 27 HIS H 2.800 . 3.000 2.819 2.527 3.001 0.001 2 0 "[ . 1 . 2]" 1
445 2 26 ILE H 2 29 LEU HB2 5.500 . 6.000 5.290 4.709 5.945 . 0 0 "[ . 1 . 2]" 1
446 2 26 ILE HA 2 27 HIS H 3.500 . 4.000 3.587 3.575 3.593 . 0 0 "[ . 1 . 2]" 1
447 2 26 ILE HB 2 27 HIS H 2.800 . 3.000 2.290 2.164 2.477 . 0 0 "[ . 1 . 2]" 1
448 2 26 ILE MD 2 27 HIS H 5.500 . 6.000 4.145 3.973 4.356 . 0 0 "[ . 1 . 2]" 1
449 2 26 ILE MD 2 56 ARG H 5.500 . 6.000 4.612 3.897 5.203 . 0 0 "[ . 1 . 2]" 1
450 2 26 ILE MD 2 59 PHE H 5.500 . 6.000 4.484 3.277 5.345 . 0 0 "[ . 1 . 2]" 1
451 2 26 ILE QG 2 55 LEU MD2 5.500 . 6.000 2.469 1.860 3.211 . 0 0 "[ . 1 . 2]" 1
452 2 26 ILE MG 2 27 HIS H 5.500 . 6.000 3.167 2.941 3.369 . 0 0 "[ . 1 . 2]" 1
453 2 27 HIS H 2 28 GLU H 2.800 . 3.000 2.669 2.491 2.760 . 0 0 "[ . 1 . 2]" 1
454 2 27 HIS HA 2 28 GLU H 3.500 . 4.000 3.499 3.476 3.542 . 0 0 "[ . 1 . 2]" 1
455 2 27 HIS HA 2 30 GLU H 3.500 . 4.000 3.761 3.595 3.906 . 0 0 "[ . 1 . 2]" 1
456 2 27 HIS HA 2 31 GLY H 5.500 . 6.000 4.094 3.368 4.645 . 0 0 "[ . 1 . 2]" 1
457 2 27 HIS QB 2 28 GLU H 3.500 . 4.000 2.864 2.656 2.966 . 0 0 "[ . 1 . 2]" 1
458 2 28 GLU H 2 29 LEU H 2.800 . 3.000 2.577 2.456 2.946 . 0 0 "[ . 1 . 2]" 1
459 2 28 GLU H 2 30 GLU H 3.500 . 4.000 3.923 3.707 4.021 0.021 1 0 "[ . 1 . 2]" 1
460 2 28 GLU H 2 52 LEU MD2 5.500 . 6.000 5.002 4.446 5.347 . 0 0 "[ . 1 . 2]" 1
461 2 28 GLU HA 2 29 LEU H 3.500 . 4.000 3.577 3.546 3.592 . 0 0 "[ . 1 . 2]" 1
462 2 28 GLU HA 2 30 GLU H 5.500 . 6.000 4.561 4.173 4.781 . 0 0 "[ . 1 . 2]" 1
463 2 28 GLU HA 2 31 GLY H 3.500 . 4.000 3.862 3.413 4.010 0.010 10 0 "[ . 1 . 2]" 1
464 2 28 GLU HB2 2 30 GLU H 5.500 . 6.000 5.125 4.639 5.837 . 0 0 "[ . 1 . 2]" 1
465 2 28 GLU HB3 2 29 LEU H 3.500 . 4.000 2.912 2.352 3.574 . 0 0 "[ . 1 . 2]" 1
466 2 28 GLU HB3 2 31 GLY H 5.500 . 6.000 5.689 5.299 5.936 . 0 0 "[ . 1 . 2]" 1
467 2 28 GLU HB3 2 32 LEU H 5.500 . 6.000 5.662 5.135 6.000 . 0 0 "[ . 1 . 2]" 1
468 2 29 LEU H 2 30 GLU H 2.800 . 3.000 2.615 2.497 2.824 . 0 0 "[ . 1 . 2]" 1
469 2 29 LEU H 2 31 GLY H 5.500 . 6.000 4.316 4.022 4.804 . 0 0 "[ . 1 . 2]" 1
470 2 29 LEU H 2 32 LEU H 5.500 . 6.000 4.794 4.587 4.990 . 0 0 "[ . 1 . 2]" 1
471 2 29 LEU H 2 32 LEU HB3 5.500 . 6.000 5.636 5.261 6.017 0.017 11 0 "[ . 1 . 2]" 1
472 2 29 LEU H 2 52 LEU HG 5.500 . 6.000 5.931 5.361 6.024 0.024 10 0 "[ . 1 . 2]" 1
473 2 29 LEU HA 2 30 GLU H 3.500 . 4.000 3.558 3.517 3.579 . 0 0 "[ . 1 . 2]" 1
474 2 29 LEU HA 2 32 LEU MD1 5.500 . 6.000 4.225 3.305 4.982 . 0 0 "[ . 1 . 2]" 1
475 2 29 LEU HA 2 32 LEU MD2 3.500 . 4.000 3.063 2.542 3.432 . 0 0 "[ . 1 . 2]" 1
476 2 29 LEU HB2 2 32 LEU H 5.500 . 6.000 5.432 5.202 5.629 . 0 0 "[ . 1 . 2]" 1
477 2 29 LEU HB2 2 52 LEU MD2 3.500 . 4.000 2.028 1.842 3.057 . 0 0 "[ . 1 . 2]" 1
478 2 29 LEU MD2 2 48 ILE MG 5.500 . 6.000 2.186 1.893 2.704 . 0 0 "[ . 1 . 2]" 1
479 2 30 GLU H 2 31 GLY H 2.800 . 3.000 2.786 2.637 2.883 . 0 0 "[ . 1 . 2]" 1
480 2 30 GLU H 2 32 LEU H 3.500 . 4.000 3.969 3.772 4.025 0.025 2 0 "[ . 1 . 2]" 1
481 2 30 GLU H 2 32 LEU HB3 5.500 . 6.000 5.364 5.011 5.727 . 0 0 "[ . 1 . 2]" 1
482 2 30 GLU H 2 52 LEU MD2 3.500 . 4.000 2.475 2.157 3.546 . 0 0 "[ . 1 . 2]" 1
483 2 30 GLU H 2 52 LEU HG 3.500 . 4.000 3.965 3.778 4.011 0.011 2 0 "[ . 1 . 2]" 1
484 2 30 GLU HA 2 31 GLY H 3.500 . 4.000 3.576 3.550 3.591 . 0 0 "[ . 1 . 2]" 1
485 2 30 GLU HA 2 32 LEU H 5.500 . 6.000 4.196 3.930 4.398 . 0 0 "[ . 1 . 2]" 1
486 2 30 GLU HA 2 33 MET ME 3.500 . 4.000 3.339 2.845 3.583 . 0 0 "[ . 1 . 2]" 1
487 2 30 GLU QB 2 31 GLY H 3.500 . 4.000 2.389 2.113 2.584 . 0 0 "[ . 1 . 2]" 1
488 2 30 GLU HG2 2 31 GLY H 5.500 . 6.000 4.269 3.989 4.653 . 0 0 "[ . 1 . 2]" 1
489 2 30 GLU HG2 2 33 MET ME 3.500 . 4.000 3.342 2.987 3.577 . 0 0 "[ . 1 . 2]" 1
490 2 30 GLU HG2 2 34 MET H 5.500 . 6.000 5.246 4.248 5.873 . 0 0 "[ . 1 . 2]" 1
491 2 30 GLU HG3 2 33 MET ME 5.500 . 6.000 4.010 3.263 4.817 . 0 0 "[ . 1 . 2]" 1
492 2 31 GLY H 2 32 LEU H 2.800 . 3.000 2.575 2.416 2.740 . 0 0 "[ . 1 . 2]" 1
493 2 31 GLY H 2 32 LEU HB3 5.500 . 6.000 5.116 4.780 5.481 . 0 0 "[ . 1 . 2]" 1
494 2 31 GLY HA3 2 34 MET H 5.500 . 6.000 3.670 3.132 4.087 . 0 0 "[ . 1 . 2]" 1
495 2 32 LEU H 2 33 MET H 2.800 . 3.000 2.610 2.429 2.963 . 0 0 "[ . 1 . 2]" 1
496 2 32 LEU HA 2 33 MET H 3.500 . 4.000 3.535 3.487 3.596 . 0 0 "[ . 1 . 2]" 1
497 2 32 LEU HB2 2 33 MET H 3.500 . 4.000 3.666 3.246 3.976 . 0 0 "[ . 1 . 2]" 1
498 2 32 LEU HB3 2 33 MET H 2.800 . 3.000 2.748 2.156 3.007 0.007 6 0 "[ . 1 . 2]" 1
499 2 32 LEU HB3 2 45 ALA HA 5.500 . 6.000 5.250 4.481 5.850 . 0 0 "[ . 1 . 2]" 1
500 2 32 LEU HB3 2 48 ILE MD 5.500 . 6.000 2.694 1.886 4.125 . 0 0 "[ . 1 . 2]" 1
501 2 32 LEU MD1 2 33 MET H 5.500 . 6.000 4.692 4.306 4.884 . 0 0 "[ . 1 . 2]" 1
502 2 32 LEU MD1 2 35 GLN H 5.500 . 6.000 5.025 4.719 5.356 . 0 0 "[ . 1 . 2]" 1
503 2 32 LEU MD1 2 35 GLN HE21 3.500 . 4.000 3.006 2.318 3.557 . 0 0 "[ . 1 . 2]" 1
504 2 32 LEU MD2 2 48 ILE HB 5.500 . 6.000 4.888 4.263 5.291 . 0 0 "[ . 1 . 2]" 1
505 2 32 LEU MD2 2 51 GLN HE22 5.500 . 6.000 5.155 4.658 5.348 . 0 0 "[ . 1 . 2]" 1
506 2 33 MET H 2 34 MET H 3.500 . 4.000 2.799 2.422 3.002 . 0 0 "[ . 1 . 2]" 1
507 2 33 MET H 2 34 MET QB 5.500 . 6.000 4.431 4.028 4.772 . 0 0 "[ . 1 . 2]" 1
508 2 33 MET H 2 48 ILE MG 3.500 . 4.000 3.521 3.019 3.574 . 0 0 "[ . 1 . 2]" 1
509 2 33 MET ME 2 52 LEU MD1 5.500 . 6.000 4.360 1.760 4.713 0.040 9 0 "[ . 1 . 2]" 1
510 2 33 MET ME 2 52 LEU HG 3.500 . 4.000 3.557 3.301 3.603 . 0 0 "[ . 1 . 2]" 1
511 2 33 MET HG2 2 49 ARG H 3.500 . 4.000 3.835 3.068 4.163 0.163 2 0 "[ . 1 . 2]" 1
512 2 33 MET HG3 2 46 ALA H 5.500 . 6.000 5.462 4.155 6.146 0.146 10 0 "[ . 1 . 2]" 1
513 2 34 MET H 2 35 GLN H 2.800 . 3.000 2.745 2.455 2.992 . 0 0 "[ . 1 . 2]" 1
514 2 34 MET H 2 35 GLN HA 5.500 . 6.000 5.369 5.090 5.580 . 0 0 "[ . 1 . 2]" 1
515 2 34 MET H 2 36 HIS H 5.500 . 6.000 4.989 3.839 5.353 . 0 0 "[ . 1 . 2]" 1
516 2 34 MET H 2 37 ALA MB 5.500 . 6.000 4.223 3.926 4.793 . 0 0 "[ . 1 . 2]" 1
517 2 34 MET HA 2 35 GLN H 3.500 . 4.000 3.561 3.531 3.597 . 0 0 "[ . 1 . 2]" 1
518 2 34 MET HA 2 37 ALA MB 2.800 . 3.000 2.343 1.911 2.686 . 0 0 "[ . 1 . 2]" 1
519 2 34 MET HA 2 38 GLN H 3.500 . 4.000 3.827 3.597 4.079 0.079 10 0 "[ . 1 . 2]" 1
520 2 34 MET QB 2 35 GLN H 2.800 . 3.000 2.517 2.080 2.693 . 0 0 "[ . 1 . 2]" 1
521 2 34 MET QG 2 35 GLN H 5.500 . 6.000 3.992 3.575 4.360 . 0 0 "[ . 1 . 2]" 1
522 2 35 GLN H 2 36 HIS H 3.500 . 4.000 3.189 2.725 3.441 . 0 0 "[ . 1 . 2]" 1
523 2 35 GLN H 2 37 ALA MB 5.500 . 6.000 4.440 4.015 5.093 . 0 0 "[ . 1 . 2]" 1
524 2 35 GLN HA 2 36 HIS H 3.500 . 4.000 3.558 3.495 3.568 . 0 0 "[ . 1 . 2]" 1
525 2 35 GLN HA 2 37 ALA H 5.500 . 6.000 4.941 4.490 5.334 . 0 0 "[ . 1 . 2]" 1
526 2 35 GLN HA 2 38 GLN H 3.500 . 4.000 3.904 3.730 4.026 0.026 13 0 "[ . 1 . 2]" 1
527 2 35 GLN HA 2 38 GLN HB3 5.500 . 6.000 4.366 3.906 5.266 . 0 0 "[ . 1 . 2]" 1
528 2 35 GLN HG2 2 36 HIS H 2.800 . 3.000 2.838 2.397 3.007 0.007 10 0 "[ . 1 . 2]" 1
529 2 35 GLN HG3 2 36 HIS H 2.800 . 3.000 2.833 2.062 3.041 0.041 8 0 "[ . 1 . 2]" 1
530 2 36 HIS H 2 37 ALA MB 5.500 . 6.000 4.301 3.958 4.531 . 0 0 "[ . 1 . 2]" 1
531 2 36 HIS H 2 45 ALA MB 3.500 . 4.000 3.416 3.106 3.589 . 0 0 "[ . 1 . 2]" 1
532 2 36 HIS HA 2 37 ALA H 3.500 . 4.000 3.590 3.546 3.598 . 0 0 "[ . 1 . 2]" 1
533 2 36 HIS HA 2 39 ASN H 3.500 . 4.000 3.217 3.081 3.357 . 0 0 "[ . 1 . 2]" 1
534 2 36 HIS HA 2 40 LEU H 5.500 . 6.000 5.029 4.817 5.295 . 0 0 "[ . 1 . 2]" 1
535 2 37 ALA H 2 38 GLN H 2.800 . 3.000 2.855 2.775 2.914 . 0 0 "[ . 1 . 2]" 1
536 2 37 ALA H 2 40 LEU H 5.500 . 6.000 5.257 5.035 5.410 . 0 0 "[ . 1 . 2]" 1
537 2 37 ALA H 2 40 LEU HA 5.500 . 6.000 6.111 6.034 6.165 0.165 8 0 "[ . 1 . 2]" 1
538 2 37 ALA H 2 45 ALA MB 3.500 . 4.000 2.531 1.880 3.581 . 0 0 "[ . 1 . 2]" 1
539 2 37 ALA HA 2 38 GLN H 3.500 . 4.000 3.558 3.512 3.583 . 0 0 "[ . 1 . 2]" 1
540 2 37 ALA HA 2 40 LEU H 3.500 . 4.000 3.733 3.548 3.993 . 0 0 "[ . 1 . 2]" 1
541 2 37 ALA HA 2 41 GLU H 3.500 . 4.000 3.553 2.977 3.969 . 0 0 "[ . 1 . 2]" 1
542 2 37 ALA HA 2 42 PHE H 2.800 . 3.000 2.865 2.575 3.119 0.119 18 0 "[ . 1 . 2]" 1
543 2 37 ALA MB 2 38 GLN H 3.500 . 4.000 2.563 2.352 2.778 . 0 0 "[ . 1 . 2]" 1
544 2 37 ALA MB 2 40 LEU H 5.500 . 6.000 4.595 4.391 4.834 . 0 0 "[ . 1 . 2]" 1
545 2 38 GLN H 2 39 ASN H 2.800 . 3.000 2.560 2.397 2.763 . 0 0 "[ . 1 . 2]" 1
546 2 38 GLN H 2 40 LEU H 3.500 . 4.000 4.016 3.886 4.052 0.052 20 0 "[ . 1 . 2]" 1
547 2 38 GLN HA 2 39 ASN H 3.500 . 4.000 3.541 3.525 3.567 . 0 0 "[ . 1 . 2]" 1
548 2 38 GLN HA 2 40 LEU H 3.500 . 4.000 3.649 3.572 3.721 . 0 0 "[ . 1 . 2]" 1
549 2 38 GLN HB2 2 39 ASN H 2.800 . 3.000 2.873 2.684 3.003 0.003 14 0 "[ . 1 . 2]" 1
550 2 38 GLN HB2 2 39 ASN HD22 5.500 . 6.000 5.208 3.709 5.892 . 0 0 "[ . 1 . 2]" 1
551 2 38 GLN QG 2 39 ASN H 5.500 . 6.000 4.351 4.204 4.421 . 0 0 "[ . 1 . 2]" 1
552 2 39 ASN H 2 40 LEU H 2.800 . 3.000 2.699 2.569 2.821 . 0 0 "[ . 1 . 2]" 1
553 2 39 ASN H 2 40 LEU HG 5.500 . 6.000 5.916 5.507 6.060 0.060 4 0 "[ . 1 . 2]" 1
554 2 39 ASN HA 2 40 LEU H 3.500 . 4.000 3.116 3.007 3.257 . 0 0 "[ . 1 . 2]" 1
555 2 39 ASN HB2 2 40 LEU H 3.500 . 4.000 3.875 3.601 3.999 . 0 0 "[ . 1 . 2]" 1
556 2 39 ASN HB2 2 41 GLU H 3.500 . 4.000 3.319 2.900 3.949 . 0 0 "[ . 1 . 2]" 1
557 2 39 ASN HD21 2 41 GLU HG2 5.500 . 6.000 5.249 4.216 5.821 . 0 0 "[ . 1 . 2]" 1
558 2 40 LEU H 2 41 GLU H 2.800 . 3.000 2.768 2.680 2.851 . 0 0 "[ . 1 . 2]" 1
559 2 40 LEU HA 2 41 GLU H 2.800 . 3.000 3.034 2.823 3.125 0.125 4 0 "[ . 1 . 2]" 1
560 2 40 LEU QB 2 42 PHE H 5.500 . 6.000 4.942 4.528 5.304 . 0 0 "[ . 1 . 2]" 1
561 2 40 LEU HG 2 41 GLU H 5.500 . 6.000 4.940 4.781 5.051 . 0 0 "[ . 1 . 2]" 1
562 2 41 GLU HA 2 42 PHE H 3.500 . 4.000 3.371 3.104 3.566 . 0 0 "[ . 1 . 2]" 1
563 2 41 GLU HA 2 45 ALA H 5.500 . 6.000 5.707 5.115 6.121 0.121 13 0 "[ . 1 . 2]" 1
564 2 41 GLU QB 2 45 ALA H 5.500 . 6.000 4.135 3.202 5.428 . 0 0 "[ . 1 . 2]" 1
565 2 42 PHE H 2 45 ALA MB 3.500 . 4.000 3.124 2.060 3.947 . 0 0 "[ . 1 . 2]" 1
566 2 42 PHE H 2 46 ALA MB 5.500 . 6.000 4.994 4.529 5.251 . 0 0 "[ . 1 . 2]" 1
567 2 42 PHE HA 2 43 GLU H 3.500 . 4.000 3.036 2.565 3.609 . 0 0 "[ . 1 . 2]" 1
568 2 42 PHE HA 2 45 ALA H 2.800 . 3.000 3.069 2.559 3.305 0.305 4 0 "[ . 1 . 2]" 1
569 2 42 PHE HA 2 45 ALA MB 2.800 . 3.000 2.143 1.672 2.651 0.128 13 0 "[ . 1 . 2]" 1
570 2 43 GLU H 2 44 GLU H 2.800 . 3.000 3.339 2.888 3.657 0.657 20 9 "[ .** *1 * **- *+]" 1
571 2 43 GLU H 2 44 GLU HG3 5.500 . 6.000 5.328 4.243 5.911 . 0 0 "[ . 1 . 2]" 1
572 2 43 GLU H 2 46 ALA MB 5.500 . 6.000 3.809 2.738 4.815 . 0 0 "[ . 1 . 2]" 1
573 2 43 GLU HA 2 44 GLU H 3.500 . 4.000 3.554 3.531 3.597 . 0 0 "[ . 1 . 2]" 1
574 2 43 GLU HA 2 46 ALA MB 5.500 . 6.000 3.749 3.610 4.160 . 0 0 "[ . 1 . 2]" 1
575 2 43 GLU HG2 2 44 GLU H 2.800 . 3.000 2.962 1.887 3.052 0.052 17 0 "[ . 1 . 2]" 1
576 2 43 GLU HG2 2 46 ALA H 5.500 . 6.000 6.033 5.209 6.157 0.157 8 0 "[ . 1 . 2]" 1
577 2 44 GLU H 2 45 ALA H 2.800 . 3.000 2.371 2.337 2.439 . 0 0 "[ . 1 . 2]" 1
578 2 44 GLU HG3 2 45 ALA H 2.800 . 3.000 2.241 2.015 2.740 . 0 0 "[ . 1 . 2]" 1
579 2 45 ALA H 2 46 ALA H 2.800 . 3.000 2.627 2.551 2.762 . 0 0 "[ . 1 . 2]" 1
580 2 45 ALA H 2 46 ALA MB 5.500 . 6.000 4.183 4.120 4.270 . 0 0 "[ . 1 . 2]" 1
581 2 45 ALA HA 2 46 ALA H 3.500 . 4.000 3.586 3.580 3.596 . 0 0 "[ . 1 . 2]" 1
582 2 45 ALA HA 2 47 GLN H 5.500 . 6.000 4.163 3.828 4.679 . 0 0 "[ . 1 . 2]" 1
583 2 45 ALA HA 2 48 ILE H 3.500 . 4.000 3.865 3.585 4.133 0.133 8 0 "[ . 1 . 2]" 1
584 2 45 ALA HA 2 49 ARG H 5.500 . 6.000 5.826 4.695 6.143 0.143 14 0 "[ . 1 . 2]" 1
585 2 45 ALA MB 2 46 ALA H 2.800 . 3.000 2.377 2.238 2.518 . 0 0 "[ . 1 . 2]" 1
586 2 45 ALA MB 2 47 GLN H 5.500 . 6.000 4.251 4.161 4.513 . 0 0 "[ . 1 . 2]" 1
587 2 46 ALA H 2 47 GLN H 2.800 . 3.000 2.701 2.508 2.958 . 0 0 "[ . 1 . 2]" 1
588 2 46 ALA H 2 47 GLN HA 5.500 . 6.000 5.312 5.130 5.542 . 0 0 "[ . 1 . 2]" 1
589 2 46 ALA H 2 47 GLN QB 5.500 . 6.000 4.521 4.221 5.078 . 0 0 "[ . 1 . 2]" 1
590 2 46 ALA H 2 49 ARG H 5.500 . 6.000 5.504 5.111 5.644 . 0 0 "[ . 1 . 2]" 1
591 2 46 ALA HA 2 47 GLN H 3.500 . 4.000 3.513 3.475 3.588 . 0 0 "[ . 1 . 2]" 1
592 2 46 ALA HA 2 49 ARG H 3.500 . 4.000 3.565 3.303 3.711 . 0 0 "[ . 1 . 2]" 1
593 2 46 ALA HA 2 50 ASP H 5.500 . 6.000 5.939 5.454 6.058 0.058 13 0 "[ . 1 . 2]" 1
594 2 46 ALA MB 2 47 GLN H 3.500 . 4.000 2.802 2.535 2.939 . 0 0 "[ . 1 . 2]" 1
595 2 46 ALA MB 2 47 GLN HG2 5.500 . 6.000 4.203 3.258 5.400 . 0 0 "[ . 1 . 2]" 1
596 2 46 ALA MB 2 48 ILE H 5.500 . 6.000 4.482 4.229 4.943 . 0 0 "[ . 1 . 2]" 1
597 2 46 ALA MB 2 49 ARG H 5.500 . 6.000 4.448 4.095 4.740 . 0 0 "[ . 1 . 2]" 1
598 2 47 GLN H 2 48 ILE H 2.800 . 3.000 2.670 2.479 2.792 . 0 0 "[ . 1 . 2]" 1
599 2 47 GLN H 2 49 ARG HE 5.500 . 6.000 5.857 5.197 6.013 0.013 8 0 "[ . 1 . 2]" 1
600 2 47 GLN HA 2 48 ILE H 3.500 . 4.000 3.526 3.476 3.593 . 0 0 "[ . 1 . 2]" 1
601 2 47 GLN QB 2 48 ILE H 3.500 . 4.000 2.823 2.448 3.555 . 0 0 "[ . 1 . 2]" 1
602 2 47 GLN QB 2 49 ARG H 5.500 . 6.000 4.577 4.329 4.845 . 0 0 "[ . 1 . 2]" 1
603 2 47 GLN QB 2 49 ARG HE 5.500 . 6.000 5.316 4.428 5.399 . 0 0 "[ . 1 . 2]" 1
604 2 47 GLN QB 2 51 GLN H 5.500 . 6.000 5.333 5.157 5.383 . 0 0 "[ . 1 . 2]" 1
605 2 48 ILE H 2 49 ARG H 2.800 . 3.000 2.706 2.585 2.792 . 0 0 "[ . 1 . 2]" 1
606 2 48 ILE HA 2 49 ARG H 3.500 . 4.000 3.519 3.501 3.537 . 0 0 "[ . 1 . 2]" 1
607 2 48 ILE HA 2 51 GLN H 2.800 . 3.000 3.040 3.012 3.114 0.114 18 0 "[ . 1 . 2]" 1
608 2 48 ILE MD 2 49 ARG H 5.500 . 6.000 4.544 4.368 4.739 . 0 0 "[ . 1 . 2]" 1
609 2 49 ARG H 2 50 ASP H 2.800 . 3.000 2.763 2.694 2.857 . 0 0 "[ . 1 . 2]" 1
610 2 49 ARG HE 2 51 GLN HG3 5.500 . 6.000 5.977 5.764 6.042 0.042 10 0 "[ . 1 . 2]" 1
611 2 50 ASP H 2 51 GLN H 2.800 . 3.000 2.506 2.408 2.611 . 0 0 "[ . 1 . 2]" 1
612 2 50 ASP HA 2 51 GLN H 3.500 . 4.000 3.553 3.524 3.578 . 0 0 "[ . 1 . 2]" 1
613 2 50 ASP HA 2 53 HIS H 3.500 . 4.000 3.786 3.502 3.914 . 0 0 "[ . 1 . 2]" 1
614 2 50 ASP HA 2 54 GLN H 5.500 . 6.000 4.292 3.806 5.025 . 0 0 "[ . 1 . 2]" 1
615 2 50 ASP HB3 2 51 GLN H 2.800 . 3.000 2.675 2.499 3.007 0.007 20 0 "[ . 1 . 2]" 1
616 2 51 GLN H 2 52 LEU H 2.800 . 3.000 2.522 2.398 2.656 . 0 0 "[ . 1 . 2]" 1
617 2 51 GLN H 2 55 LEU MD1 5.500 . 6.000 4.829 4.599 5.258 . 0 0 "[ . 1 . 2]" 1
618 2 51 GLN QB 2 52 LEU H 2.800 . 3.000 2.523 2.327 2.677 . 0 0 "[ . 1 . 2]" 1
619 2 51 GLN HE21 2 55 LEU MD1 3.500 . 4.000 3.480 3.063 3.576 . 0 0 "[ . 1 . 2]" 1
620 2 52 LEU H 2 53 HIS H 2.800 . 3.000 2.717 2.617 2.922 . 0 0 "[ . 1 . 2]" 1
621 2 52 LEU H 2 55 LEU MD1 5.500 . 6.000 3.867 3.485 4.488 . 0 0 "[ . 1 . 2]" 1
622 2 52 LEU HA 2 53 HIS H 3.500 . 4.000 3.564 3.509 3.590 . 0 0 "[ . 1 . 2]" 1
623 2 52 LEU HA 2 55 LEU H 3.500 . 4.000 3.724 3.161 4.005 0.005 10 0 "[ . 1 . 2]" 1
624 2 52 LEU QB 2 53 HIS H 3.500 . 4.000 2.613 2.432 2.901 . 0 0 "[ . 1 . 2]" 1
625 2 52 LEU MD1 2 53 HIS H 5.500 . 6.000 4.125 3.513 4.433 . 0 0 "[ . 1 . 2]" 1
626 2 52 LEU MD2 2 53 HIS H 5.500 . 6.000 4.402 4.133 4.615 . 0 0 "[ . 1 . 2]" 1
627 2 53 HIS H 2 54 GLN H 2.800 . 3.000 2.628 2.438 2.897 . 0 0 "[ . 1 . 2]" 1
628 2 53 HIS H 2 54 GLN HA 5.500 . 6.000 5.302 5.140 5.509 . 0 0 "[ . 1 . 2]" 1
629 2 53 HIS H 2 54 GLN QB 5.500 . 6.000 4.285 4.120 4.779 . 0 0 "[ . 1 . 2]" 1
630 2 53 HIS HA 2 54 GLN H 3.500 . 4.000 3.566 3.511 3.592 . 0 0 "[ . 1 . 2]" 1
631 2 53 HIS HA 2 56 ARG H 3.500 . 4.000 3.656 3.329 3.984 . 0 0 "[ . 1 . 2]" 1
632 2 53 HIS HA 2 57 GLU H 5.500 . 6.000 5.122 4.348 6.005 0.005 6 0 "[ . 1 . 2]" 1
633 2 53 HIS QB 2 54 GLN H 3.500 . 4.000 2.528 2.214 2.798 . 0 0 "[ . 1 . 2]" 1
634 2 54 GLN H 2 55 LEU H 2.800 . 3.000 2.646 2.420 2.794 . 0 0 "[ . 1 . 2]" 1
635 2 54 GLN H 2 55 LEU MD1 5.500 . 6.000 4.488 3.893 4.987 . 0 0 "[ . 1 . 2]" 1
636 2 54 GLN HA 2 55 LEU H 3.500 . 4.000 3.565 3.528 3.590 . 0 0 "[ . 1 . 2]" 1
637 2 54 GLN HA 2 57 GLU H 3.500 . 4.000 3.842 3.656 4.024 0.024 3 0 "[ . 1 . 2]" 1
638 2 54 GLN QB 2 55 LEU H 2.800 . 3.000 2.528 2.225 2.688 . 0 0 "[ . 1 . 2]" 1
639 2 54 GLN QB 2 56 ARG H 5.500 . 6.000 4.492 4.280 4.809 . 0 0 "[ . 1 . 2]" 1
640 2 55 LEU H 2 56 ARG H 2.800 . 3.000 2.666 2.543 2.761 . 0 0 "[ . 1 . 2]" 1
641 2 55 LEU HA 2 56 ARG H 3.500 . 4.000 3.511 3.475 3.557 . 0 0 "[ . 1 . 2]" 1
642 2 55 LEU HA 2 56 ARG QB 5.500 . 6.000 5.124 5.025 5.406 . 0 0 "[ . 1 . 2]" 1
643 2 55 LEU HA 2 58 LEU H 3.500 . 4.000 3.406 3.221 3.663 . 0 0 "[ . 1 . 2]" 1
644 2 55 LEU HA 2 58 LEU MD1 3.500 . 4.000 2.358 1.949 2.829 . 0 0 "[ . 1 . 2]" 1
645 2 55 LEU QB 2 57 GLU H 5.500 . 6.000 5.030 4.410 5.359 . 0 0 "[ . 1 . 2]" 1
646 2 55 LEU QB 2 58 LEU H 5.500 . 6.000 4.803 4.627 5.163 . 0 0 "[ . 1 . 2]" 1
647 2 55 LEU MD1 2 56 ARG H 5.500 . 6.000 4.525 4.204 4.716 . 0 0 "[ . 1 . 2]" 1
648 2 55 LEU HG 2 58 LEU H 5.500 . 6.000 5.501 4.941 6.002 0.002 20 0 "[ . 1 . 2]" 1
649 2 55 LEU HG 2 58 LEU MD1 3.500 . 4.000 3.070 2.393 3.379 . 0 0 "[ . 1 . 2]" 1
650 2 56 ARG H 2 57 GLU H 2.800 . 3.000 2.885 2.693 3.045 0.045 20 0 "[ . 1 . 2]" 1
651 2 56 ARG H 2 57 GLU QB 5.500 . 6.000 4.774 4.396 5.130 . 0 0 "[ . 1 . 2]" 1
652 2 56 ARG HA 2 57 GLU H 3.500 . 4.000 3.573 3.485 3.597 . 0 0 "[ . 1 . 2]" 1
653 2 56 ARG HA 2 59 PHE H 3.500 . 4.000 3.683 3.224 3.991 . 0 0 "[ . 1 . 2]" 1
654 2 56 ARG QD 2 57 GLU H 3.500 . 4.000 3.360 2.878 3.614 . 0 0 "[ . 1 . 2]" 1
655 2 56 ARG QG 2 57 GLU H 3.500 . 4.000 3.173 1.942 3.584 . 0 0 "[ . 1 . 2]" 1
656 2 57 GLU H 2 58 LEU H 2.800 . 3.000 2.724 2.489 3.057 0.057 18 0 "[ . 1 . 2]" 1
657 2 57 GLU HA 2 60 ILE H 5.500 . 6.000 3.950 3.809 4.108 . 0 0 "[ . 1 . 2]" 1
658 2 57 GLU QB 2 58 LEU H 3.500 . 4.000 2.811 2.117 3.574 . 0 0 "[ . 1 . 2]" 1
659 2 57 GLU QB 2 59 PHE H 5.500 . 6.000 4.558 4.344 4.892 . 0 0 "[ . 1 . 2]" 1
660 2 57 GLU HG3 2 58 LEU H 3.500 . 4.000 3.498 2.089 4.143 0.143 18 0 "[ . 1 . 2]" 1
661 2 58 LEU H 2 59 PHE H 2.800 . 3.000 2.679 2.504 2.931 . 0 0 "[ . 1 . 2]" 1
662 2 58 LEU H 2 59 PHE HB2 5.500 . 6.000 4.809 4.551 5.083 . 0 0 "[ . 1 . 2]" 1
663 2 58 LEU HA 2 59 PHE H 3.500 . 4.000 3.489 3.476 3.540 . 0 0 "[ . 1 . 2]" 1
664 2 58 LEU HA 2 61 ALA MB 3.500 . 4.000 2.367 2.081 2.641 . 0 0 "[ . 1 . 2]" 1
665 2 58 LEU MD2 2 62 ALA H 5.500 . 6.000 4.312 3.314 5.207 . 0 0 "[ . 1 . 2]" 1
666 2 59 PHE H 2 60 ILE H 2.800 . 3.000 2.880 2.783 2.983 . 0 0 "[ . 1 . 2]" 1
667 2 59 PHE H 2 60 ILE HB 5.500 . 6.000 4.982 4.864 5.106 . 0 0 "[ . 1 . 2]" 1
668 2 59 PHE HA 2 60 ILE H 3.500 . 4.000 3.571 3.525 3.590 . 0 0 "[ . 1 . 2]" 1
669 2 59 PHE HA 2 61 ALA H 5.500 . 6.000 4.608 4.331 5.016 . 0 0 "[ . 1 . 2]" 1
670 2 59 PHE HA 2 62 ALA MB 3.500 . 4.000 3.057 2.708 3.521 . 0 0 "[ . 1 . 2]" 1
671 2 59 PHE HB2 2 60 ILE H 3.500 . 4.000 3.801 3.524 3.998 . 0 0 "[ . 1 . 2]" 1
672 2 59 PHE HB3 2 60 ILE H 2.800 . 3.000 2.471 2.176 2.783 . 0 0 "[ . 1 . 2]" 1
673 2 59 PHE QD 2 60 ILE H 3.500 . 4.000 3.314 2.943 3.565 . 0 0 "[ . 1 . 2]" 1
674 2 60 ILE H 2 61 ALA H 2.800 . 3.000 2.584 2.431 2.738 . 0 0 "[ . 1 . 2]" 1
675 2 60 ILE H 2 61 ALA MB 5.500 . 6.000 4.108 3.968 4.274 . 0 0 "[ . 1 . 2]" 1
676 2 60 ILE H 2 62 ALA H 3.500 . 4.000 3.952 3.835 4.023 0.023 18 0 "[ . 1 . 2]" 1
677 2 60 ILE HA 2 61 ALA H 3.500 . 4.000 3.561 3.523 3.586 . 0 0 "[ . 1 . 2]" 1
678 2 60 ILE HA 2 62 ALA H 3.500 . 4.000 3.908 3.763 4.012 0.012 13 0 "[ . 1 . 2]" 1
679 2 60 ILE HA 2 63 SER H 3.500 . 4.000 3.968 3.687 4.020 0.020 20 0 "[ . 1 . 2]" 1
680 2 60 ILE HB 2 61 ALA H 2.800 . 3.000 2.551 2.321 2.780 . 0 0 "[ . 1 . 2]" 1
681 2 60 ILE HB 2 62 ALA H 5.500 . 6.000 4.770 4.630 4.911 . 0 0 "[ . 1 . 2]" 1
682 2 60 ILE MD 2 61 ALA H 5.500 . 6.000 4.103 3.430 4.586 . 0 0 "[ . 1 . 2]" 1
683 2 61 ALA HA 2 62 ALA H 3.500 . 4.000 3.490 3.473 3.517 . 0 0 "[ . 1 . 2]" 1
684 2 62 ALA H 2 63 SER H 2.800 . 3.000 2.603 2.370 2.905 . 0 0 "[ . 1 . 2]" 1
685 2 62 ALA HA 2 63 SER H 3.500 . 4.000 3.586 3.569 3.594 . 0 0 "[ . 1 . 2]" 1
686 2 62 ALA MB 2 63 SER H 2.800 . 3.000 2.094 1.924 2.274 . 0 0 "[ . 1 . 2]" 1
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