NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598013 |
2rvj   |
11601 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rvj
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 20
_Distance_constraint_stats_list.Viol_count 151
_Distance_constraint_stats_list.Viol_total 1144.044
_Distance_constraint_stats_list.Viol_max 1.708
_Distance_constraint_stats_list.Viol_rms 0.3904
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2542
_Distance_constraint_stats_list.Viol_average_violations_only 0.5051
_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 14 GLY 2.296 0.440 13 0 "[ . 1 .]"
1 15 LEU 2.493 0.440 13 0 "[ . 1 .]"
1 16 PRO 19.886 1.443 11 15 [*****-****+****]
1 18 ALA 19.886 1.443 11 15 [*****-****+****]
1 19 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 28 LEU 13.552 1.708 7 15 [-*****+********]
1 29 GLY 1.444 0.310 7 0 "[ . 1 .]"
1 31 PHE 1.444 0.310 7 0 "[ . 1 .]"
1 32 ALA 13.552 1.708 7 15 [-*****+********]
1 34 ASP 1.546 0.347 1 0 "[ . 1 .]"
1 35 ILE 18.608 0.954 5 15 [*-**+**********]
1 36 ARG 7.920 0.648 2 5 "[ +* . 1**- .]"
1 37 THR 8.887 0.777 3 14 "[**+****- ******]"
1 38 HIS 8.887 0.777 3 14 "[**+****- ******]"
1 45 ASN 1.934 0.856 7 1 "[ . + 1 .]"
1 48 GLY 0.964 0.576 7 1 "[ . + 1 .]"
1 49 ARG 0.970 0.856 7 1 "[ . + 1 .]"
1 52 GLY 0.198 0.059 6 0 "[ . 1 .]"
1 58 MET 12.436 0.954 5 15 [*-**+**********]
1 59 LYS 15.637 0.648 2 5 "[ +* . 1**- .]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 81 VAL 0.000 0.000 . 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 45 ASN QB 1 49 ARG H . . 4.000 3.263 2.500 4.856 0.856 7 1 "[ . + 1 .]" 1
2 1 45 ASN QB 1 48 GLY H . . 4.000 3.710 3.289 4.576 0.576 7 1 "[ . + 1 .]" 1
3 1 61 ALA HA 1 64 ALA MB . . 3.400 2.390 2.180 2.637 . 0 0 "[ . 1 .]" 1
4 1 14 GLY HA3 1 81 VAL HA . . 3.400 2.890 2.595 3.343 . 0 0 "[ . 1 .]" 1
5 1 14 GLY H 1 15 LEU H . . 2.000 2.149 1.964 2.440 0.440 13 0 "[ . 1 .]" 1
6 1 15 LEU H 1 52 GLY HA2 . . 3.400 3.042 2.684 3.387 . 0 0 "[ . 1 .]" 1
7 1 15 LEU H 1 52 GLY HA3 . . 3.600 3.435 3.075 3.659 0.059 6 0 "[ . 1 .]" 1
8 1 19 ALA MB 1 23 ASP QB . . 3.400 2.828 2.291 3.331 . 0 0 "[ . 1 .]" 1
9 1 16 PRO HA 1 18 ALA H . . 3.600 4.926 4.805 5.043 1.443 11 15 [*****-****+****] 1
10 1 29 GLY QA 1 31 PHE H . . 3.200 3.281 3.080 3.510 0.310 7 0 "[ . 1 .]" 1
11 1 29 GLY QA 1 32 ALA H . . 4.400 4.108 3.992 4.318 . 0 0 "[ . 1 .]" 1
12 1 28 LEU HA 1 32 ALA MB . . 4.000 4.903 4.576 5.708 1.708 7 15 [-*****+********] 1
13 1 34 ASP HA 1 59 LYS H . . 4.200 4.287 3.973 4.547 0.347 1 0 "[ . 1 .]" 1
14 1 35 ILE HA 1 59 LYS H . . 3.400 3.434 2.893 4.016 0.616 11 1 "[ . 1+ .]" 1
15 1 36 ARG HA 1 59 LYS H . . 4.600 4.745 4.256 5.235 0.635 12 2 "[ - . 1 + .]" 1
16 1 35 ILE H 1 58 MET HA . . 3.800 4.629 4.318 4.754 0.954 5 15 [*-**+**********] 1
17 1 35 ILE H 1 59 LYS H . . 4.600 4.858 4.550 5.198 0.598 11 1 "[ . 1+ .]" 1
18 1 36 ARG H 1 59 LYS HA . . 4.600 4.872 4.348 5.248 0.648 2 4 "[ + . 1**- .]" 1
19 1 37 THR H 1 38 HIS H . . 3.800 4.392 4.281 4.577 0.777 3 14 "[**+****- ******]" 1
20 1 45 ASN H 1 48 GLY H . . 3.800 3.584 3.267 3.911 0.111 8 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1079
_Distance_constraint_stats_list.Viol_count 2144
_Distance_constraint_stats_list.Viol_total 1260.317
_Distance_constraint_stats_list.Viol_max 0.275
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0392
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.066 0.030 6 0 "[ . 1 .]"
1 2 PRO 0.086 0.030 6 0 "[ . 1 .]"
1 3 PRO 0.020 0.020 5 0 "[ . 1 .]"
1 4 THR 0.079 0.040 12 0 "[ . 1 .]"
1 5 ASN 0.090 0.040 12 0 "[ . 1 .]"
1 6 VAL 0.186 0.045 2 0 "[ . 1 .]"
1 7 ARG 0.845 0.114 2 0 "[ . 1 .]"
1 8 ASP 1.062 0.117 5 0 "[ . 1 .]"
1 9 CYS 2.154 0.135 2 0 "[ . 1 .]"
1 10 ILE 3.214 0.139 13 0 "[ . 1 .]"
1 11 ARG 1.082 0.103 1 0 "[ . 1 .]"
1 12 LEU 3.065 0.132 15 0 "[ . 1 .]"
1 13 ARG 2.561 0.163 1 0 "[ . 1 .]"
1 14 GLY 1.411 0.163 1 0 "[ . 1 .]"
1 15 LEU 0.350 0.060 3 0 "[ . 1 .]"
1 16 PRO 2.836 0.132 2 0 "[ . 1 .]"
1 17 TYR 5.273 0.248 11 0 "[ . 1 .]"
1 18 ALA 4.199 0.248 11 0 "[ . 1 .]"
1 19 ALA 2.197 0.103 6 0 "[ . 1 .]"
1 20 THR 1.275 0.107 2 0 "[ . 1 .]"
1 21 ILE 0.817 0.059 1 0 "[ . 1 .]"
1 22 GLU 1.596 0.117 5 0 "[ . 1 .]"
1 23 ASP 0.790 0.065 15 0 "[ . 1 .]"
1 24 ILE 1.135 0.059 1 0 "[ . 1 .]"
1 25 LEU 1.419 0.067 12 0 "[ . 1 .]"
1 26 ASP 2.163 0.120 2 0 "[ . 1 .]"
1 27 PHE 2.124 0.120 2 0 "[ . 1 .]"
1 28 LEU 1.453 0.082 10 0 "[ . 1 .]"
1 29 GLY 0.911 0.082 10 0 "[ . 1 .]"
1 30 GLU 0.198 0.083 7 0 "[ . 1 .]"
1 31 PHE 0.373 0.048 10 0 "[ . 1 .]"
1 32 ALA 0.602 0.083 7 0 "[ . 1 .]"
1 33 THR 0.888 0.074 4 0 "[ . 1 .]"
1 34 ASP 1.265 0.104 1 0 "[ . 1 .]"
1 35 ILE 1.266 0.062 13 0 "[ . 1 .]"
1 36 ARG 1.247 0.114 13 0 "[ . 1 .]"
1 37 THR 0.840 0.114 13 0 "[ . 1 .]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 39 GLY 0.776 0.089 14 0 "[ . 1 .]"
1 40 VAL 0.760 0.076 4 0 "[ . 1 .]"
1 41 HIS 0.144 0.051 5 0 "[ . 1 .]"
1 42 MET 0.846 0.092 4 0 "[ . 1 .]"
1 43 VAL 0.440 0.050 6 0 "[ . 1 .]"
1 44 LEU 0.932 0.091 13 0 "[ . 1 .]"
1 45 ASN 1.626 0.091 7 0 "[ . 1 .]"
1 46 HIS 0.017 0.017 7 0 "[ . 1 .]"
1 47 GLN 1.090 0.093 8 0 "[ . 1 .]"
1 48 GLY 1.709 0.085 7 0 "[ . 1 .]"
1 49 ARG 0.950 0.091 7 0 "[ . 1 .]"
1 50 PRO 0.248 0.073 4 0 "[ . 1 .]"
1 51 SER 0.377 0.053 12 0 "[ . 1 .]"
1 52 GLY 0.389 0.045 8 0 "[ . 1 .]"
1 53 ASP 0.646 0.098 1 0 "[ . 1 .]"
1 54 ALA 0.470 0.092 4 0 "[ . 1 .]"
1 55 PHE 1.367 0.130 10 0 "[ . 1 .]"
1 56 ILE 1.656 0.123 8 0 "[ . 1 .]"
1 57 GLN 1.551 0.123 8 0 "[ . 1 .]"
1 58 MET 0.931 0.104 9 0 "[ . 1 .]"
1 59 LYS 2.205 0.226 11 0 "[ . 1 .]"
1 60 SER 2.985 0.108 8 0 "[ . 1 .]"
1 61 ALA 0.420 0.082 3 0 "[ . 1 .]"
1 62 ASP 2.428 0.159 15 0 "[ . 1 .]"
1 63 ARG 2.297 0.159 15 0 "[ . 1 .]"
1 64 ALA 1.156 0.059 7 0 "[ . 1 .]"
1 65 PHE 1.144 0.086 2 0 "[ . 1 .]"
1 66 MET 1.154 0.086 9 0 "[ . 1 .]"
1 67 ALA 0.670 0.040 8 0 "[ . 1 .]"
1 68 ALA 1.533 0.088 14 0 "[ . 1 .]"
1 69 GLN 1.609 0.104 10 0 "[ . 1 .]"
1 70 LYS 0.481 0.038 12 0 "[ . 1 .]"
1 71 CYS 1.513 0.099 4 0 "[ . 1 .]"
1 72 HIS 1.706 0.104 10 0 "[ . 1 .]"
1 73 LYS 0.573 0.073 5 0 "[ . 1 .]"
1 74 LYS 2.691 0.091 1 0 "[ . 1 .]"
1 75 ASN 0.981 0.120 8 0 "[ . 1 .]"
1 76 MET 0.715 0.098 6 0 "[ . 1 .]"
1 77 LYS 1.257 0.107 7 0 "[ . 1 .]"
1 78 ASP 3.874 0.154 14 0 "[ . 1 .]"
1 79 ARG 3.409 0.197 11 0 "[ . 1 .]"
1 80 TYR 4.062 0.197 11 0 "[ . 1 .]"
1 81 VAL 2.232 0.147 2 0 "[ . 1 .]"
1 82 GLU 0.021 0.012 10 0 "[ . 1 .]"
1 83 VAL 0.548 0.080 8 0 "[ . 1 .]"
1 84 PHE 0.505 0.103 1 0 "[ . 1 .]"
1 85 GLN 2.409 0.197 10 0 "[ . 1 .]"
1 86 CYS 3.323 0.197 10 0 "[ . 1 .]"
1 87 SER 1.322 0.117 5 0 "[ . 1 .]"
1 88 ALA 0.583 0.114 2 0 "[ . 1 .]"
1 89 GLU 0.806 0.066 6 0 "[ . 1 .]"
1 90 GLU 0.863 0.068 4 0 "[ . 1 .]"
1 91 MET 1.379 0.076 1 0 "[ . 1 .]"
1 92 ASN 1.461 0.066 6 0 "[ . 1 .]"
1 93 PHE 0.923 0.057 7 0 "[ . 1 .]"
1 94 VAL 1.588 0.076 1 0 "[ . 1 .]"
1 95 LEU 1.084 0.060 12 0 "[ . 1 .]"
1 96 MET 3.154 0.275 12 0 "[ . 1 .]"
1 97 GLY 2.868 0.275 12 0 "[ . 1 .]"
1 98 GLY 2.077 0.161 11 0 "[ . 1 .]"
1 99 THR 1.935 0.164 12 0 "[ . 1 .]"
1 100 LEU 0.941 0.164 12 0 "[ . 1 .]"
1 101 ASN 0.111 0.054 13 0 "[ . 1 .]"
1 102 ARG 0.253 0.116 15 0 "[ . 1 .]"
1 103 LEU 0.312 0.149 12 0 "[ . 1 .]"
1 104 GLU 0.149 0.149 12 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 MET HA 1 2 PRO HD2 . . 2.800 2.448 2.155 2.830 0.030 6 0 "[ . 1 .]" 2
2 1 1 MET HA 1 2 PRO HD3 . . 2.800 2.244 1.920 2.632 . 0 0 "[ . 1 .]" 2
3 1 2 PRO HA 1 3 PRO HD2 . . 2.800 2.474 1.982 2.820 0.020 5 0 "[ . 1 .]" 2
4 1 2 PRO HA 1 3 PRO HD3 . . 2.800 2.246 1.965 2.775 . 0 0 "[ . 1 .]" 2
5 1 4 THR HA 1 5 ASN H . . 2.800 2.288 2.047 2.683 . 0 0 "[ . 1 .]" 2
6 1 4 THR H 1 5 ASN H . . 4.600 4.002 2.692 4.601 0.001 13 0 "[ . 1 .]" 2
7 1 4 THR HB 1 5 ASN H . . 4.400 3.977 2.188 4.440 0.040 12 0 "[ . 1 .]" 2
8 1 4 THR MG 1 5 ASN H . . 6.400 3.156 1.865 4.238 . 0 0 "[ . 1 .]" 2
9 1 5 ASN H 1 5 ASN HA . . 3.000 2.876 2.826 2.931 . 0 0 "[ . 1 .]" 2
10 1 5 ASN HA 1 6 VAL H . . 2.400 2.211 2.010 2.409 0.009 8 0 "[ . 1 .]" 2
11 1 5 ASN H 1 6 VAL H . . 4.800 4.288 3.798 4.612 . 0 0 "[ . 1 .]" 2
12 1 5 ASN HB2 1 6 VAL H . . 5.000 3.898 2.392 4.522 . 0 0 "[ . 1 .]" 2
13 1 5 ASN HB3 1 6 VAL H . . 5.000 3.654 2.179 4.416 . 0 0 "[ . 1 .]" 2
14 1 6 VAL H 1 6 VAL HA . . 3.000 2.884 2.760 2.954 . 0 0 "[ . 1 .]" 2
15 1 6 VAL H 1 6 VAL HB . . 2.800 2.586 2.460 2.705 . 0 0 "[ . 1 .]" 2
16 1 6 VAL HA 1 7 ARG H . . 2.400 2.304 2.105 2.445 0.045 2 0 "[ . 1 .]" 2
17 1 6 VAL H 1 7 ARG H . . 4.800 4.487 4.042 4.608 . 0 0 "[ . 1 .]" 2
18 1 6 VAL HB 1 7 ARG H . . 5.000 3.807 3.450 4.279 . 0 0 "[ . 1 .]" 2
19 1 6 VAL MG1 1 7 ARG H . . 6.800 2.254 1.861 3.042 . 0 0 "[ . 1 .]" 2
20 1 6 VAL MG2 1 7 ARG H . . 5.400 4.009 3.913 4.181 . 0 0 "[ . 1 .]" 2
21 1 7 ARG H 1 7 ARG HA . . 3.000 2.885 2.848 2.931 . 0 0 "[ . 1 .]" 2
22 1 7 ARG H 1 7 ARG HB2 . . 4.000 2.876 2.432 3.722 . 0 0 "[ . 1 .]" 2
23 1 7 ARG H 1 7 ARG HB3 . . 4.000 3.423 2.565 3.745 . 0 0 "[ . 1 .]" 2
24 1 7 ARG H 1 7 ARG HG2 . . 4.400 3.261 1.922 4.429 0.029 10 0 "[ . 1 .]" 2
25 1 7 ARG H 1 7 ARG HG3 . . 4.400 2.879 2.429 4.423 0.023 10 0 "[ . 1 .]" 2
26 1 7 ARG H 1 7 ARG HD2 . . 5.400 4.582 2.505 5.004 . 0 0 "[ . 1 .]" 2
27 1 7 ARG H 1 7 ARG HD3 . . 5.400 4.542 2.758 5.142 . 0 0 "[ . 1 .]" 2
28 1 7 ARG H 1 87 SER HA . . 6.000 4.345 4.057 4.570 . 0 0 "[ . 1 .]" 2
29 1 7 ARG HA 1 8 ASP H . . 2.400 2.317 2.098 2.457 0.057 15 0 "[ . 1 .]" 2
30 1 7 ARG H 1 8 ASP H . . 4.000 3.600 3.334 3.765 . 0 0 "[ . 1 .]" 2
31 1 7 ARG HB2 1 8 ASP H . . 5.000 4.380 4.160 4.636 . 0 0 "[ . 1 .]" 2
32 1 7 ARG HB3 1 8 ASP H . . 5.000 4.301 4.080 4.575 . 0 0 "[ . 1 .]" 2
33 1 8 ASP H 1 8 ASP HA . . 3.000 2.942 2.914 2.971 . 0 0 "[ . 1 .]" 2
34 1 8 ASP H 1 8 ASP HB3 . . 4.000 3.106 2.795 3.277 . 0 0 "[ . 1 .]" 2
35 1 8 ASP H 1 8 ASP HB2 . . 4.000 3.734 3.624 3.852 . 0 0 "[ . 1 .]" 2
36 1 6 VAL MG2 1 8 ASP H . . 6.400 4.960 4.621 5.284 . 0 0 "[ . 1 .]" 2
37 1 8 ASP H 1 88 ALA H . . 4.000 3.520 3.079 3.794 . 0 0 "[ . 1 .]" 2
38 1 8 ASP H 1 87 SER HA . . 3.200 3.220 3.101 3.317 0.117 5 0 "[ . 1 .]" 2
39 1 8 ASP H 1 87 SER QB . . 6.800 4.798 4.435 5.167 . 0 0 "[ . 1 .]" 2
40 1 6 VAL HA 1 8 ASP H . . 5.000 4.641 4.338 4.849 . 0 0 "[ . 1 .]" 2
41 1 8 ASP H 1 61 ALA HA . . 5.000 4.453 4.276 4.772 . 0 0 "[ . 1 .]" 2
42 1 8 ASP HA 1 9 CYS H . . 3.400 3.110 3.018 3.245 . 0 0 "[ . 1 .]" 2
43 1 8 ASP H 1 9 CYS H . . 2.400 2.332 2.173 2.463 0.063 12 0 "[ . 1 .]" 2
44 1 8 ASP HB3 1 9 CYS H . . 5.000 4.551 4.431 4.636 . 0 0 "[ . 1 .]" 2
45 1 8 ASP HB2 1 9 CYS H . . 5.000 4.388 4.336 4.446 . 0 0 "[ . 1 .]" 2
46 1 9 CYS H 1 9 CYS HA . . 3.000 2.907 2.899 2.914 . 0 0 "[ . 1 .]" 2
47 1 9 CYS H 1 9 CYS HB2 . . 4.000 2.605 2.549 2.654 . 0 0 "[ . 1 .]" 2
48 1 9 CYS H 1 9 CYS HB3 . . 4.000 3.679 3.640 3.723 . 0 0 "[ . 1 .]" 2
49 1 7 ARG HA 1 9 CYS H . . 4.400 3.094 2.804 3.411 . 0 0 "[ . 1 .]" 2
50 1 9 CYS H 1 86 CYS H . . 3.400 3.438 3.383 3.502 0.102 14 0 "[ . 1 .]" 2
51 1 9 CYS H 1 87 SER HA . . 4.400 3.463 3.263 3.805 . 0 0 "[ . 1 .]" 2
52 1 9 CYS H 1 57 GLN HA . . 5.000 4.761 4.563 4.938 . 0 0 "[ . 1 .]" 2
53 1 9 CYS H 1 58 MET H . . 5.000 4.801 4.665 4.968 . 0 0 "[ . 1 .]" 2
54 1 9 CYS H 1 85 GLN HA . . 5.200 5.149 4.845 5.262 0.062 12 0 "[ . 1 .]" 2
55 1 9 CYS H 1 61 ALA HA . . 5.400 4.954 4.686 5.136 . 0 0 "[ . 1 .]" 2
56 1 9 CYS HA 1 10 ILE H . . 2.400 2.187 2.050 2.356 . 0 0 "[ . 1 .]" 2
57 1 9 CYS H 1 10 ILE H . . 4.800 4.341 4.284 4.395 . 0 0 "[ . 1 .]" 2
58 1 9 CYS HB2 1 10 ILE H . . 3.600 3.674 3.602 3.735 0.135 2 0 "[ . 1 .]" 2
59 1 9 CYS HB3 1 10 ILE H . . 3.600 2.775 2.574 2.948 . 0 0 "[ . 1 .]" 2
60 1 10 ILE H 1 10 ILE HA . . 3.000 2.939 2.915 2.955 . 0 0 "[ . 1 .]" 2
61 1 10 ILE H 1 10 ILE HG13 . . 3.000 2.269 2.162 2.374 . 0 0 "[ . 1 .]" 2
62 1 10 ILE H 1 10 ILE HG12 . . 3.000 3.098 3.068 3.139 0.139 13 0 "[ . 1 .]" 2
63 1 10 ILE H 1 56 ILE H . . 3.400 2.807 2.604 3.030 . 0 0 "[ . 1 .]" 2
64 1 10 ILE H 1 56 ILE HA . . 5.200 4.671 4.570 4.807 . 0 0 "[ . 1 .]" 2
65 1 10 ILE H 1 57 GLN HA . . 3.400 3.230 2.783 3.425 0.025 12 0 "[ . 1 .]" 2
66 1 10 ILE H 1 85 GLN HA . . 5.000 4.948 4.653 5.074 0.074 4 0 "[ . 1 .]" 2
67 1 10 ILE H 1 86 CYS H . . 5.200 4.697 4.390 5.011 . 0 0 "[ . 1 .]" 2
68 1 10 ILE HA 1 11 ARG H . . 2.400 2.229 2.089 2.337 . 0 0 "[ . 1 .]" 2
69 1 10 ILE H 1 11 ARG H . . 4.800 4.334 4.216 4.404 . 0 0 "[ . 1 .]" 2
70 1 10 ILE HB 1 11 ARG H . . 3.600 3.612 3.444 3.669 0.069 14 0 "[ . 1 .]" 2
71 1 10 ILE HG13 1 11 ARG H . . 5.800 5.177 5.101 5.219 . 0 0 "[ . 1 .]" 2
72 1 10 ILE HG12 1 11 ARG H . . 5.800 4.846 4.567 4.950 . 0 0 "[ . 1 .]" 2
73 1 10 ILE MG 1 11 ARG H . . 6.400 2.421 2.187 2.539 . 0 0 "[ . 1 .]" 2
74 1 11 ARG H 1 11 ARG HA . . 3.000 2.920 2.903 2.932 . 0 0 "[ . 1 .]" 2
75 1 11 ARG H 1 11 ARG HB2 . . 4.000 3.031 2.881 3.189 . 0 0 "[ . 1 .]" 2
76 1 11 ARG H 1 11 ARG HB3 . . 4.000 2.611 2.452 2.864 . 0 0 "[ . 1 .]" 2
77 1 11 ARG H 1 11 ARG HG2 . . 5.400 4.398 4.203 4.581 . 0 0 "[ . 1 .]" 2
78 1 11 ARG H 1 11 ARG HG3 . . 5.400 4.646 4.587 4.696 . 0 0 "[ . 1 .]" 2
79 1 11 ARG H 1 84 PHE H . . 3.200 3.045 2.905 3.216 0.016 4 0 "[ . 1 .]" 2
80 1 11 ARG H 1 84 PHE HA . . 5.200 4.770 4.663 4.852 . 0 0 "[ . 1 .]" 2
81 1 11 ARG H 1 85 GLN H . . 5.200 4.762 4.688 4.846 . 0 0 "[ . 1 .]" 2
82 1 11 ARG H 1 84 PHE HB2 . . 4.800 4.059 3.374 4.903 0.103 1 0 "[ . 1 .]" 2
83 1 11 ARG H 1 84 PHE HB3 . . 4.800 4.344 3.349 4.844 0.044 11 0 "[ . 1 .]" 2
84 1 11 ARG H 1 85 GLN HA . . 3.600 3.380 3.252 3.555 . 0 0 "[ . 1 .]" 2
85 1 11 ARG H 1 55 PHE HA . . 5.200 4.675 4.582 4.743 . 0 0 "[ . 1 .]" 2
86 1 11 ARG H 1 56 ILE H . . 5.000 4.832 4.660 4.920 . 0 0 "[ . 1 .]" 2
87 1 11 ARG H 1 83 VAL HA . . 4.800 4.664 4.518 4.809 0.009 4 0 "[ . 1 .]" 2
88 1 11 ARG HA 1 12 LEU H . . 2.600 2.086 1.987 2.173 . 0 0 "[ . 1 .]" 2
89 1 11 ARG H 1 12 LEU H . . 4.800 4.219 4.135 4.267 . 0 0 "[ . 1 .]" 2
90 1 11 ARG HB2 1 12 LEU H . . 4.400 4.217 4.074 4.342 . 0 0 "[ . 1 .]" 2
91 1 11 ARG HB3 1 12 LEU H . . 4.400 4.159 3.949 4.281 . 0 0 "[ . 1 .]" 2
92 1 11 ARG HG2 1 12 LEU H . . 4.000 3.179 2.867 3.421 . 0 0 "[ . 1 .]" 2
93 1 11 ARG HG3 1 12 LEU H . . 4.000 3.189 2.689 3.656 . 0 0 "[ . 1 .]" 2
94 1 12 LEU H 1 12 LEU HA . . 3.000 2.941 2.920 2.958 . 0 0 "[ . 1 .]" 2
95 1 12 LEU H 1 12 LEU HB3 . . 3.600 3.644 3.628 3.673 0.073 10 0 "[ . 1 .]" 2
96 1 12 LEU H 1 12 LEU HB2 . . 3.600 2.730 2.604 2.872 . 0 0 "[ . 1 .]" 2
97 1 12 LEU H 1 12 LEU HG . . 4.400 2.309 2.150 2.491 . 0 0 "[ . 1 .]" 2
98 1 12 LEU H 1 12 LEU MD2 . . 5.400 3.082 2.711 3.372 . 0 0 "[ . 1 .]" 2
99 1 12 LEU H 1 54 ALA H . . 3.200 2.815 2.676 2.964 . 0 0 "[ . 1 .]" 2
100 1 12 LEU H 1 54 ALA HA . . 5.000 4.676 4.519 4.801 . 0 0 "[ . 1 .]" 2
101 1 12 LEU H 1 55 PHE H . . 5.000 4.684 4.487 4.822 . 0 0 "[ . 1 .]" 2
102 1 12 LEU H 1 55 PHE HA . . 3.600 3.224 3.068 3.310 . 0 0 "[ . 1 .]" 2
103 1 12 LEU H 1 55 PHE HB2 . . 5.800 5.856 5.677 5.930 0.130 10 0 "[ . 1 .]" 2
104 1 12 LEU H 1 55 PHE HB3 . . 5.800 5.706 5.508 5.816 0.016 10 0 "[ . 1 .]" 2
105 1 12 LEU H 1 56 ILE H . . 5.200 4.424 4.204 4.672 . 0 0 "[ . 1 .]" 2
106 1 12 LEU H 1 53 ASP HA . . 5.000 4.597 4.485 4.698 . 0 0 "[ . 1 .]" 2
107 1 12 LEU HA 1 13 ARG H . . 2.400 2.229 2.107 2.299 . 0 0 "[ . 1 .]" 2
108 1 12 LEU H 1 13 ARG H . . 4.800 4.405 4.261 4.478 . 0 0 "[ . 1 .]" 2
109 1 12 LEU HB2 1 13 ARG H . . 3.600 3.666 3.612 3.732 0.132 15 0 "[ . 1 .]" 2
110 1 12 LEU HB3 1 13 ARG H . . 3.600 3.081 2.768 3.389 . 0 0 "[ . 1 .]" 2
111 1 12 LEU HG 1 13 ARG H . . 5.400 5.255 5.117 5.383 . 0 0 "[ . 1 .]" 2
112 1 13 ARG H 1 13 ARG HA . . 3.000 2.909 2.837 2.934 . 0 0 "[ . 1 .]" 2
113 1 13 ARG H 1 13 ARG HB2 . . 3.600 3.200 2.642 3.720 0.120 5 0 "[ . 1 .]" 2
114 1 13 ARG H 1 13 ARG HB3 . . 3.600 2.922 2.615 3.732 0.132 3 0 "[ . 1 .]" 2
115 1 13 ARG H 1 82 GLU H . . 3.400 3.157 2.902 3.403 0.003 6 0 "[ . 1 .]" 2
116 1 13 ARG H 1 54 ALA H . . 5.400 4.973 4.750 5.077 . 0 0 "[ . 1 .]" 2
117 1 13 ARG H 1 53 ASP HA . . 5.000 4.582 4.293 4.872 . 0 0 "[ . 1 .]" 2
118 1 13 ARG H 1 83 VAL HA . . 3.600 3.356 2.999 3.680 0.080 8 0 "[ . 1 .]" 2
119 1 13 ARG H 1 83 VAL H . . 5.400 4.766 4.572 4.884 . 0 0 "[ . 1 .]" 2
120 1 13 ARG H 1 82 GLU HA . . 5.400 4.747 4.513 4.916 . 0 0 "[ . 1 .]" 2
121 1 13 ARG H 1 81 VAL HA . . 5.200 4.277 3.779 4.785 . 0 0 "[ . 1 .]" 2
122 1 13 ARG HA 1 14 GLY H . . 2.400 2.094 1.976 2.280 . 0 0 "[ . 1 .]" 2
123 1 13 ARG H 1 14 GLY H . . 4.800 4.203 4.078 4.318 . 0 0 "[ . 1 .]" 2
124 1 13 ARG HB2 1 14 GLY H . . 4.000 3.981 3.026 4.163 0.163 1 0 "[ . 1 .]" 2
125 1 13 ARG HB3 1 14 GLY H . . 4.000 3.908 3.053 4.057 0.057 6 0 "[ . 1 .]" 2
126 1 13 ARG QG 1 14 GLY H . . 5.800 2.853 2.221 4.345 . 0 0 "[ . 1 .]" 2
127 1 14 GLY H 1 14 GLY HA2 . . 2.400 2.390 2.330 2.419 0.019 12 0 "[ . 1 .]" 2
128 1 14 GLY H 1 14 GLY HA3 . . 3.000 2.935 2.893 2.956 . 0 0 "[ . 1 .]" 2
129 1 14 GLY H 1 53 ASP HA . . 3.600 3.370 2.980 3.616 0.016 4 0 "[ . 1 .]" 2
130 1 14 GLY H 1 52 GLY HA3 . . 3.600 3.525 3.235 3.645 0.045 8 0 "[ . 1 .]" 2
131 1 14 GLY H 1 52 GLY HA2 . . 4.800 4.049 3.532 4.474 . 0 0 "[ . 1 .]" 2
132 1 14 GLY H 1 81 VAL HA . . 6.000 4.921 4.577 5.407 . 0 0 "[ . 1 .]" 2
133 1 14 GLY HA2 1 15 LEU H . . 3.000 2.879 2.679 2.993 . 0 0 "[ . 1 .]" 2
134 1 14 GLY HA3 1 15 LEU H . . 3.600 3.473 3.392 3.529 . 0 0 "[ . 1 .]" 2
135 1 15 LEU H 1 15 LEU HA . . 2.800 2.821 2.785 2.860 0.060 3 0 "[ . 1 .]" 2
136 1 15 LEU H 1 15 LEU HG . . 4.400 2.407 2.232 2.592 . 0 0 "[ . 1 .]" 2
137 1 15 LEU H 1 53 ASP HA . . 5.000 4.042 3.656 4.432 . 0 0 "[ . 1 .]" 2
138 1 13 ARG HA 1 15 LEU H . . 4.000 3.501 3.166 3.752 . 0 0 "[ . 1 .]" 2
139 1 15 LEU HA 1 16 PRO HD2 . . 3.000 2.448 2.246 2.710 . 0 0 "[ . 1 .]" 2
140 1 15 LEU HA 1 16 PRO HD3 . . 3.000 2.112 1.990 2.312 . 0 0 "[ . 1 .]" 2
141 1 16 PRO HA 1 17 TYR H . . 2.800 2.192 2.089 2.454 . 0 0 "[ . 1 .]" 2
142 1 16 PRO HD2 1 17 TYR H . . 5.800 5.393 5.135 5.618 . 0 0 "[ . 1 .]" 2
143 1 16 PRO HD3 1 17 TYR H . . 5.400 5.488 5.446 5.532 0.132 2 0 "[ . 1 .]" 2
144 1 16 PRO HB2 1 17 TYR H . . 3.600 3.123 2.696 3.482 . 0 0 "[ . 1 .]" 2
145 1 16 PRO HB3 1 17 TYR H . . 3.600 2.837 2.538 3.198 . 0 0 "[ . 1 .]" 2
146 1 17 TYR H 1 17 TYR HA . . 2.800 2.818 2.800 2.835 0.035 6 0 "[ . 1 .]" 2
147 1 17 TYR H 1 17 TYR HB2 . . 3.000 2.617 2.400 2.776 . 0 0 "[ . 1 .]" 2
148 1 17 TYR H 1 17 TYR HB3 . . 3.000 2.532 2.410 2.700 . 0 0 "[ . 1 .]" 2
149 1 17 TYR H 1 19 ALA H . . 5.000 4.424 4.245 4.592 . 0 0 "[ . 1 .]" 2
150 1 17 TYR HA 1 18 ALA H . . 3.600 1.916 1.789 2.016 . 0 0 "[ . 1 .]" 2
151 1 17 TYR H 1 18 ALA H . . 3.600 3.785 3.724 3.848 0.248 11 0 "[ . 1 .]" 2
152 1 17 TYR HB2 1 18 ALA H . . 4.800 4.213 4.136 4.288 . 0 0 "[ . 1 .]" 2
153 1 17 TYR HB3 1 18 ALA H . . 4.400 4.225 4.016 4.314 . 0 0 "[ . 1 .]" 2
154 1 18 ALA H 1 18 ALA HA . . 2.400 2.334 2.307 2.362 . 0 0 "[ . 1 .]" 2
155 1 16 PRO HB2 1 18 ALA H . . 4.000 4.019 3.988 4.043 0.043 11 0 "[ . 1 .]" 2
156 1 16 PRO HB3 1 18 ALA H . . 5.200 5.248 5.227 5.269 0.069 10 0 "[ . 1 .]" 2
157 1 18 ALA HA 1 19 ALA H . . 2.800 2.821 2.749 2.862 0.062 14 0 "[ . 1 .]" 2
158 1 18 ALA H 1 19 ALA H . . 2.800 2.253 2.171 2.523 . 0 0 "[ . 1 .]" 2
159 1 18 ALA MB 1 19 ALA H . . 6.400 3.651 3.611 3.694 . 0 0 "[ . 1 .]" 2
160 1 19 ALA H 1 19 ALA HA . . 2.800 2.823 2.780 2.879 0.079 4 0 "[ . 1 .]" 2
161 1 16 PRO HB2 1 19 ALA H . . 4.400 2.881 2.755 2.987 . 0 0 "[ . 1 .]" 2
162 1 16 PRO HB3 1 19 ALA H . . 6.000 4.549 4.389 4.669 . 0 0 "[ . 1 .]" 2
163 1 16 PRO HG2 1 19 ALA H . . 4.400 4.434 4.413 4.446 0.046 4 0 "[ . 1 .]" 2
164 1 17 TYR HB2 1 19 ALA H . . 5.800 5.860 5.803 5.903 0.103 6 0 "[ . 1 .]" 2
165 1 17 TYR HB3 1 19 ALA H . . 5.800 5.523 5.311 5.638 . 0 0 "[ . 1 .]" 2
166 1 19 ALA HA 1 20 THR H . . 2.400 2.218 2.161 2.319 . 0 0 "[ . 1 .]" 2
167 1 19 ALA H 1 20 THR H . . 4.800 4.546 4.375 4.667 . 0 0 "[ . 1 .]" 2
168 1 20 THR H 1 20 THR HA . . 2.800 2.837 2.789 2.878 0.078 12 0 "[ . 1 .]" 2
169 1 20 THR H 1 23 ASP QB . . 3.200 2.475 2.170 2.894 . 0 0 "[ . 1 .]" 2
170 1 20 THR H 1 23 ASP H . . 4.400 3.663 3.190 4.135 . 0 0 "[ . 1 .]" 2
171 1 20 THR H 1 24 ILE H . . 5.200 4.524 4.235 4.949 . 0 0 "[ . 1 .]" 2
172 1 20 THR H 1 22 GLU H . . 5.000 4.909 4.419 5.107 0.107 2 0 "[ . 1 .]" 2
173 1 20 THR HA 1 21 ILE H . . 2.400 2.413 2.348 2.450 0.050 7 0 "[ . 1 .]" 2
174 1 20 THR H 1 21 ILE H . . 4.800 4.506 4.417 4.595 . 0 0 "[ . 1 .]" 2
175 1 20 THR HB 1 21 ILE H . . 3.000 2.444 2.070 3.004 0.004 13 0 "[ . 1 .]" 2
176 1 20 THR MG 1 21 ILE H . . 6.400 3.441 2.204 3.622 . 0 0 "[ . 1 .]" 2
177 1 21 ILE H 1 21 ILE HA . . 3.000 2.798 2.772 2.822 . 0 0 "[ . 1 .]" 2
178 1 21 ILE H 1 21 ILE HB . . 4.000 3.142 2.488 3.690 . 0 0 "[ . 1 .]" 2
179 1 21 ILE H 1 21 ILE QG . . 4.600 2.193 1.952 4.003 . 0 0 "[ . 1 .]" 2
180 1 21 ILE H 1 23 ASP H . . 4.800 4.102 3.932 4.241 . 0 0 "[ . 1 .]" 2
181 1 21 ILE H 1 24 ILE H . . 5.000 4.786 4.655 4.918 . 0 0 "[ . 1 .]" 2
182 1 21 ILE HA 1 22 GLU H . . 3.600 3.457 3.357 3.521 . 0 0 "[ . 1 .]" 2
183 1 21 ILE H 1 22 GLU H . . 2.800 2.656 2.542 2.801 0.001 6 0 "[ . 1 .]" 2
184 1 21 ILE HB 1 22 GLU H . . 4.000 3.490 2.632 4.045 0.045 1 0 "[ . 1 .]" 2
185 1 21 ILE QG 1 22 GLU H . . 4.600 3.375 2.326 4.222 . 0 0 "[ . 1 .]" 2
186 1 22 GLU H 1 22 GLU HA . . 2.800 2.835 2.797 2.871 0.071 5 0 "[ . 1 .]" 2
187 1 22 GLU H 1 22 GLU HG2 . . 4.400 3.551 2.223 4.412 0.012 7 0 "[ . 1 .]" 2
188 1 22 GLU H 1 22 GLU HG3 . . 4.400 2.891 2.029 4.432 0.032 11 0 "[ . 1 .]" 2
189 1 20 THR MG 1 22 GLU H . . 6.800 4.195 3.230 4.549 . 0 0 "[ . 1 .]" 2
190 1 22 GLU H 1 24 ILE H . . 4.200 4.004 3.747 4.128 . 0 0 "[ . 1 .]" 2
191 1 22 GLU HA 1 23 ASP H . . 3.600 3.488 3.354 3.559 . 0 0 "[ . 1 .]" 2
192 1 22 GLU H 1 23 ASP H . . 2.800 2.491 2.249 2.671 . 0 0 "[ . 1 .]" 2
193 1 22 GLU QB 1 23 ASP H . . 4.600 2.804 2.268 3.702 . 0 0 "[ . 1 .]" 2
194 1 22 GLU HG2 1 23 ASP H . . 5.400 4.598 3.268 5.172 . 0 0 "[ . 1 .]" 2
195 1 22 GLU HG3 1 23 ASP H . . 5.400 4.456 3.954 4.883 . 0 0 "[ . 1 .]" 2
196 1 23 ASP H 1 23 ASP HA . . 2.800 2.822 2.783 2.855 0.055 15 0 "[ . 1 .]" 2
197 1 23 ASP H 1 23 ASP QB . . 3.400 2.256 2.162 2.298 . 0 0 "[ . 1 .]" 2
198 1 21 ILE HA 1 23 ASP H . . 4.400 4.125 3.789 4.409 0.009 9 0 "[ . 1 .]" 2
199 1 23 ASP H 1 25 LEU H . . 4.200 3.955 3.788 4.090 . 0 0 "[ . 1 .]" 2
200 1 23 ASP HA 1 24 ILE H . . 3.600 3.509 3.483 3.524 . 0 0 "[ . 1 .]" 2
201 1 23 ASP H 1 24 ILE H . . 2.800 2.509 2.399 2.620 . 0 0 "[ . 1 .]" 2
202 1 23 ASP QB 1 24 ILE H . . 4.000 2.600 2.408 2.794 . 0 0 "[ . 1 .]" 2
203 1 24 ILE H 1 24 ILE HA . . 2.800 2.826 2.819 2.835 0.035 4 0 "[ . 1 .]" 2
204 1 24 ILE H 1 24 ILE HB . . 3.000 2.548 2.449 2.639 . 0 0 "[ . 1 .]" 2
205 1 24 ILE H 1 24 ILE QG . . 4.600 4.011 3.961 4.155 . 0 0 "[ . 1 .]" 2
206 1 24 ILE H 1 24 ILE MD . . 5.800 4.432 4.044 4.541 . 0 0 "[ . 1 .]" 2
207 1 21 ILE HA 1 24 ILE H . . 3.500 3.283 2.978 3.441 . 0 0 "[ . 1 .]" 2
208 1 22 GLU HA 1 24 ILE H . . 4.400 4.329 4.119 4.426 0.026 14 0 "[ . 1 .]" 2
209 1 24 ILE H 1 26 ASP H . . 4.200 3.981 3.834 4.168 . 0 0 "[ . 1 .]" 2
210 1 24 ILE H 1 76 MET ME . . 6.400 3.774 3.335 4.504 . 0 0 "[ . 1 .]" 2
211 1 24 ILE HA 1 25 LEU H . . 3.600 3.510 3.483 3.550 . 0 0 "[ . 1 .]" 2
212 1 24 ILE H 1 25 LEU H . . 2.800 2.561 2.505 2.646 . 0 0 "[ . 1 .]" 2
213 1 24 ILE HB 1 25 LEU H . . 4.000 4.010 3.972 4.041 0.041 4 0 "[ . 1 .]" 2
214 1 24 ILE QG 1 25 LEU H . . 6.400 4.074 3.946 4.199 . 0 0 "[ . 1 .]" 2
215 1 24 ILE MD 1 25 LEU H . . 6.800 4.890 4.674 4.985 . 0 0 "[ . 1 .]" 2
216 1 25 LEU H 1 25 LEU HA . . 2.800 2.826 2.815 2.837 0.037 11 0 "[ . 1 .]" 2
217 1 25 LEU H 1 25 LEU HG . . 5.000 2.896 2.311 4.209 . 0 0 "[ . 1 .]" 2
218 1 22 GLU HA 1 25 LEU H . . 3.500 3.388 3.153 3.537 0.037 3 0 "[ . 1 .]" 2
219 1 21 ILE HA 1 25 LEU H . . 4.400 4.066 3.848 4.419 0.019 6 0 "[ . 1 .]" 2
220 1 23 ASP HA 1 25 LEU H . . 4.400 4.347 4.024 4.429 0.029 13 0 "[ . 1 .]" 2
221 1 25 LEU H 1 27 PHE H . . 4.200 4.077 4.035 4.115 . 0 0 "[ . 1 .]" 2
222 1 25 LEU HA 1 26 ASP H . . 3.600 3.469 3.438 3.517 . 0 0 "[ . 1 .]" 2
223 1 25 LEU H 1 26 ASP H . . 2.800 2.533 2.447 2.623 . 0 0 "[ . 1 .]" 2
224 1 25 LEU QB 1 26 ASP H . . 4.600 2.681 2.546 2.890 . 0 0 "[ . 1 .]" 2
225 1 25 LEU HG 1 26 ASP H . . 5.400 4.605 4.193 5.267 . 0 0 "[ . 1 .]" 2
226 1 25 LEU MD1 1 26 ASP H . . 6.400 4.591 4.358 4.782 . 0 0 "[ . 1 .]" 2
227 1 25 LEU MD2 1 26 ASP H . . 6.400 4.645 4.270 4.919 . 0 0 "[ . 1 .]" 2
228 1 26 ASP H 1 26 ASP HA . . 2.800 2.809 2.789 2.826 0.026 15 0 "[ . 1 .]" 2
229 1 26 ASP H 1 26 ASP HB2 . . 2.800 2.457 2.392 2.577 . 0 0 "[ . 1 .]" 2
230 1 26 ASP H 1 26 ASP HB3 . . 2.800 2.515 2.379 2.616 . 0 0 "[ . 1 .]" 2
231 1 23 ASP HA 1 26 ASP H . . 3.500 3.434 2.966 3.531 0.031 14 0 "[ . 1 .]" 2
232 1 22 GLU HA 1 26 ASP H . . 4.200 4.121 3.880 4.317 0.117 5 0 "[ . 1 .]" 2
233 1 24 ILE HA 1 26 ASP H . . 4.400 4.168 3.975 4.396 . 0 0 "[ . 1 .]" 2
234 1 26 ASP H 1 28 LEU H . . 4.200 4.020 3.923 4.099 . 0 0 "[ . 1 .]" 2
235 1 26 ASP HA 1 27 PHE H . . 3.600 3.441 3.423 3.459 . 0 0 "[ . 1 .]" 2
236 1 26 ASP H 1 27 PHE H . . 2.800 2.597 2.484 2.725 . 0 0 "[ . 1 .]" 2
237 1 26 ASP HB3 1 27 PHE H . . 3.400 2.122 2.039 2.202 . 0 0 "[ . 1 .]" 2
238 1 26 ASP HB2 1 27 PHE H . . 3.400 3.490 3.445 3.520 0.120 2 0 "[ . 1 .]" 2
239 1 27 PHE H 1 27 PHE HA . . 2.800 2.793 2.758 2.809 0.009 10 0 "[ . 1 .]" 2
240 1 27 PHE H 1 27 PHE HB2 . . 3.400 2.606 2.476 2.680 . 0 0 "[ . 1 .]" 2
241 1 27 PHE H 1 27 PHE HB3 . . 3.400 2.454 2.363 2.504 . 0 0 "[ . 1 .]" 2
242 1 24 ILE HA 1 27 PHE H . . 3.500 3.206 2.970 3.474 . 0 0 "[ . 1 .]" 2
243 1 23 ASP HA 1 27 PHE H . . 4.200 4.072 3.872 4.265 0.065 15 0 "[ . 1 .]" 2
244 1 25 LEU HA 1 27 PHE H . . 4.400 4.429 4.382 4.467 0.067 12 0 "[ . 1 .]" 2
245 1 27 PHE H 1 29 GLY H . . 4.200 4.133 3.988 4.222 0.022 11 0 "[ . 1 .]" 2
246 1 27 PHE HA 1 28 LEU H . . 3.600 3.504 3.487 3.513 . 0 0 "[ . 1 .]" 2
247 1 27 PHE H 1 28 LEU H . . 2.800 2.791 2.708 2.821 0.021 2 0 "[ . 1 .]" 2
248 1 27 PHE HB2 1 28 LEU H . . 4.000 3.920 3.846 3.989 . 0 0 "[ . 1 .]" 2
249 1 27 PHE HB3 1 28 LEU H . . 4.000 2.603 2.496 2.694 . 0 0 "[ . 1 .]" 2
250 1 28 LEU H 1 28 LEU HA . . 2.800 2.815 2.805 2.830 0.030 5 0 "[ . 1 .]" 2
251 1 28 LEU H 1 28 LEU HG . . 2.800 2.481 2.413 2.639 . 0 0 "[ . 1 .]" 2
252 1 28 LEU H 1 28 LEU MD2 . . 5.400 3.513 3.411 3.699 . 0 0 "[ . 1 .]" 2
253 1 25 LEU HA 1 28 LEU H . . 3.500 3.259 3.145 3.426 . 0 0 "[ . 1 .]" 2
254 1 24 ILE HA 1 28 LEU H . . 4.200 4.041 3.885 4.230 0.030 11 0 "[ . 1 .]" 2
255 1 26 ASP HA 1 28 LEU H . . 4.400 4.412 4.379 4.437 0.037 6 0 "[ . 1 .]" 2
256 1 28 LEU HA 1 29 GLY H . . 3.600 3.495 3.456 3.518 . 0 0 "[ . 1 .]" 2
257 1 28 LEU H 1 29 GLY H . . 2.800 2.630 2.567 2.718 . 0 0 "[ . 1 .]" 2
258 1 28 LEU HB2 1 29 GLY H . . 3.600 2.808 2.705 2.984 . 0 0 "[ . 1 .]" 2
259 1 28 LEU HB3 1 29 GLY H . . 3.600 3.656 3.623 3.682 0.082 10 0 "[ . 1 .]" 2
260 1 28 LEU HG 1 29 GLY H . . 5.000 4.563 4.458 4.734 . 0 0 "[ . 1 .]" 2
261 1 28 LEU QD 1 29 GLY H . . 6.800 4.199 4.147 4.270 . 0 0 "[ . 1 .]" 2
262 1 29 GLY H 1 29 GLY QA . . 2.400 2.281 2.254 2.291 . 0 0 "[ . 1 .]" 2
263 1 26 ASP HA 1 29 GLY H . . 4.000 3.539 3.291 3.797 . 0 0 "[ . 1 .]" 2
264 1 25 LEU HA 1 29 GLY H . . 5.000 4.302 4.024 4.654 . 0 0 "[ . 1 .]" 2
265 1 27 PHE HA 1 29 GLY H . . 4.800 4.273 4.100 4.451 . 0 0 "[ . 1 .]" 2
266 1 29 GLY QA 1 30 GLU H . . 2.600 1.913 1.763 2.047 . 0 0 "[ . 1 .]" 2
267 1 29 GLY H 1 30 GLU H . . 4.600 4.369 4.229 4.438 . 0 0 "[ . 1 .]" 2
268 1 30 GLU H 1 30 GLU HA . . 3.000 2.793 2.727 2.842 . 0 0 "[ . 1 .]" 2
269 1 30 GLU H 1 30 GLU HB3 . . 4.400 3.577 2.658 3.689 . 0 0 "[ . 1 .]" 2
270 1 30 GLU H 1 30 GLU HB2 . . 4.400 2.627 2.406 2.812 . 0 0 "[ . 1 .]" 2
271 1 30 GLU HA 1 31 PHE H . . 3.600 3.468 3.409 3.512 . 0 0 "[ . 1 .]" 2
272 1 30 GLU H 1 31 PHE H . . 3.200 2.784 2.561 2.962 . 0 0 "[ . 1 .]" 2
273 1 30 GLU HB3 1 31 PHE H . . 4.000 3.797 2.596 4.010 0.010 12 0 "[ . 1 .]" 2
274 1 30 GLU HB2 1 31 PHE H . . 4.000 2.953 2.477 3.792 . 0 0 "[ . 1 .]" 2
275 1 30 GLU QG 1 31 PHE H . . 5.400 4.109 3.768 4.480 . 0 0 "[ . 1 .]" 2
276 1 31 PHE H 1 31 PHE HA . . 2.800 2.821 2.794 2.848 0.048 10 0 "[ . 1 .]" 2
277 1 31 PHE H 1 31 PHE HB3 . . 4.000 3.604 3.586 3.620 . 0 0 "[ . 1 .]" 2
278 1 31 PHE H 1 31 PHE HB2 . . 4.000 2.493 2.392 2.593 . 0 0 "[ . 1 .]" 2
279 1 31 PHE H 1 33 THR H . . 5.000 4.367 4.041 4.679 . 0 0 "[ . 1 .]" 2
280 1 31 PHE HA 1 32 ALA H . . 3.600 3.368 3.210 3.426 . 0 0 "[ . 1 .]" 2
281 1 31 PHE H 1 32 ALA H . . 2.800 2.631 2.518 2.750 . 0 0 "[ . 1 .]" 2
282 1 31 PHE HB3 1 32 ALA H . . 4.600 4.153 4.042 4.358 . 0 0 "[ . 1 .]" 2
283 1 31 PHE HB2 1 32 ALA H . . 4.600 3.343 3.069 3.675 . 0 0 "[ . 1 .]" 2
284 1 32 ALA H 1 32 ALA HA . . 2.800 2.825 2.794 2.847 0.047 10 0 "[ . 1 .]" 2
285 1 30 GLU HA 1 32 ALA H . . 3.800 3.695 3.485 3.883 0.083 7 0 "[ . 1 .]" 2
286 1 32 ALA HA 1 33 THR H . . 3.600 3.413 3.377 3.458 . 0 0 "[ . 1 .]" 2
287 1 32 ALA H 1 33 THR H . . 2.800 2.582 2.436 2.801 0.001 15 0 "[ . 1 .]" 2
288 1 32 ALA MB 1 33 THR H . . 6.400 3.038 2.936 3.118 . 0 0 "[ . 1 .]" 2
289 1 33 THR H 1 33 THR HA . . 2.800 2.852 2.825 2.874 0.074 4 0 "[ . 1 .]" 2
290 1 33 THR H 1 33 THR HB . . 3.000 2.575 2.436 2.892 . 0 0 "[ . 1 .]" 2
291 1 31 PHE HA 1 33 THR H . . 4.400 3.512 3.328 3.749 . 0 0 "[ . 1 .]" 2
292 1 30 GLU HA 1 33 THR H . . 5.400 4.061 3.512 4.641 . 0 0 "[ . 1 .]" 2
293 1 33 THR H 1 35 ILE H . . 4.200 4.059 3.880 4.203 0.003 14 0 "[ . 1 .]" 2
294 1 33 THR HA 1 34 ASP H . . 3.600 3.406 3.259 3.516 . 0 0 "[ . 1 .]" 2
295 1 33 THR H 1 34 ASP H . . 2.800 2.370 2.241 2.562 . 0 0 "[ . 1 .]" 2
296 1 33 THR HB 1 34 ASP H . . 4.800 3.403 2.939 4.419 . 0 0 "[ . 1 .]" 2
297 1 33 THR MG 1 34 ASP H . . 6.400 3.923 2.827 4.250 . 0 0 "[ . 1 .]" 2
298 1 34 ASP H 1 34 ASP HA . . 2.800 2.884 2.863 2.904 0.104 1 0 "[ . 1 .]" 2
299 1 31 PHE HA 1 34 ASP H . . 3.800 3.327 2.864 3.761 . 0 0 "[ . 1 .]" 2
300 1 32 ALA HA 1 34 ASP H . . 4.000 3.742 3.438 3.967 . 0 0 "[ . 1 .]" 2
301 1 34 ASP HA 1 35 ILE H . . 3.600 3.164 3.038 3.390 . 0 0 "[ . 1 .]" 2
302 1 34 ASP H 1 35 ILE H . . 2.800 2.305 2.178 2.418 . 0 0 "[ . 1 .]" 2
303 1 34 ASP QB 1 35 ILE H . . 5.800 3.493 3.191 3.694 . 0 0 "[ . 1 .]" 2
304 1 35 ILE H 1 35 ILE HA . . 2.800 2.818 2.754 2.850 0.050 5 0 "[ . 1 .]" 2
305 1 35 ILE H 1 35 ILE HB . . 2.800 2.560 2.406 2.706 . 0 0 "[ . 1 .]" 2
306 1 35 ILE H 1 35 ILE HG13 . . 4.400 4.417 4.351 4.461 0.061 12 0 "[ . 1 .]" 2
307 1 35 ILE H 1 35 ILE HG12 . . 4.400 4.409 4.291 4.462 0.062 13 0 "[ . 1 .]" 2
308 1 32 ALA HA 1 35 ILE H . . 4.000 3.716 3.267 4.037 0.037 6 0 "[ . 1 .]" 2
309 1 31 PHE HA 1 35 ILE H . . 5.800 5.226 4.759 5.818 0.018 2 0 "[ . 1 .]" 2
310 1 33 THR HA 1 35 ILE H . . 4.000 3.838 3.553 4.051 0.051 5 0 "[ . 1 .]" 2
311 1 35 ILE HA 1 36 ARG H . . 2.400 2.323 2.164 2.430 0.030 4 0 "[ . 1 .]" 2
312 1 35 ILE H 1 36 ARG H . . 4.800 4.586 4.494 4.631 . 0 0 "[ . 1 .]" 2
313 1 35 ILE HG13 1 36 ARG H . . 4.000 2.767 2.578 2.898 . 0 0 "[ . 1 .]" 2
314 1 35 ILE HG12 1 36 ARG H . . 4.000 2.431 2.142 2.694 . 0 0 "[ . 1 .]" 2
315 1 35 ILE HB 1 36 ARG H . . 5.400 4.104 3.996 4.158 . 0 0 "[ . 1 .]" 2
316 1 35 ILE MG 1 36 ARG H . . 5.400 3.702 3.484 3.903 . 0 0 "[ . 1 .]" 2
317 1 35 ILE MD 1 36 ARG H . . 6.800 3.977 3.743 4.177 . 0 0 "[ . 1 .]" 2
318 1 36 ARG H 1 36 ARG HA . . 3.000 2.866 2.822 2.904 . 0 0 "[ . 1 .]" 2
319 1 36 ARG H 1 36 ARG HB2 . . 3.600 2.515 2.082 3.671 0.071 4 0 "[ . 1 .]" 2
320 1 36 ARG H 1 36 ARG HB3 . . 3.600 3.161 2.550 3.686 0.086 3 0 "[ . 1 .]" 2
321 1 36 ARG H 1 39 GLY H . . 4.800 4.285 3.936 4.597 . 0 0 "[ . 1 .]" 2
322 1 36 ARG H 1 39 GLY HA3 . . 4.800 3.458 2.788 3.995 . 0 0 "[ . 1 .]" 2
323 1 36 ARG H 1 58 MET HA . . 2.800 2.493 2.051 2.817 0.017 3 0 "[ . 1 .]" 2
324 1 36 ARG H 1 58 MET QG . . 6.800 4.430 3.666 5.148 . 0 0 "[ . 1 .]" 2
325 1 36 ARG HA 1 37 THR H . . 2.400 2.322 2.171 2.455 0.055 9 0 "[ . 1 .]" 2
326 1 36 ARG H 1 37 THR H . . 4.800 4.540 4.447 4.618 . 0 0 "[ . 1 .]" 2
327 1 36 ARG HB3 1 37 THR H . . 3.600 3.031 2.062 3.689 0.089 4 0 "[ . 1 .]" 2
328 1 36 ARG HB2 1 37 THR H . . 4.000 3.761 2.280 4.114 0.114 13 0 "[ . 1 .]" 2
329 1 36 ARG QG 1 37 THR H . . 6.400 3.173 2.074 4.090 . 0 0 "[ . 1 .]" 2
330 1 37 THR H 1 37 THR HA . . 3.000 2.778 2.722 2.888 . 0 0 "[ . 1 .]" 2
331 1 37 THR H 1 37 THR HB . . 3.400 2.721 2.491 3.464 0.064 1 0 "[ . 1 .]" 2
332 1 37 THR HA 1 38 HIS H . . 3.600 2.130 2.049 2.229 . 0 0 "[ . 1 .]" 2
333 1 37 THR HB 1 38 HIS H . . 5.000 4.205 3.595 4.447 . 0 0 "[ . 1 .]" 2
334 1 37 THR MG 1 38 HIS H . . 6.400 3.322 2.896 4.225 . 0 0 "[ . 1 .]" 2
335 1 38 HIS H 1 38 HIS HA . . 3.000 2.239 2.209 2.268 . 0 0 "[ . 1 .]" 2
336 1 38 HIS HA 1 39 GLY H . . 3.200 2.858 2.534 2.994 . 0 0 "[ . 1 .]" 2
337 1 38 HIS H 1 39 GLY H . . 3.400 2.585 2.495 2.690 . 0 0 "[ . 1 .]" 2
338 1 39 GLY H 1 39 GLY HA2 . . 2.800 2.839 2.812 2.889 0.089 14 0 "[ . 1 .]" 2
339 1 39 GLY H 1 39 GLY HA3 . . 2.800 2.286 2.256 2.355 . 0 0 "[ . 1 .]" 2
340 1 36 ARG HB3 1 39 GLY H . . 5.400 4.260 3.016 5.426 0.026 4 0 "[ . 1 .]" 2
341 1 36 ARG HB2 1 39 GLY H . . 5.400 4.498 3.602 5.357 . 0 0 "[ . 1 .]" 2
342 1 35 ILE MG 1 39 GLY H . . 6.000 4.353 3.793 5.221 . 0 0 "[ . 1 .]" 2
343 1 37 THR HA 1 39 GLY H . . 4.000 3.663 3.214 4.026 0.026 9 0 "[ . 1 .]" 2
344 1 39 GLY HA2 1 40 VAL H . . 3.400 3.267 2.849 3.418 0.018 1 0 "[ . 1 .]" 2
345 1 39 GLY HA3 1 40 VAL H . . 3.600 3.222 3.058 3.519 . 0 0 "[ . 1 .]" 2
346 1 39 GLY H 1 40 VAL H . . 3.000 2.664 2.370 3.015 0.015 14 0 "[ . 1 .]" 2
347 1 40 VAL H 1 40 VAL HA . . 3.000 2.882 2.841 2.954 . 0 0 "[ . 1 .]" 2
348 1 40 VAL H 1 40 VAL HB . . 2.800 2.777 2.608 2.858 0.058 2 0 "[ . 1 .]" 2
349 1 35 ILE MG 1 40 VAL H . . 6.400 5.326 4.814 6.407 0.007 14 0 "[ . 1 .]" 2
350 1 38 HIS HA 1 40 VAL H . . 4.400 3.127 2.774 3.516 . 0 0 "[ . 1 .]" 2
351 1 38 HIS QB 1 40 VAL H . . 6.400 4.438 3.982 5.051 . 0 0 "[ . 1 .]" 2
352 1 40 VAL H 1 56 ILE HA . . 5.400 4.503 4.271 4.834 . 0 0 "[ . 1 .]" 2
353 1 40 VAL HA 1 41 HIS H . . 2.400 2.105 2.059 2.157 . 0 0 "[ . 1 .]" 2
354 1 40 VAL H 1 41 HIS H . . 4.800 4.318 4.149 4.436 . 0 0 "[ . 1 .]" 2
355 1 40 VAL HB 1 41 HIS H . . 5.400 4.259 4.113 4.431 . 0 0 "[ . 1 .]" 2
356 1 40 VAL MG1 1 41 HIS H . . 6.800 3.871 2.911 4.306 . 0 0 "[ . 1 .]" 2
357 1 40 VAL MG2 1 41 HIS H . . 5.400 3.305 2.676 4.276 . 0 0 "[ . 1 .]" 2
358 1 41 HIS H 1 41 HIS HA . . 3.000 2.932 2.914 2.948 . 0 0 "[ . 1 .]" 2
359 1 41 HIS H 1 41 HIS HB2 . . 4.400 2.597 2.487 2.714 . 0 0 "[ . 1 .]" 2
360 1 41 HIS H 1 41 HIS HB3 . . 4.400 3.732 3.670 3.809 . 0 0 "[ . 1 .]" 2
361 1 41 HIS H 1 55 PHE H . . 4.000 3.267 3.058 3.458 . 0 0 "[ . 1 .]" 2
362 1 41 HIS H 1 56 ILE HA . . 3.600 3.121 2.693 3.507 . 0 0 "[ . 1 .]" 2
363 1 41 HIS H 1 56 ILE H . . 5.400 4.725 4.547 4.852 . 0 0 "[ . 1 .]" 2
364 1 41 HIS H 1 55 PHE HB2 . . 5.400 3.641 3.058 4.281 . 0 0 "[ . 1 .]" 2
365 1 41 HIS H 1 55 PHE HB3 . . 5.400 4.463 3.993 5.017 . 0 0 "[ . 1 .]" 2
366 1 41 HIS HA 1 42 MET H . . 2.400 2.176 2.102 2.228 . 0 0 "[ . 1 .]" 2
367 1 41 HIS H 1 42 MET H . . 4.800 3.982 3.737 4.322 . 0 0 "[ . 1 .]" 2
368 1 41 HIS HB2 1 42 MET H . . 4.600 4.397 4.079 4.505 . 0 0 "[ . 1 .]" 2
369 1 41 HIS HB3 1 42 MET H . . 4.600 3.730 3.112 3.982 . 0 0 "[ . 1 .]" 2
370 1 42 MET H 1 42 MET HA . . 3.000 2.905 2.875 2.955 . 0 0 "[ . 1 .]" 2
371 1 42 MET H 1 54 ALA MB . . 6.400 4.073 3.795 4.627 . 0 0 "[ . 1 .]" 2
372 1 42 MET HA 1 43 VAL H . . 2.400 2.193 2.129 2.278 . 0 0 "[ . 1 .]" 2
373 1 42 MET H 1 43 VAL H . . 4.800 4.528 4.355 4.586 . 0 0 "[ . 1 .]" 2
374 1 42 MET HB2 1 43 VAL H . . 4.000 3.935 2.898 4.050 0.050 6 0 "[ . 1 .]" 2
375 1 42 MET HB3 1 43 VAL H . . 4.000 3.337 2.829 4.030 0.030 4 0 "[ . 1 .]" 2
376 1 42 MET QG 1 43 VAL H . . 5.800 3.677 2.443 4.161 . 0 0 "[ . 1 .]" 2
377 1 43 VAL H 1 43 VAL HA . . 3.000 2.877 2.857 2.899 . 0 0 "[ . 1 .]" 2
378 1 43 VAL H 1 43 VAL HB . . 2.600 2.526 2.500 2.566 . 0 0 "[ . 1 .]" 2
379 1 43 VAL H 1 54 ALA HA . . 3.000 2.269 2.069 2.629 . 0 0 "[ . 1 .]" 2
380 1 43 VAL H 1 54 ALA H . . 5.000 4.493 4.336 4.722 . 0 0 "[ . 1 .]" 2
381 1 43 VAL H 1 54 ALA MB . . 6.800 2.953 2.692 3.342 . 0 0 "[ . 1 .]" 2
382 1 43 VAL H 1 55 PHE H . . 5.000 4.161 3.951 4.705 . 0 0 "[ . 1 .]" 2
383 1 43 VAL HA 1 44 LEU H . . 2.400 2.085 1.996 2.164 . 0 0 "[ . 1 .]" 2
384 1 43 VAL H 1 44 LEU H . . 4.800 4.216 4.033 4.431 . 0 0 "[ . 1 .]" 2
385 1 43 VAL HB 1 44 LEU H . . 5.000 4.312 4.163 4.398 . 0 0 "[ . 1 .]" 2
386 1 43 VAL MG1 1 44 LEU H . . 6.800 3.084 2.758 3.320 . 0 0 "[ . 1 .]" 2
387 1 43 VAL MG2 1 44 LEU H . . 5.400 4.131 3.991 4.212 . 0 0 "[ . 1 .]" 2
388 1 44 LEU H 1 44 LEU HA . . 3.000 2.905 2.880 2.944 . 0 0 "[ . 1 .]" 2
389 1 44 LEU H 1 44 LEU HB2 . . 4.400 2.841 2.495 3.675 . 0 0 "[ . 1 .]" 2
390 1 44 LEU H 1 44 LEU HB3 . . 4.400 3.513 3.086 3.686 . 0 0 "[ . 1 .]" 2
391 1 44 LEU H 1 44 LEU HG . . 3.000 2.470 1.982 3.091 0.091 13 0 "[ . 1 .]" 2
392 1 44 LEU HA 1 45 ASN H . . 2.400 2.237 2.154 2.328 . 0 0 "[ . 1 .]" 2
393 1 44 LEU H 1 45 ASN H . . 4.800 4.455 4.396 4.500 . 0 0 "[ . 1 .]" 2
394 1 44 LEU HB2 1 45 ASN H . . 3.600 3.292 2.297 3.660 0.060 11 0 "[ . 1 .]" 2
395 1 44 LEU HB3 1 45 ASN H . . 3.600 2.851 2.530 3.615 0.015 12 0 "[ . 1 .]" 2
396 1 44 LEU HG 1 45 ASN H . . 5.000 4.850 4.026 5.026 0.026 4 0 "[ . 1 .]" 2
397 1 44 LEU MD1 1 45 ASN H . . 6.800 4.346 3.564 4.894 . 0 0 "[ . 1 .]" 2
398 1 44 LEU MD2 1 45 ASN H . . 6.800 3.908 3.441 4.695 . 0 0 "[ . 1 .]" 2
399 1 45 ASN H 1 45 ASN HA . . 3.000 2.927 2.906 2.948 . 0 0 "[ . 1 .]" 2
400 1 45 ASN H 1 51 SER H . . 4.400 3.864 3.517 4.168 . 0 0 "[ . 1 .]" 2
401 1 45 ASN H 1 48 GLY HA2 . . 4.000 4.018 3.943 4.057 0.057 15 0 "[ . 1 .]" 2
402 1 45 ASN H 1 48 GLY HA3 . . 5.400 5.381 5.247 5.453 0.053 9 0 "[ . 1 .]" 2
403 1 45 ASN H 1 49 ARG H . . 2.600 2.647 2.613 2.691 0.091 7 0 "[ . 1 .]" 2
404 1 45 ASN H 1 50 PRO HA . . 4.200 3.788 3.593 4.204 0.004 7 0 "[ . 1 .]" 2
405 1 45 ASN H 1 49 ARG QB . . 5.800 4.149 3.718 4.797 . 0 0 "[ . 1 .]" 2
406 1 46 HIS HA 1 47 GLN H . . 3.600 3.411 3.245 3.510 . 0 0 "[ . 1 .]" 2
407 1 46 HIS H 1 47 GLN H . . 2.800 2.693 2.578 2.817 0.017 7 0 "[ . 1 .]" 2
408 1 46 HIS QB 1 47 GLN H . . 5.800 2.983 2.511 3.368 . 0 0 "[ . 1 .]" 2
409 1 47 GLN H 1 47 GLN HA . . 2.800 2.842 2.810 2.893 0.093 8 0 "[ . 1 .]" 2
410 1 47 GLN H 1 47 GLN HB2 . . 2.800 2.531 2.430 2.693 . 0 0 "[ . 1 .]" 2
411 1 47 GLN H 1 47 GLN HB3 . . 2.800 2.528 2.389 2.714 . 0 0 "[ . 1 .]" 2
412 1 47 GLN H 1 47 GLN HG2 . . 4.800 4.461 4.390 4.533 . 0 0 "[ . 1 .]" 2
413 1 47 GLN H 1 47 GLN HG3 . . 4.800 4.457 4.389 4.544 . 0 0 "[ . 1 .]" 2
414 1 47 GLN H 1 49 ARG QB . . 6.400 4.873 4.306 5.569 . 0 0 "[ . 1 .]" 2
415 1 45 ASN QB 1 47 GLN H . . 5.400 2.880 2.610 3.415 . 0 0 "[ . 1 .]" 2
416 1 47 GLN H 1 48 GLY HA2 . . 5.400 4.778 4.463 5.009 . 0 0 "[ . 1 .]" 2
417 1 47 GLN H 1 48 GLY HA3 . . 5.400 5.150 4.903 5.290 . 0 0 "[ . 1 .]" 2
418 1 47 GLN HA 1 48 GLY H . . 3.400 3.346 3.095 3.426 0.026 14 0 "[ . 1 .]" 2
419 1 47 GLN H 1 48 GLY H . . 2.800 2.540 2.325 2.719 . 0 0 "[ . 1 .]" 2
420 1 47 GLN HB2 1 48 GLY H . . 4.400 4.251 4.109 4.346 . 0 0 "[ . 1 .]" 2
421 1 47 GLN HB3 1 48 GLY H . . 4.400 3.394 3.190 3.808 . 0 0 "[ . 1 .]" 2
422 1 47 GLN HG2 1 48 GLY H . . 5.200 4.503 4.275 4.795 . 0 0 "[ . 1 .]" 2
423 1 47 GLN HG3 1 48 GLY H . . 5.200 5.172 5.079 5.232 0.032 15 0 "[ . 1 .]" 2
424 1 48 GLY H 1 48 GLY HA2 . . 2.800 2.259 2.215 2.309 . 0 0 "[ . 1 .]" 2
425 1 48 GLY H 1 48 GLY HA3 . . 2.800 2.845 2.822 2.866 0.066 12 0 "[ . 1 .]" 2
426 1 46 HIS HA 1 48 GLY H . . 4.000 3.506 3.118 3.755 . 0 0 "[ . 1 .]" 2
427 1 46 HIS QB 1 48 GLY H . . 5.800 4.539 4.391 4.627 . 0 0 "[ . 1 .]" 2
428 1 44 LEU HB2 1 48 GLY H . . 5.000 4.458 3.382 5.012 0.012 9 0 "[ . 1 .]" 2
429 1 44 LEU HB3 1 48 GLY H . . 5.000 4.159 3.660 5.085 0.085 7 0 "[ . 1 .]" 2
430 1 44 LEU MD1 1 48 GLY H . . 6.400 4.533 3.482 6.210 . 0 0 "[ . 1 .]" 2
431 1 44 LEU MD2 1 48 GLY H . . 6.400 5.004 4.140 5.831 . 0 0 "[ . 1 .]" 2
432 1 48 GLY HA2 1 49 ARG H . . 3.600 2.890 2.782 3.064 . 0 0 "[ . 1 .]" 2
433 1 48 GLY HA3 1 49 ARG H . . 3.600 3.448 3.422 3.473 . 0 0 "[ . 1 .]" 2
434 1 48 GLY H 1 49 ARG H . . 2.800 2.396 2.287 2.594 . 0 0 "[ . 1 .]" 2
435 1 49 ARG H 1 49 ARG HA . . 3.000 2.924 2.900 2.945 . 0 0 "[ . 1 .]" 2
436 1 47 GLN HA 1 49 ARG H . . 4.800 4.786 4.688 4.849 0.049 9 0 "[ . 1 .]" 2
437 1 47 GLN HB2 1 49 ARG H . . 5.000 4.755 4.408 4.942 . 0 0 "[ . 1 .]" 2
438 1 47 GLN HB3 1 49 ARG H . . 4.000 3.177 2.786 3.534 . 0 0 "[ . 1 .]" 2
439 1 44 LEU HB2 1 49 ARG H . . 5.400 4.351 2.868 5.089 . 0 0 "[ . 1 .]" 2
440 1 44 LEU HB3 1 49 ARG H . . 5.400 3.485 2.953 4.212 . 0 0 "[ . 1 .]" 2
441 1 44 LEU MD1 1 49 ARG H . . 6.800 4.507 3.900 5.869 . 0 0 "[ . 1 .]" 2
442 1 44 LEU MD2 1 49 ARG H . . 6.800 4.085 3.486 5.440 . 0 0 "[ . 1 .]" 2
443 1 49 ARG HA 1 50 PRO HD2 . . 2.800 2.356 2.052 2.831 0.031 4 0 "[ . 1 .]" 2
444 1 49 ARG HA 1 50 PRO HD3 . . 2.800 2.432 2.020 2.634 . 0 0 "[ . 1 .]" 2
445 1 49 ARG H 1 50 PRO HD2 . . 5.400 4.831 4.722 5.159 . 0 0 "[ . 1 .]" 2
446 1 49 ARG H 1 50 PRO HD3 . . 5.400 4.927 4.509 5.131 . 0 0 "[ . 1 .]" 2
447 1 50 PRO HA 1 51 SER H . . 2.400 2.140 2.091 2.202 . 0 0 "[ . 1 .]" 2
448 1 50 PRO HD2 1 51 SER H . . 6.000 5.667 5.496 5.757 . 0 0 "[ . 1 .]" 2
449 1 50 PRO HD3 1 51 SER H . . 6.000 5.448 5.271 5.696 . 0 0 "[ . 1 .]" 2
450 1 50 PRO HB2 1 51 SER H . . 4.400 3.642 3.488 4.013 . 0 0 "[ . 1 .]" 2
451 1 50 PRO HB3 1 51 SER H . . 4.400 3.822 3.571 4.006 . 0 0 "[ . 1 .]" 2
452 1 51 SER H 1 51 SER HA . . 2.800 2.825 2.796 2.853 0.053 12 0 "[ . 1 .]" 2
453 1 51 SER H 1 51 SER HB2 . . 4.400 2.554 2.449 3.472 . 0 0 "[ . 1 .]" 2
454 1 51 SER H 1 51 SER HB3 . . 4.400 3.400 2.373 3.572 . 0 0 "[ . 1 .]" 2
455 1 51 SER H 1 53 ASP H . . 4.000 3.636 3.173 3.985 . 0 0 "[ . 1 .]" 2
456 1 44 LEU HA 1 51 SER H . . 3.000 2.795 2.656 2.968 . 0 0 "[ . 1 .]" 2
457 1 51 SER HA 1 52 GLY H . . 3.600 3.344 3.152 3.496 . 0 0 "[ . 1 .]" 2
458 1 51 SER H 1 52 GLY H . . 2.800 2.517 2.333 2.697 . 0 0 "[ . 1 .]" 2
459 1 51 SER HB2 1 52 GLY H . . 5.400 3.333 2.726 4.172 . 0 0 "[ . 1 .]" 2
460 1 51 SER HB3 1 52 GLY H . . 5.400 4.095 3.155 4.425 . 0 0 "[ . 1 .]" 2
461 1 52 GLY H 1 52 GLY HA2 . . 2.800 2.440 2.328 2.565 . 0 0 "[ . 1 .]" 2
462 1 52 GLY H 1 52 GLY HA3 . . 3.000 2.946 2.899 2.973 . 0 0 "[ . 1 .]" 2
463 1 44 LEU HA 1 52 GLY H . . 5.200 5.079 4.821 5.240 0.040 6 0 "[ . 1 .]" 2
464 1 50 PRO HB2 1 52 GLY H . . 4.000 2.772 2.301 3.601 . 0 0 "[ . 1 .]" 2
465 1 50 PRO HB3 1 52 GLY H . . 4.000 3.690 3.210 4.023 0.023 9 0 "[ . 1 .]" 2
466 1 50 PRO HA 1 52 GLY H . . 3.600 3.504 3.309 3.610 0.010 3 0 "[ . 1 .]" 2
467 1 52 GLY HA2 1 53 ASP H . . 3.600 3.300 2.962 3.510 . 0 0 "[ . 1 .]" 2
468 1 52 GLY HA3 1 53 ASP H . . 3.600 3.160 2.933 3.435 . 0 0 "[ . 1 .]" 2
469 1 52 GLY H 1 53 ASP H . . 2.800 2.251 2.014 2.659 . 0 0 "[ . 1 .]" 2
470 1 53 ASP H 1 53 ASP HA . . 3.000 2.906 2.878 2.945 . 0 0 "[ . 1 .]" 2
471 1 53 ASP H 1 53 ASP HB3 . . 3.600 2.913 2.561 3.618 0.018 1 0 "[ . 1 .]" 2
472 1 53 ASP H 1 53 ASP HB2 . . 3.600 3.284 2.439 3.687 0.087 6 0 "[ . 1 .]" 2
473 1 51 SER HA 1 53 ASP H . . 4.800 4.601 4.253 4.800 . 11 0 "[ . 1 .]" 2
474 1 51 SER HB2 1 53 ASP H . . 5.200 3.067 2.593 4.122 . 0 0 "[ . 1 .]" 2
475 1 51 SER HB3 1 53 ASP H . . 5.200 4.113 2.471 4.736 . 0 0 "[ . 1 .]" 2
476 1 43 VAL HB 1 53 ASP H . . 4.000 3.462 2.946 3.814 . 0 0 "[ . 1 .]" 2
477 1 43 VAL MG1 1 53 ASP H . . 6.400 4.503 4.091 4.849 . 0 0 "[ . 1 .]" 2
478 1 43 VAL MG2 1 53 ASP H . . 6.400 4.486 4.130 4.909 . 0 0 "[ . 1 .]" 2
479 1 53 ASP HA 1 54 ALA H . . 2.400 2.289 2.222 2.368 . 0 0 "[ . 1 .]" 2
480 1 53 ASP H 1 54 ALA H . . 4.800 4.375 4.230 4.467 . 0 0 "[ . 1 .]" 2
481 1 53 ASP HB3 1 54 ALA H . . 5.000 3.756 2.990 4.096 . 0 0 "[ . 1 .]" 2
482 1 53 ASP HB2 1 54 ALA H . . 5.000 3.286 2.309 4.442 . 0 0 "[ . 1 .]" 2
483 1 54 ALA H 1 54 ALA HA . . 3.000 2.897 2.861 2.939 . 0 0 "[ . 1 .]" 2
484 1 12 LEU HA 1 54 ALA H . . 5.400 4.712 4.549 4.889 . 0 0 "[ . 1 .]" 2
485 1 12 LEU HB2 1 54 ALA H . . 5.000 3.127 2.692 3.397 . 0 0 "[ . 1 .]" 2
486 1 12 LEU HB3 1 54 ALA H . . 5.000 4.697 4.229 4.989 . 0 0 "[ . 1 .]" 2
487 1 13 ARG HA 1 54 ALA H . . 4.400 3.736 3.565 3.849 . 0 0 "[ . 1 .]" 2
488 1 11 ARG HA 1 54 ALA H . . 5.200 4.204 4.045 4.539 . 0 0 "[ . 1 .]" 2
489 1 42 MET HA 1 54 ALA H . . 5.200 4.883 4.747 5.113 . 0 0 "[ . 1 .]" 2
490 1 15 LEU MD1 1 54 ALA H . . 6.400 3.647 3.279 4.058 . 0 0 "[ . 1 .]" 2
491 1 15 LEU MD2 1 54 ALA H . . 6.400 4.845 4.068 5.466 . 0 0 "[ . 1 .]" 2
492 1 15 LEU HG 1 54 ALA H . . 5.000 4.336 3.992 4.687 . 0 0 "[ . 1 .]" 2
493 1 54 ALA HA 1 55 PHE H . . 2.400 2.339 2.229 2.434 0.034 13 0 "[ . 1 .]" 2
494 1 54 ALA H 1 55 PHE H . . 4.800 4.291 4.235 4.372 . 0 0 "[ . 1 .]" 2
495 1 54 ALA MB 1 55 PHE H . . 6.000 2.437 2.125 2.675 . 0 0 "[ . 1 .]" 2
496 1 55 PHE H 1 55 PHE HA . . 3.000 2.930 2.912 2.945 . 0 0 "[ . 1 .]" 2
497 1 55 PHE H 1 55 PHE HB2 . . 4.400 2.464 2.306 2.666 . 0 0 "[ . 1 .]" 2
498 1 55 PHE H 1 55 PHE HB3 . . 4.400 3.670 3.600 3.773 . 0 0 "[ . 1 .]" 2
499 1 42 MET HA 1 55 PHE H . . 4.000 3.087 2.656 3.353 . 0 0 "[ . 1 .]" 2
500 1 41 HIS HB2 1 55 PHE H . . 4.400 3.461 3.028 3.994 . 0 0 "[ . 1 .]" 2
501 1 41 HIS HB3 1 55 PHE H . . 4.400 4.339 4.092 4.451 0.051 5 0 "[ . 1 .]" 2
502 1 40 VAL HA 1 55 PHE H . . 5.200 4.904 4.392 5.163 . 0 0 "[ . 1 .]" 2
503 1 55 PHE HA 1 56 ILE H . . 2.400 2.144 2.092 2.199 . 0 0 "[ . 1 .]" 2
504 1 55 PHE H 1 56 ILE H . . 4.800 4.270 4.077 4.396 . 0 0 "[ . 1 .]" 2
505 1 55 PHE HB2 1 56 ILE H . . 4.400 4.077 3.790 4.269 . 0 0 "[ . 1 .]" 2
506 1 55 PHE HB3 1 56 ILE H . . 4.400 3.073 2.730 3.464 . 0 0 "[ . 1 .]" 2
507 1 56 ILE H 1 56 ILE HA . . 3.000 2.932 2.913 2.946 . 0 0 "[ . 1 .]" 2
508 1 56 ILE H 1 56 ILE HB . . 3.200 2.641 2.425 2.801 . 0 0 "[ . 1 .]" 2
509 1 56 ILE H 1 56 ILE QG . . 4.600 3.062 2.616 3.899 . 0 0 "[ . 1 .]" 2
510 1 10 ILE HA 1 56 ILE H . . 5.200 4.658 4.495 4.755 . 0 0 "[ . 1 .]" 2
511 1 11 ARG HA 1 56 ILE H . . 3.600 3.515 3.356 3.624 0.024 5 0 "[ . 1 .]" 2
512 1 56 ILE HA 1 57 GLN H . . 2.400 2.099 2.013 2.210 . 0 0 "[ . 1 .]" 2
513 1 56 ILE H 1 57 GLN H . . 4.800 4.200 4.067 4.334 . 0 0 "[ . 1 .]" 2
514 1 56 ILE HB 1 57 GLN H . . 4.000 4.063 3.941 4.123 0.123 8 0 "[ . 1 .]" 2
515 1 56 ILE HG13 1 57 GLN H . . 5.000 4.880 3.893 5.032 0.032 12 0 "[ . 1 .]" 2
516 1 56 ILE HG12 1 57 GLN H . . 5.000 4.394 4.199 5.055 0.055 10 0 "[ . 1 .]" 2
517 1 56 ILE MG 1 57 GLN H . . 5.400 2.578 2.408 2.738 . 0 0 "[ . 1 .]" 2
518 1 57 GLN H 1 57 GLN HA . . 3.000 2.931 2.921 2.947 . 0 0 "[ . 1 .]" 2
519 1 57 GLN H 1 57 GLN HB2 . . 3.000 2.874 2.624 3.010 0.010 11 0 "[ . 1 .]" 2
520 1 57 GLN H 1 57 GLN HB3 . . 3.000 2.643 2.416 2.830 . 0 0 "[ . 1 .]" 2
521 1 9 CYS HA 1 57 GLN H . . 5.200 4.723 4.493 4.871 . 0 0 "[ . 1 .]" 2
522 1 39 GLY HA2 1 57 GLN H . . 4.000 3.738 3.203 4.026 0.026 2 0 "[ . 1 .]" 2
523 1 39 GLY HA3 1 57 GLN H . . 4.000 2.915 2.555 3.259 . 0 0 "[ . 1 .]" 2
524 1 40 VAL HA 1 57 GLN H . . 3.600 3.503 3.171 3.630 0.030 13 0 "[ . 1 .]" 2
525 1 39 GLY H 1 57 GLN H . . 5.200 4.874 4.439 5.195 . 0 0 "[ . 1 .]" 2
526 1 40 VAL H 1 57 GLN H . . 5.200 4.441 4.035 4.824 . 0 0 "[ . 1 .]" 2
527 1 40 VAL MG1 1 57 GLN H . . 6.800 5.359 5.066 5.673 . 0 0 "[ . 1 .]" 2
528 1 40 VAL MG2 1 57 GLN H . . 6.800 4.960 4.050 5.409 . 0 0 "[ . 1 .]" 2
529 1 57 GLN HA 1 58 MET H . . 2.400 2.107 2.029 2.175 . 0 0 "[ . 1 .]" 2
530 1 57 GLN H 1 58 MET H . . 4.800 4.345 4.179 4.422 . 0 0 "[ . 1 .]" 2
531 1 57 GLN HB3 1 58 MET H . . 4.400 4.123 3.860 4.325 . 0 0 "[ . 1 .]" 2
532 1 57 GLN HB2 1 58 MET H . . 4.400 4.251 4.138 4.411 0.011 12 0 "[ . 1 .]" 2
533 1 57 GLN QG 1 58 MET H . . 5.800 2.812 2.411 3.253 . 0 0 "[ . 1 .]" 2
534 1 58 MET H 1 58 MET HA . . 3.000 2.941 2.905 2.971 . 0 0 "[ . 1 .]" 2
535 1 58 MET H 1 58 MET HB2 . . 4.000 2.414 2.206 2.618 . 0 0 "[ . 1 .]" 2
536 1 58 MET H 1 58 MET HB3 . . 4.000 3.515 2.823 3.731 . 0 0 "[ . 1 .]" 2
537 1 9 CYS HA 1 58 MET H . . 3.000 2.934 2.729 3.056 0.056 11 0 "[ . 1 .]" 2
538 1 8 ASP HA 1 58 MET H . . 5.200 4.321 4.067 4.819 . 0 0 "[ . 1 .]" 2
539 1 35 ILE HA 1 58 MET H . . 5.200 4.753 4.476 4.869 . 0 0 "[ . 1 .]" 2
540 1 56 ILE MG 1 58 MET H . . 6.800 3.962 3.620 4.343 . 0 0 "[ . 1 .]" 2
541 1 58 MET HA 1 59 LYS H . . 2.400 2.411 2.266 2.503 0.103 13 0 "[ . 1 .]" 2
542 1 58 MET H 1 59 LYS H . . 4.800 4.459 4.340 4.547 . 0 0 "[ . 1 .]" 2
543 1 58 MET HB2 1 59 LYS H . . 5.000 3.532 3.134 4.006 . 0 0 "[ . 1 .]" 2
544 1 58 MET HB3 1 59 LYS H . . 5.000 2.319 2.033 3.080 . 0 0 "[ . 1 .]" 2
545 1 58 MET QG 1 59 LYS H . . 5.800 3.486 2.086 4.147 . 0 0 "[ . 1 .]" 2
546 1 59 LYS H 1 59 LYS HA . . 3.000 2.814 2.721 2.916 . 0 0 "[ . 1 .]" 2
547 1 59 LYS H 1 59 LYS HB3 . . 3.200 2.863 2.351 3.426 0.226 11 0 "[ . 1 .]" 2
548 1 59 LYS H 1 59 LYS HB2 . . 3.200 2.226 2.030 2.535 . 0 0 "[ . 1 .]" 2
549 1 59 LYS H 1 59 LYS QD . . 5.800 4.182 3.330 4.840 . 0 0 "[ . 1 .]" 2
550 1 59 LYS HA 1 60 SER H . . 3.600 3.530 3.488 3.573 . 0 0 "[ . 1 .]" 2
551 1 59 LYS H 1 60 SER H . . 2.800 2.548 2.220 2.824 0.024 5 0 "[ . 1 .]" 2
552 1 59 LYS HB2 1 60 SER H . . 3.600 3.334 2.320 3.708 0.108 8 0 "[ . 1 .]" 2
553 1 59 LYS HB3 1 60 SER H . . 3.600 2.918 2.340 3.629 0.029 7 0 "[ . 1 .]" 2
554 1 59 LYS QG 1 60 SER H . . 5.800 4.145 3.612 4.700 . 0 0 "[ . 1 .]" 2
555 1 60 SER H 1 60 SER HA . . 2.800 2.870 2.842 2.892 0.092 12 0 "[ . 1 .]" 2
556 1 60 SER H 1 60 SER HB2 . . 4.400 3.010 2.473 3.857 . 0 0 "[ . 1 .]" 2
557 1 60 SER H 1 60 SER HB3 . . 4.400 3.437 2.590 3.965 . 0 0 "[ . 1 .]" 2
558 1 58 MET HA 1 60 SER H . . 4.400 4.350 4.154 4.494 0.094 12 0 "[ . 1 .]" 2
559 1 8 ASP HA 1 60 SER H . . 5.400 5.215 4.686 5.463 0.063 10 0 "[ . 1 .]" 2
560 1 8 ASP HB2 1 60 SER H . . 4.800 3.906 3.369 4.197 . 0 0 "[ . 1 .]" 2
561 1 8 ASP HB3 1 60 SER H . . 4.800 4.697 3.971 4.829 0.029 8 0 "[ . 1 .]" 2
562 1 60 SER H 1 62 ASP H . . 5.000 5.025 4.916 5.104 0.104 1 0 "[ . 1 .]" 2
563 1 60 SER HA 1 61 ALA H . . 2.400 2.281 2.183 2.417 0.017 5 0 "[ . 1 .]" 2
564 1 60 SER H 1 61 ALA H . . 4.800 4.328 4.241 4.399 . 0 0 "[ . 1 .]" 2
565 1 60 SER HB2 1 61 ALA H . . 4.400 3.657 2.405 4.015 . 0 0 "[ . 1 .]" 2
566 1 60 SER HB3 1 61 ALA H . . 4.400 3.227 2.381 3.924 . 0 0 "[ . 1 .]" 2
567 1 61 ALA H 1 61 ALA HA . . 3.000 2.822 2.787 2.861 . 0 0 "[ . 1 .]" 2
568 1 8 ASP HA 1 61 ALA H . . 5.800 4.216 3.743 4.547 . 0 0 "[ . 1 .]" 2
569 1 8 ASP HB2 1 61 ALA H . . 4.600 4.298 3.648 4.599 . 0 0 "[ . 1 .]" 2
570 1 8 ASP HB3 1 61 ALA H . . 4.600 3.301 2.888 3.586 . 0 0 "[ . 1 .]" 2
571 1 6 VAL MG2 1 61 ALA H . . 6.400 5.341 4.462 6.439 0.039 14 0 "[ . 1 .]" 2
572 1 61 ALA HA 1 62 ASP H . . 3.600 3.436 3.353 3.537 . 0 0 "[ . 1 .]" 2
573 1 61 ALA H 1 62 ASP H . . 3.000 2.541 2.388 2.701 . 0 0 "[ . 1 .]" 2
574 1 61 ALA MB 1 62 ASP H . . 6.000 2.716 2.466 2.963 . 0 0 "[ . 1 .]" 2
575 1 62 ASP H 1 62 ASP HA . . 2.800 2.816 2.777 2.844 0.044 1 0 "[ . 1 .]" 2
576 1 62 ASP H 1 64 ALA H . . 4.400 3.887 3.747 4.070 . 0 0 "[ . 1 .]" 2
577 1 60 SER HA 1 62 ASP H . . 5.200 4.047 3.653 4.444 . 0 0 "[ . 1 .]" 2
578 1 60 SER HB2 1 62 ASP H . . 5.400 3.617 2.712 4.565 . 0 0 "[ . 1 .]" 2
579 1 60 SER HB3 1 62 ASP H . . 5.400 3.244 2.423 4.534 . 0 0 "[ . 1 .]" 2
580 1 62 ASP HA 1 63 ARG H . . 3.600 3.443 3.386 3.529 . 0 0 "[ . 1 .]" 2
581 1 62 ASP H 1 63 ARG H . . 2.800 2.581 2.334 2.805 0.005 7 0 "[ . 1 .]" 2
582 1 62 ASP HB2 1 63 ARG H . . 3.600 3.139 2.132 3.677 0.077 8 0 "[ . 1 .]" 2
583 1 62 ASP HB3 1 63 ARG H . . 3.600 3.230 2.258 3.759 0.159 15 0 "[ . 1 .]" 2
584 1 63 ARG H 1 63 ARG HA . . 2.800 2.826 2.802 2.853 0.053 14 0 "[ . 1 .]" 2
585 1 63 ARG H 1 63 ARG HB2 . . 4.000 2.390 2.145 2.554 . 0 0 "[ . 1 .]" 2
586 1 63 ARG H 1 63 ARG HB3 . . 4.000 3.524 2.562 3.716 . 0 0 "[ . 1 .]" 2
587 1 63 ARG H 1 63 ARG HG2 . . 4.400 3.626 1.946 4.445 0.045 12 0 "[ . 1 .]" 2
588 1 63 ARG H 1 63 ARG HG3 . . 4.400 3.666 2.328 4.421 0.021 12 0 "[ . 1 .]" 2
589 1 61 ALA HA 1 63 ARG H . . 4.400 4.408 4.266 4.482 0.082 3 0 "[ . 1 .]" 2
590 1 63 ARG H 1 65 PHE H . . 4.400 4.086 3.965 4.225 . 0 0 "[ . 1 .]" 2
591 1 63 ARG HA 1 64 ALA H . . 3.600 3.480 3.410 3.548 . 0 0 "[ . 1 .]" 2
592 1 63 ARG H 1 64 ALA H . . 2.800 2.548 2.386 2.806 0.006 5 0 "[ . 1 .]" 2
593 1 63 ARG HB2 1 64 ALA H . . 3.600 2.852 2.463 3.621 0.021 12 0 "[ . 1 .]" 2
594 1 63 ARG HB3 1 64 ALA H . . 3.600 3.469 2.492 3.659 0.059 7 0 "[ . 1 .]" 2
595 1 64 ALA H 1 64 ALA HA . . 2.800 2.807 2.780 2.828 0.028 4 0 "[ . 1 .]" 2
596 1 61 ALA HA 1 64 ALA H . . 3.600 3.335 3.164 3.598 . 0 0 "[ . 1 .]" 2
597 1 62 ASP HA 1 64 ALA H . . 4.400 4.388 4.273 4.451 0.051 9 0 "[ . 1 .]" 2
598 1 64 ALA H 1 66 MET H . . 4.200 4.082 3.923 4.187 . 0 0 "[ . 1 .]" 2
599 1 8 ASP HA 1 64 ALA H . . 5.000 4.232 3.897 4.719 . 0 0 "[ . 1 .]" 2
600 1 64 ALA HA 1 65 PHE H . . 3.600 3.528 3.481 3.578 . 0 0 "[ . 1 .]" 2
601 1 64 ALA H 1 65 PHE H . . 2.800 2.659 2.569 2.769 . 0 0 "[ . 1 .]" 2
602 1 64 ALA MB 1 65 PHE H . . 5.800 2.514 2.398 2.621 . 0 0 "[ . 1 .]" 2
603 1 65 PHE H 1 65 PHE HA . . 2.800 2.810 2.792 2.829 0.029 7 0 "[ . 1 .]" 2
604 1 65 PHE H 1 65 PHE HB2 . . 2.800 2.541 2.473 2.676 . 0 0 "[ . 1 .]" 2
605 1 65 PHE H 1 65 PHE HB3 . . 2.800 2.515 2.426 2.579 . 0 0 "[ . 1 .]" 2
606 1 61 ALA HA 1 65 PHE H . . 4.600 3.932 3.764 4.232 . 0 0 "[ . 1 .]" 2
607 1 62 ASP HA 1 65 PHE H . . 3.600 3.564 3.287 3.686 0.086 2 0 "[ . 1 .]" 2
608 1 63 ARG HA 1 65 PHE H . . 4.400 4.355 4.197 4.454 0.054 6 0 "[ . 1 .]" 2
609 1 65 PHE H 1 67 ALA H . . 4.200 4.076 4.009 4.152 . 0 0 "[ . 1 .]" 2
610 1 65 PHE HA 1 66 MET H . . 3.600 3.513 3.481 3.552 . 0 0 "[ . 1 .]" 2
611 1 65 PHE H 1 66 MET H . . 2.800 2.623 2.495 2.706 . 0 0 "[ . 1 .]" 2
612 1 65 PHE HB2 1 66 MET H . . 4.000 3.891 3.821 3.969 . 0 0 "[ . 1 .]" 2
613 1 65 PHE HB3 1 66 MET H . . 4.000 2.637 2.548 2.736 . 0 0 "[ . 1 .]" 2
614 1 66 MET H 1 66 MET HA . . 2.800 2.823 2.804 2.845 0.045 9 0 "[ . 1 .]" 2
615 1 63 ARG HA 1 66 MET H . . 3.500 3.371 3.000 3.586 0.086 9 0 "[ . 1 .]" 2
616 1 62 ASP HA 1 66 MET H . . 4.400 4.210 3.987 4.397 . 0 0 "[ . 1 .]" 2
617 1 64 ALA HA 1 66 MET H . . 4.400 4.417 4.332 4.449 0.049 2 0 "[ . 1 .]" 2
618 1 66 MET H 1 68 ALA H . . 4.200 4.042 3.980 4.104 . 0 0 "[ . 1 .]" 2
619 1 66 MET HA 1 67 ALA H . . 3.600 3.517 3.489 3.565 . 0 0 "[ . 1 .]" 2
620 1 66 MET H 1 67 ALA H . . 2.800 2.588 2.468 2.696 . 0 0 "[ . 1 .]" 2
621 1 66 MET QB 1 67 ALA H . . 4.600 2.653 2.443 2.801 . 0 0 "[ . 1 .]" 2
622 1 66 MET QG 1 67 ALA H . . 5.800 3.900 3.624 4.231 . 0 0 "[ . 1 .]" 2
623 1 67 ALA H 1 67 ALA HA . . 2.800 2.812 2.796 2.820 0.020 8 0 "[ . 1 .]" 2
624 1 64 ALA HA 1 67 ALA H . . 3.500 3.477 3.359 3.540 0.040 8 0 "[ . 1 .]" 2
625 1 63 ARG HA 1 67 ALA H . . 4.200 3.950 3.647 4.213 0.013 12 0 "[ . 1 .]" 2
626 1 65 PHE HA 1 67 ALA H . . 4.400 4.413 4.398 4.422 0.022 11 0 "[ . 1 .]" 2
627 1 67 ALA H 1 69 GLN H . . 4.200 4.009 3.817 4.086 . 0 0 "[ . 1 .]" 2
628 1 67 ALA HA 1 68 ALA H . . 3.600 3.526 3.485 3.545 . 0 0 "[ . 1 .]" 2
629 1 67 ALA H 1 68 ALA H . . 2.800 2.605 2.513 2.674 . 0 0 "[ . 1 .]" 2
630 1 67 ALA MB 1 68 ALA H . . 6.400 2.546 2.462 2.626 . 0 0 "[ . 1 .]" 2
631 1 68 ALA H 1 68 ALA HA . . 2.800 2.826 2.815 2.841 0.041 12 0 "[ . 1 .]" 2
632 1 65 PHE HA 1 68 ALA H . . 3.500 3.456 3.297 3.544 0.044 4 0 "[ . 1 .]" 2
633 1 64 ALA HA 1 68 ALA H . . 4.200 3.997 3.851 4.166 . 0 0 "[ . 1 .]" 2
634 1 66 MET HA 1 68 ALA H . . 4.400 4.362 4.253 4.447 0.047 12 0 "[ . 1 .]" 2
635 1 68 ALA H 1 70 LYS H . . 4.200 4.093 4.002 4.145 . 0 0 "[ . 1 .]" 2
636 1 68 ALA HA 1 69 GLN H . . 3.600 3.473 3.410 3.524 . 0 0 "[ . 1 .]" 2
637 1 68 ALA H 1 69 GLN H . . 2.800 2.579 2.514 2.636 . 0 0 "[ . 1 .]" 2
638 1 68 ALA MB 1 69 GLN H . . 6.400 2.677 2.564 2.933 . 0 0 "[ . 1 .]" 2
639 1 69 GLN H 1 69 GLN HA . . 2.800 2.828 2.806 2.866 0.066 7 0 "[ . 1 .]" 2
640 1 69 GLN H 1 69 GLN QG . . 4.600 3.997 3.952 4.067 . 0 0 "[ . 1 .]" 2
641 1 66 MET HA 1 69 GLN H . . 3.500 3.370 3.199 3.502 0.002 12 0 "[ . 1 .]" 2
642 1 65 PHE HA 1 69 GLN H . . 4.200 4.071 3.894 4.211 0.011 7 0 "[ . 1 .]" 2
643 1 67 ALA HA 1 69 GLN H . . 4.400 4.319 4.127 4.415 0.015 13 0 "[ . 1 .]" 2
644 1 69 GLN H 1 71 CYS H . . 4.200 3.986 3.813 4.147 . 0 0 "[ . 1 .]" 2
645 1 69 GLN HA 1 70 LYS H . . 3.600 3.503 3.472 3.523 . 0 0 "[ . 1 .]" 2
646 1 69 GLN H 1 70 LYS H . . 2.800 2.548 2.327 2.653 . 0 0 "[ . 1 .]" 2
647 1 69 GLN QB 1 70 LYS H . . 4.600 2.562 2.393 2.700 . 0 0 "[ . 1 .]" 2
648 1 69 GLN QG 1 70 LYS H . . 5.000 3.840 3.546 4.310 . 0 0 "[ . 1 .]" 2
649 1 70 LYS H 1 70 LYS HA . . 2.800 2.814 2.790 2.838 0.038 12 0 "[ . 1 .]" 2
650 1 70 LYS H 1 70 LYS QD . . 5.800 4.335 3.905 4.759 . 0 0 "[ . 1 .]" 2
651 1 67 ALA HA 1 70 LYS H . . 3.500 3.463 3.311 3.523 0.023 9 0 "[ . 1 .]" 2
652 1 66 MET HA 1 70 LYS H . . 4.200 3.982 3.859 4.132 . 0 0 "[ . 1 .]" 2
653 1 68 ALA HA 1 70 LYS H . . 4.400 4.396 4.172 4.430 0.030 2 0 "[ . 1 .]" 2
654 1 70 LYS H 1 72 HIS H . . 4.200 4.018 3.861 4.189 . 0 0 "[ . 1 .]" 2
655 1 70 LYS HA 1 71 CYS H . . 3.600 3.523 3.478 3.547 . 0 0 "[ . 1 .]" 2
656 1 70 LYS H 1 71 CYS H . . 2.800 2.611 2.477 2.743 . 0 0 "[ . 1 .]" 2
657 1 70 LYS QB 1 71 CYS H . . 4.600 2.639 2.418 2.959 . 0 0 "[ . 1 .]" 2
658 1 70 LYS QG 1 71 CYS H . . 6.400 3.748 3.506 4.104 . 0 0 "[ . 1 .]" 2
659 1 71 CYS H 1 71 CYS HA . . 2.800 2.873 2.855 2.899 0.099 4 0 "[ . 1 .]" 2
660 1 68 ALA HA 1 71 CYS H . . 3.500 3.406 3.265 3.543 0.043 7 0 "[ . 1 .]" 2
661 1 67 ALA HA 1 71 CYS H . . 4.200 3.991 3.658 4.210 0.010 14 0 "[ . 1 .]" 2
662 1 69 GLN HA 1 71 CYS H . . 4.400 4.366 4.220 4.436 0.036 15 0 "[ . 1 .]" 2
663 1 71 CYS HA 1 72 HIS H . . 3.600 3.190 3.063 3.253 . 0 0 "[ . 1 .]" 2
664 1 71 CYS H 1 72 HIS H . . 2.800 2.543 2.472 2.663 . 0 0 "[ . 1 .]" 2
665 1 71 CYS HB2 1 72 HIS H . . 5.000 3.853 3.657 4.011 . 0 0 "[ . 1 .]" 2
666 1 71 CYS HB3 1 72 HIS H . . 5.000 4.465 4.396 4.519 . 0 0 "[ . 1 .]" 2
667 1 72 HIS H 1 72 HIS HA . . 2.800 2.815 2.802 2.836 0.036 15 0 "[ . 1 .]" 2
668 1 72 HIS H 1 72 HIS HB3 . . 2.800 2.655 2.556 2.735 . 0 0 "[ . 1 .]" 2
669 1 72 HIS H 1 72 HIS HB2 . . 2.800 2.499 2.443 2.546 . 0 0 "[ . 1 .]" 2
670 1 69 GLN HA 1 72 HIS H . . 3.500 3.557 3.507 3.604 0.104 10 0 "[ . 1 .]" 2
671 1 68 ALA HA 1 72 HIS H . . 4.200 4.241 4.208 4.288 0.088 14 0 "[ . 1 .]" 2
672 1 70 LYS HA 1 72 HIS H . . 4.400 4.115 3.807 4.401 0.001 8 0 "[ . 1 .]" 2
673 1 72 HIS H 1 83 VAL H . . 5.000 4.567 4.199 4.816 . 0 0 "[ . 1 .]" 2
674 1 72 HIS HA 1 73 LYS H . . 2.400 2.139 2.078 2.193 . 0 0 "[ . 1 .]" 2
675 1 72 HIS H 1 73 LYS H . . 4.800 4.195 4.043 4.365 . 0 0 "[ . 1 .]" 2
676 1 72 HIS HB3 1 73 LYS H . . 5.200 4.377 4.316 4.438 . 0 0 "[ . 1 .]" 2
677 1 72 HIS HB2 1 73 LYS H . . 5.200 4.500 4.420 4.550 . 0 0 "[ . 1 .]" 2
678 1 73 LYS H 1 73 LYS HA . . 2.400 2.213 2.147 2.264 . 0 0 "[ . 1 .]" 2
679 1 73 LYS H 1 73 LYS QG . . 5.000 3.814 2.830 4.219 . 0 0 "[ . 1 .]" 2
680 1 73 LYS H 1 81 VAL H . . 5.800 5.163 4.737 5.595 . 0 0 "[ . 1 .]" 2
681 1 73 LYS H 1 82 GLU H . . 6.000 4.670 4.385 5.024 . 0 0 "[ . 1 .]" 2
682 1 73 LYS H 1 82 GLU HA . . 3.400 1.976 1.787 2.361 . 0 0 "[ . 1 .]" 2
683 1 73 LYS H 1 83 VAL H . . 3.600 2.281 1.966 2.772 . 0 0 "[ . 1 .]" 2
684 1 73 LYS HA 1 74 LYS H . . 3.600 2.544 2.165 2.959 . 0 0 "[ . 1 .]" 2
685 1 73 LYS H 1 74 LYS H . . 2.800 2.546 2.269 2.831 0.031 12 0 "[ . 1 .]" 2
686 1 73 LYS HB3 1 74 LYS H . . 4.400 4.281 3.955 4.403 0.003 4 0 "[ . 1 .]" 2
687 1 73 LYS HB2 1 74 LYS H . . 4.400 4.373 3.997 4.473 0.073 5 0 "[ . 1 .]" 2
688 1 73 LYS QG 1 74 LYS H . . 5.800 4.259 3.851 4.672 . 0 0 "[ . 1 .]" 2
689 1 74 LYS H 1 74 LYS HA . . 2.800 2.870 2.843 2.891 0.091 1 0 "[ . 1 .]" 2
690 1 74 LYS H 1 74 LYS HB2 . . 2.800 2.736 2.526 2.854 0.054 6 0 "[ . 1 .]" 2
691 1 74 LYS H 1 74 LYS HB3 . . 2.800 2.392 2.310 2.515 . 0 0 "[ . 1 .]" 2
692 1 71 CYS HA 1 74 LYS H . . 4.000 3.797 3.333 4.069 0.069 4 0 "[ . 1 .]" 2
693 1 74 LYS H 1 81 VAL H . . 4.400 3.638 3.060 4.253 . 0 0 "[ . 1 .]" 2
694 1 74 LYS H 1 83 VAL H . . 5.000 4.050 3.734 4.445 . 0 0 "[ . 1 .]" 2
695 1 74 LYS HA 1 75 ASN H . . 2.400 2.236 2.139 2.342 . 0 0 "[ . 1 .]" 2
696 1 74 LYS H 1 75 ASN H . . 4.800 4.467 4.332 4.575 . 0 0 "[ . 1 .]" 2
697 1 74 LYS HB2 1 75 ASN H . . 4.000 4.027 3.948 4.068 0.068 8 0 "[ . 1 .]" 2
698 1 74 LYS HB3 1 75 ASN H . . 4.000 3.983 3.865 4.053 0.053 5 0 "[ . 1 .]" 2
699 1 74 LYS QG 1 75 ASN H . . 5.800 2.660 2.342 2.931 . 0 0 "[ . 1 .]" 2
700 1 75 ASN H 1 75 ASN HA . . 3.000 2.883 2.840 2.911 . 0 0 "[ . 1 .]" 2
701 1 75 ASN HA 1 76 MET H . . 2.400 2.105 2.007 2.170 . 0 0 "[ . 1 .]" 2
702 1 75 ASN H 1 76 MET H . . 4.800 4.456 4.300 4.577 . 0 0 "[ . 1 .]" 2
703 1 75 ASN QB 1 76 MET H . . 4.600 3.020 2.544 3.367 . 0 0 "[ . 1 .]" 2
704 1 76 MET H 1 76 MET HA . . 3.000 2.917 2.895 2.940 . 0 0 "[ . 1 .]" 2
705 1 76 MET H 1 81 VAL H . . 4.000 3.653 3.322 4.016 0.016 11 0 "[ . 1 .]" 2
706 1 76 MET H 1 79 ARG H . . 3.200 3.229 3.119 3.298 0.098 6 0 "[ . 1 .]" 2
707 1 76 MET H 1 80 TYR HA . . 3.400 3.094 2.855 3.420 0.020 11 0 "[ . 1 .]" 2
708 1 76 MET HA 1 77 LYS H . . 2.400 2.135 2.077 2.228 . 0 0 "[ . 1 .]" 2
709 1 76 MET H 1 77 LYS H . . 4.800 3.836 3.571 4.158 . 0 0 "[ . 1 .]" 2
710 1 76 MET QB 1 77 LYS H . . 5.000 3.925 3.841 3.973 . 0 0 "[ . 1 .]" 2
711 1 76 MET QG 1 77 LYS H . . 5.800 3.486 3.048 3.918 . 0 0 "[ . 1 .]" 2
712 1 77 LYS H 1 77 LYS HA . . 2.600 2.229 2.189 2.259 . 0 0 "[ . 1 .]" 2
713 1 77 LYS HA 1 78 ASP H . . 3.400 3.456 3.437 3.475 0.075 5 0 "[ . 1 .]" 2
714 1 77 LYS H 1 78 ASP H . . 4.000 3.940 3.746 4.023 0.023 15 0 "[ . 1 .]" 2
715 1 77 LYS HB2 1 78 ASP H . . 2.800 2.033 1.794 2.907 0.107 7 0 "[ . 1 .]" 2
716 1 77 LYS HB3 1 78 ASP H . . 2.800 2.693 1.925 2.851 0.051 6 0 "[ . 1 .]" 2
717 1 77 LYS QG 1 78 ASP H . . 5.800 3.877 3.608 4.154 . 0 0 "[ . 1 .]" 2
718 1 78 ASP H 1 78 ASP HA . . 2.800 2.901 2.885 2.916 0.116 9 0 "[ . 1 .]" 2
719 1 78 ASP H 1 78 ASP HB2 . . 4.400 3.038 2.700 3.360 . 0 0 "[ . 1 .]" 2
720 1 78 ASP H 1 78 ASP HB3 . . 4.400 3.068 2.335 3.856 . 0 0 "[ . 1 .]" 2
721 1 76 MET HA 1 78 ASP H . . 5.000 4.947 4.683 5.033 0.033 15 0 "[ . 1 .]" 2
722 1 78 ASP HA 1 79 ARG H . . 3.200 3.266 3.173 3.354 0.154 14 0 "[ . 1 .]" 2
723 1 78 ASP H 1 79 ARG H . . 2.800 1.862 1.741 2.142 . 0 0 "[ . 1 .]" 2
724 1 78 ASP HB2 1 79 ARG H . . 4.400 4.051 3.375 4.367 . 0 0 "[ . 1 .]" 2
725 1 78 ASP HB3 1 79 ARG H . . 4.400 3.637 2.916 4.362 . 0 0 "[ . 1 .]" 2
726 1 79 ARG H 1 79 ARG HA . . 3.000 2.940 2.921 2.971 . 0 0 "[ . 1 .]" 2
727 1 79 ARG H 1 79 ARG HB2 . . 2.800 2.752 2.516 2.867 0.067 10 0 "[ . 1 .]" 2
728 1 79 ARG H 1 79 ARG HB3 . . 2.800 2.542 2.322 2.831 0.031 7 0 "[ . 1 .]" 2
729 1 75 ASN HA 1 79 ARG H . . 5.000 4.669 4.167 4.932 . 0 0 "[ . 1 .]" 2
730 1 75 ASN QB 1 79 ARG H . . 6.000 4.274 3.302 4.720 . 0 0 "[ . 1 .]" 2
731 1 76 MET HA 1 79 ARG H . . 5.400 4.861 4.704 5.082 . 0 0 "[ . 1 .]" 2
732 1 77 LYS HA 1 79 ARG H . . 5.800 4.808 4.648 5.005 . 0 0 "[ . 1 .]" 2
733 1 79 ARG HA 1 80 TYR H . . 2.400 2.310 2.056 2.431 0.031 13 0 "[ . 1 .]" 2
734 1 79 ARG H 1 80 TYR H . . 4.800 4.449 4.348 4.563 . 0 0 "[ . 1 .]" 2
735 1 79 ARG HB2 1 80 TYR H . . 4.000 4.040 4.002 4.103 0.103 7 0 "[ . 1 .]" 2
736 1 79 ARG HB3 1 80 TYR H . . 3.600 3.655 3.573 3.797 0.197 11 0 "[ . 1 .]" 2
737 1 79 ARG QG 1 80 TYR H . . 5.800 2.340 2.041 2.847 . 0 0 "[ . 1 .]" 2
738 1 80 TYR H 1 80 TYR HA . . 3.000 2.912 2.882 2.935 . 0 0 "[ . 1 .]" 2
739 1 80 TYR H 1 80 TYR HB3 . . 3.600 3.553 2.949 3.701 0.101 8 0 "[ . 1 .]" 2
740 1 80 TYR H 1 80 TYR HB2 . . 3.600 2.748 2.395 3.712 0.112 3 0 "[ . 1 .]" 2
741 1 80 TYR HA 1 81 VAL H . . 2.200 2.076 1.989 2.199 . 0 0 "[ . 1 .]" 2
742 1 80 TYR H 1 81 VAL H . . 4.800 4.280 4.135 4.473 . 0 0 "[ . 1 .]" 2
743 1 80 TYR HB3 1 81 VAL H . . 4.000 3.441 3.085 4.043 0.043 11 0 "[ . 1 .]" 2
744 1 80 TYR HB2 1 81 VAL H . . 4.000 3.932 3.119 4.147 0.147 2 0 "[ . 1 .]" 2
745 1 81 VAL H 1 81 VAL HA . . 3.000 2.912 2.885 2.930 . 0 0 "[ . 1 .]" 2
746 1 81 VAL H 1 81 VAL HB . . 2.400 2.461 2.441 2.476 0.076 12 0 "[ . 1 .]" 2
747 1 75 ASN HA 1 81 VAL H . . 3.600 3.139 2.665 3.543 . 0 0 "[ . 1 .]" 2
748 1 73 LYS HA 1 81 VAL H . . 5.000 3.981 3.526 4.458 . 0 0 "[ . 1 .]" 2
749 1 81 VAL HA 1 82 GLU H . . 2.400 2.106 2.024 2.193 . 0 0 "[ . 1 .]" 2
750 1 81 VAL H 1 82 GLU H . . 4.800 4.232 4.132 4.394 . 0 0 "[ . 1 .]" 2
751 1 81 VAL HB 1 82 GLU H . . 5.000 4.205 4.071 4.251 . 0 0 "[ . 1 .]" 2
752 1 81 VAL MG1 1 82 GLU H . . 6.800 2.881 2.553 3.073 . 0 0 "[ . 1 .]" 2
753 1 81 VAL MG2 1 82 GLU H . . 5.400 4.080 3.860 4.171 . 0 0 "[ . 1 .]" 2
754 1 82 GLU H 1 82 GLU HA . . 3.000 2.904 2.874 2.918 . 0 0 "[ . 1 .]" 2
755 1 12 LEU HA 1 82 GLU H . . 5.200 4.942 4.629 5.206 0.006 6 0 "[ . 1 .]" 2
756 1 13 ARG HA 1 82 GLU H . . 5.200 4.857 4.685 5.027 . 0 0 "[ . 1 .]" 2
757 1 14 GLY HA2 1 82 GLU H . . 6.000 4.990 4.644 5.178 . 0 0 "[ . 1 .]" 2
758 1 14 GLY HA3 1 82 GLU H . . 6.000 3.352 2.945 3.568 . 0 0 "[ . 1 .]" 2
759 1 82 GLU HA 1 83 VAL H . . 2.200 2.133 2.014 2.212 0.012 10 0 "[ . 1 .]" 2
760 1 82 GLU H 1 83 VAL H . . 4.800 4.235 4.118 4.307 . 0 0 "[ . 1 .]" 2
761 1 82 GLU QB 1 83 VAL H . . 5.000 3.656 3.349 3.970 . 0 0 "[ . 1 .]" 2
762 1 82 GLU QG 1 83 VAL H . . 5.800 3.802 3.090 4.388 . 0 0 "[ . 1 .]" 2
763 1 83 VAL H 1 83 VAL HA . . 3.000 2.900 2.889 2.910 . 0 0 "[ . 1 .]" 2
764 1 83 VAL H 1 83 VAL HB . . 2.800 2.382 2.299 2.452 . 0 0 "[ . 1 .]" 2
765 1 72 HIS HA 1 83 VAL H . . 2.800 2.300 1.859 2.809 0.009 7 0 "[ . 1 .]" 2
766 1 83 VAL HA 1 84 PHE H . . 2.400 2.162 2.123 2.288 . 0 0 "[ . 1 .]" 2
767 1 83 VAL H 1 84 PHE H . . 4.800 4.369 4.211 4.443 . 0 0 "[ . 1 .]" 2
768 1 83 VAL HB 1 84 PHE H . . 5.000 4.260 4.118 4.405 . 0 0 "[ . 1 .]" 2
769 1 83 VAL MG1 1 84 PHE H . . 6.800 2.796 2.503 3.218 . 0 0 "[ . 1 .]" 2
770 1 83 VAL MG2 1 84 PHE H . . 5.400 3.985 3.828 4.299 . 0 0 "[ . 1 .]" 2
771 1 84 PHE H 1 84 PHE HA . . 3.000 2.953 2.934 2.969 . 0 0 "[ . 1 .]" 2
772 1 84 PHE H 1 84 PHE HB3 . . 4.000 3.396 2.512 3.780 . 0 0 "[ . 1 .]" 2
773 1 84 PHE H 1 84 PHE HB2 . . 4.000 2.700 2.539 2.937 . 0 0 "[ . 1 .]" 2
774 1 12 LEU HA 1 84 PHE H . . 3.600 3.440 3.202 3.611 0.011 2 0 "[ . 1 .]" 2
775 1 11 ARG HA 1 84 PHE H . . 5.000 4.792 4.671 4.912 . 0 0 "[ . 1 .]" 2
776 1 68 ALA MB 1 84 PHE H . . 6.400 4.109 3.812 4.550 . 0 0 "[ . 1 .]" 2
777 1 84 PHE HA 1 85 GLN H . . 2.400 2.300 2.194 2.404 0.004 5 0 "[ . 1 .]" 2
778 1 84 PHE H 1 85 GLN H . . 4.800 4.398 4.294 4.449 . 0 0 "[ . 1 .]" 2
779 1 84 PHE HB2 1 85 GLN H . . 4.400 3.980 3.605 4.399 . 0 0 "[ . 1 .]" 2
780 1 84 PHE HB3 1 85 GLN H . . 4.400 3.164 2.429 4.155 . 0 0 "[ . 1 .]" 2
781 1 85 GLN H 1 85 GLN HA . . 3.000 2.915 2.853 2.957 . 0 0 "[ . 1 .]" 2
782 1 85 GLN H 1 85 GLN HB3 . . 2.800 2.469 2.384 2.659 . 0 0 "[ . 1 .]" 2
783 1 85 GLN H 1 85 GLN HB2 . . 2.800 2.702 2.357 2.841 0.041 9 0 "[ . 1 .]" 2
784 1 10 ILE HA 1 85 GLN H . . 5.200 4.810 4.427 4.939 . 0 0 "[ . 1 .]" 2
785 1 68 ALA MB 1 85 GLN H . . 6.000 2.910 2.120 3.335 . 0 0 "[ . 1 .]" 2
786 1 85 GLN HA 1 86 CYS H . . 2.400 2.282 2.074 2.402 0.002 6 0 "[ . 1 .]" 2
787 1 85 GLN H 1 86 CYS H . . 4.800 4.537 4.365 4.622 . 0 0 "[ . 1 .]" 2
788 1 85 GLN HB2 1 86 CYS H . . 4.000 4.003 3.829 4.197 0.197 10 0 "[ . 1 .]" 2
789 1 85 GLN HB3 1 86 CYS H . . 4.000 3.849 3.590 4.041 0.041 14 0 "[ . 1 .]" 2
790 1 86 CYS H 1 86 CYS HA . . 3.000 2.881 2.830 2.952 . 0 0 "[ . 1 .]" 2
791 1 85 GLN HE21 1 86 CYS H . . 5.400 3.738 2.177 5.407 0.007 8 0 "[ . 1 .]" 2
792 1 85 GLN HE22 1 86 CYS H . . 5.400 4.930 3.075 5.553 0.153 2 0 "[ . 1 .]" 2
793 1 10 ILE HA 1 86 CYS H . . 3.600 3.030 2.511 3.387 . 0 0 "[ . 1 .]" 2
794 1 10 ILE MG 1 86 CYS H . . 6.400 4.218 3.836 4.687 . 0 0 "[ . 1 .]" 2
795 1 9 CYS HA 1 86 CYS H . . 5.000 4.872 4.727 5.028 0.028 2 0 "[ . 1 .]" 2
796 1 86 CYS HA 1 87 SER H . . 2.400 2.387 2.237 2.442 0.042 9 0 "[ . 1 .]" 2
797 1 86 CYS H 1 87 SER H . . 4.800 4.307 4.205 4.425 . 0 0 "[ . 1 .]" 2
798 1 86 CYS HB2 1 87 SER H . . 3.400 2.768 2.112 3.440 0.040 11 0 "[ . 1 .]" 2
799 1 86 CYS HB3 1 87 SER H . . 3.400 2.901 2.098 3.469 0.069 2 0 "[ . 1 .]" 2
800 1 87 SER H 1 87 SER HA . . 3.000 2.928 2.890 2.960 . 0 0 "[ . 1 .]" 2
801 1 87 SER H 1 87 SER HB2 . . 4.000 3.064 2.451 3.682 . 0 0 "[ . 1 .]" 2
802 1 87 SER H 1 87 SER HB3 . . 4.000 3.026 2.405 3.659 . 0 0 "[ . 1 .]" 2
803 1 87 SER H 1 90 GLU H . . 5.000 3.687 3.222 4.360 . 0 0 "[ . 1 .]" 2
804 1 87 SER H 1 90 GLU QB . . 5.400 2.676 1.877 3.840 . 0 0 "[ . 1 .]" 2
805 1 87 SER H 1 91 MET H . . 5.000 4.356 3.860 4.857 . 0 0 "[ . 1 .]" 2
806 1 87 SER HA 1 88 ALA H . . 2.400 2.243 2.155 2.332 . 0 0 "[ . 1 .]" 2
807 1 87 SER H 1 88 ALA H . . 4.800 4.515 4.394 4.586 . 0 0 "[ . 1 .]" 2
808 1 87 SER HB2 1 88 ALA H . . 4.000 3.295 2.491 3.999 . 0 0 "[ . 1 .]" 2
809 1 87 SER HB3 1 88 ALA H . . 4.000 3.434 2.458 3.970 . 0 0 "[ . 1 .]" 2
810 1 88 ALA H 1 88 ALA HA . . 2.800 2.787 2.738 2.814 0.014 10 0 "[ . 1 .]" 2
811 1 88 ALA H 1 90 GLU H . . 5.000 4.359 3.994 4.704 . 0 0 "[ . 1 .]" 2
812 1 7 ARG HA 1 88 ALA H . . 3.400 3.341 2.646 3.514 0.114 2 0 "[ . 1 .]" 2
813 1 88 ALA HA 1 89 GLU H . . 3.600 3.462 3.407 3.526 . 0 0 "[ . 1 .]" 2
814 1 88 ALA H 1 89 GLU H . . 2.800 2.696 2.512 2.826 0.026 13 0 "[ . 1 .]" 2
815 1 88 ALA MB 1 89 GLU H . . 6.400 2.743 2.536 2.983 . 0 0 "[ . 1 .]" 2
816 1 89 GLU H 1 89 GLU HA . . 2.800 2.815 2.797 2.840 0.040 10 0 "[ . 1 .]" 2
817 1 89 GLU H 1 89 GLU HB2 . . 3.000 2.492 2.372 2.602 . 0 0 "[ . 1 .]" 2
818 1 89 GLU H 1 89 GLU HB3 . . 3.000 2.502 2.299 2.610 . 0 0 "[ . 1 .]" 2
819 1 87 SER HA 1 89 GLU H . . 4.400 4.031 3.702 4.416 0.016 7 0 "[ . 1 .]" 2
820 1 87 SER HB2 1 89 GLU H . . 5.000 3.182 2.374 4.755 . 0 0 "[ . 1 .]" 2
821 1 87 SER HB3 1 89 GLU H . . 5.000 3.537 2.699 4.612 . 0 0 "[ . 1 .]" 2
822 1 89 GLU H 1 91 MET H . . 4.400 3.946 3.600 4.178 . 0 0 "[ . 1 .]" 2
823 1 89 GLU HA 1 90 GLU H . . 3.600 3.534 3.439 3.594 . 0 0 "[ . 1 .]" 2
824 1 89 GLU H 1 90 GLU H . . 2.800 2.644 2.453 2.791 . 0 0 "[ . 1 .]" 2
825 1 89 GLU HB3 1 90 GLU H . . 4.000 2.486 2.189 2.791 . 0 0 "[ . 1 .]" 2
826 1 89 GLU HB2 1 90 GLU H . . 4.000 3.788 3.602 3.961 . 0 0 "[ . 1 .]" 2
827 1 89 GLU QG 1 90 GLU H . . 5.800 3.636 3.230 4.243 . 0 0 "[ . 1 .]" 2
828 1 90 GLU H 1 90 GLU HA . . 2.800 2.814 2.780 2.833 0.033 5 0 "[ . 1 .]" 2
829 1 87 SER HA 1 90 GLU H . . 5.400 4.583 4.220 4.920 . 0 0 "[ . 1 .]" 2
830 1 87 SER HB2 1 90 GLU H . . 5.000 3.438 2.051 4.408 . 0 0 "[ . 1 .]" 2
831 1 87 SER HB3 1 90 GLU H . . 5.000 3.705 2.273 4.793 . 0 0 "[ . 1 .]" 2
832 1 88 ALA HA 1 90 GLU H . . 4.800 4.414 4.151 4.662 . 0 0 "[ . 1 .]" 2
833 1 90 GLU H 1 92 ASN H . . 4.200 4.103 3.929 4.243 0.043 2 0 "[ . 1 .]" 2
834 1 90 GLU HA 1 91 MET H . . 3.600 3.486 3.443 3.541 . 0 0 "[ . 1 .]" 2
835 1 90 GLU H 1 91 MET H . . 2.800 2.562 2.413 2.684 . 0 0 "[ . 1 .]" 2
836 1 90 GLU QB 1 91 MET H . . 5.400 2.601 2.264 3.521 . 0 0 "[ . 1 .]" 2
837 1 91 MET H 1 91 MET HA . . 2.800 2.813 2.798 2.837 0.037 12 0 "[ . 1 .]" 2
838 1 91 MET H 1 91 MET HB2 . . 3.600 2.573 2.377 2.648 . 0 0 "[ . 1 .]" 2
839 1 91 MET H 1 91 MET HB3 . . 3.600 2.454 2.305 2.612 . 0 0 "[ . 1 .]" 2
840 1 88 ALA HA 1 91 MET H . . 4.000 3.349 3.130 3.541 . 0 0 "[ . 1 .]" 2
841 1 89 GLU HA 1 91 MET H . . 4.400 4.407 4.254 4.453 0.053 4 0 "[ . 1 .]" 2
842 1 91 MET H 1 93 PHE H . . 4.200 3.961 3.846 4.120 . 0 0 "[ . 1 .]" 2
843 1 91 MET HA 1 92 ASN H . . 3.600 3.520 3.486 3.566 . 0 0 "[ . 1 .]" 2
844 1 91 MET H 1 92 ASN H . . 2.800 2.675 2.593 2.763 . 0 0 "[ . 1 .]" 2
845 1 91 MET QB 1 92 ASN H . . 4.600 2.488 2.268 2.636 . 0 0 "[ . 1 .]" 2
846 1 91 MET QG 1 92 ASN H . . 5.400 3.616 3.248 4.228 . 0 0 "[ . 1 .]" 2
847 1 92 ASN H 1 92 ASN HA . . 2.800 2.820 2.794 2.841 0.041 6 0 "[ . 1 .]" 2
848 1 92 ASN H 1 92 ASN HB2 . . 2.800 2.540 2.349 2.662 . 0 0 "[ . 1 .]" 2
849 1 92 ASN H 1 92 ASN HB3 . . 2.800 2.532 2.438 2.711 . 0 0 "[ . 1 .]" 2
850 1 89 GLU HA 1 92 ASN H . . 3.500 3.485 3.243 3.566 0.066 6 0 "[ . 1 .]" 2
851 1 88 ALA HA 1 92 ASN H . . 4.400 3.971 3.712 4.259 . 0 0 "[ . 1 .]" 2
852 1 90 GLU HA 1 92 ASN H . . 4.400 4.412 4.315 4.460 0.060 14 0 "[ . 1 .]" 2
853 1 92 ASN H 1 94 VAL H . . 4.200 4.186 4.097 4.230 0.030 7 0 "[ . 1 .]" 2
854 1 92 ASN HA 1 93 PHE H . . 3.600 3.479 3.441 3.525 . 0 0 "[ . 1 .]" 2
855 1 92 ASN H 1 93 PHE H . . 2.800 2.534 2.401 2.696 . 0 0 "[ . 1 .]" 2
856 1 92 ASN HB2 1 93 PHE H . . 4.000 3.887 3.697 4.002 0.002 5 0 "[ . 1 .]" 2
857 1 92 ASN HB3 1 93 PHE H . . 4.000 2.692 2.551 2.909 . 0 0 "[ . 1 .]" 2
858 1 93 PHE H 1 93 PHE HA . . 2.800 2.800 2.787 2.818 0.018 5 0 "[ . 1 .]" 2
859 1 93 PHE H 1 93 PHE HB2 . . 2.800 2.489 2.402 2.630 . 0 0 "[ . 1 .]" 2
860 1 93 PHE H 1 93 PHE HB3 . . 2.800 2.491 2.427 2.566 . 0 0 "[ . 1 .]" 2
861 1 90 GLU HA 1 93 PHE H . . 3.500 3.349 3.084 3.538 0.038 15 0 "[ . 1 .]" 2
862 1 89 GLU HA 1 93 PHE H . . 4.200 4.080 3.941 4.208 0.008 10 0 "[ . 1 .]" 2
863 1 91 MET HA 1 93 PHE H . . 4.400 4.347 4.199 4.434 0.034 9 0 "[ . 1 .]" 2
864 1 93 PHE H 1 95 LEU H . . 4.200 4.021 3.930 4.131 . 0 0 "[ . 1 .]" 2
865 1 93 PHE HA 1 94 VAL H . . 3.600 3.553 3.520 3.583 . 0 0 "[ . 1 .]" 2
866 1 93 PHE H 1 94 VAL H . . 2.800 2.726 2.628 2.802 0.002 10 0 "[ . 1 .]" 2
867 1 93 PHE HB2 1 94 VAL H . . 4.000 3.879 3.795 3.953 . 0 0 "[ . 1 .]" 2
868 1 93 PHE HB3 1 94 VAL H . . 4.000 2.580 2.441 2.750 . 0 0 "[ . 1 .]" 2
869 1 94 VAL H 1 94 VAL HA . . 2.800 2.828 2.812 2.837 0.037 1 0 "[ . 1 .]" 2
870 1 94 VAL H 1 94 VAL HB . . 2.600 2.547 2.491 2.599 . 0 0 "[ . 1 .]" 2
871 1 91 MET HA 1 94 VAL H . . 3.500 3.531 3.290 3.576 0.076 1 0 "[ . 1 .]" 2
872 1 90 GLU HA 1 94 VAL H . . 4.200 4.088 3.871 4.268 0.068 4 0 "[ . 1 .]" 2
873 1 92 ASN HA 1 94 VAL H . . 4.400 4.408 4.355 4.450 0.050 9 0 "[ . 1 .]" 2
874 1 94 VAL H 1 96 MET H . . 4.200 3.991 3.848 4.159 . 0 0 "[ . 1 .]" 2
875 1 94 VAL HA 1 95 LEU H . . 3.600 3.507 3.483 3.529 . 0 0 "[ . 1 .]" 2
876 1 94 VAL H 1 95 LEU H . . 2.800 2.554 2.464 2.638 . 0 0 "[ . 1 .]" 2
877 1 94 VAL HB 1 95 LEU H . . 3.000 2.861 2.734 2.985 . 0 0 "[ . 1 .]" 2
878 1 94 VAL MG1 1 95 LEU H . . 6.800 3.615 3.542 3.710 . 0 0 "[ . 1 .]" 2
879 1 94 VAL MG2 1 95 LEU H . . 6.800 3.935 3.862 4.011 . 0 0 "[ . 1 .]" 2
880 1 95 LEU H 1 95 LEU HA . . 2.800 2.832 2.814 2.852 0.052 9 0 "[ . 1 .]" 2
881 1 95 LEU H 1 95 LEU HB2 . . 4.000 2.501 2.436 2.591 . 0 0 "[ . 1 .]" 2
882 1 95 LEU H 1 95 LEU HB3 . . 4.000 3.627 3.612 3.654 . 0 0 "[ . 1 .]" 2
883 1 95 LEU H 1 95 LEU HG . . 3.000 2.453 2.299 2.574 . 0 0 "[ . 1 .]" 2
884 1 92 ASN HA 1 95 LEU H . . 3.500 3.356 3.176 3.538 0.038 9 0 "[ . 1 .]" 2
885 1 91 MET HA 1 95 LEU H . . 4.200 4.187 4.031 4.260 0.060 12 0 "[ . 1 .]" 2
886 1 93 PHE HA 1 95 LEU H . . 4.400 4.414 4.236 4.437 0.037 2 0 "[ . 1 .]" 2
887 1 95 LEU H 1 97 GLY H . . 4.800 3.919 3.697 4.271 . 0 0 "[ . 1 .]" 2
888 1 95 LEU HA 1 96 MET H . . 3.600 3.473 3.382 3.556 . 0 0 "[ . 1 .]" 2
889 1 95 LEU H 1 96 MET H . . 2.800 2.565 2.430 2.711 . 0 0 "[ . 1 .]" 2
890 1 95 LEU HB2 1 96 MET H . . 4.000 2.932 2.633 3.194 . 0 0 "[ . 1 .]" 2
891 1 95 LEU HB3 1 96 MET H . . 4.000 3.853 3.616 4.018 0.018 9 0 "[ . 1 .]" 2
892 1 95 LEU HG 1 96 MET H . . 5.000 4.514 4.230 4.677 . 0 0 "[ . 1 .]" 2
893 1 95 LEU MD1 1 96 MET H . . 6.800 4.807 4.562 5.019 . 0 0 "[ . 1 .]" 2
894 1 95 LEU MD2 1 96 MET H . . 6.800 4.703 4.603 4.774 . 0 0 "[ . 1 .]" 2
895 1 96 MET H 1 96 MET HA . . 2.800 2.844 2.820 2.864 0.064 8 0 "[ . 1 .]" 2
896 1 93 PHE HA 1 96 MET H . . 3.500 3.499 3.213 3.557 0.057 7 0 "[ . 1 .]" 2
897 1 92 ASN HA 1 96 MET H . . 4.200 4.044 3.821 4.226 0.026 2 0 "[ . 1 .]" 2
898 1 94 VAL HA 1 96 MET H . . 4.400 4.140 3.950 4.379 . 0 0 "[ . 1 .]" 2
899 1 96 MET H 1 98 GLY H . . 4.200 3.694 3.439 4.162 . 0 0 "[ . 1 .]" 2
900 1 96 MET HA 1 97 GLY H . . 3.000 3.139 3.033 3.275 0.275 12 0 "[ . 1 .]" 2
901 1 96 MET H 1 97 GLY H . . 3.400 2.423 2.229 2.758 . 0 0 "[ . 1 .]" 2
902 1 96 MET QB 1 97 GLY H . . 5.800 3.203 2.528 3.650 . 0 0 "[ . 1 .]" 2
903 1 96 MET QG 1 97 GLY H . . 5.800 4.201 3.654 4.673 . 0 0 "[ . 1 .]" 2
904 1 97 GLY H 1 97 GLY HA2 . . 2.800 2.370 2.295 2.918 0.118 12 0 "[ . 1 .]" 2
905 1 97 GLY H 1 97 GLY HA3 . . 2.800 2.827 2.535 2.879 0.079 6 0 "[ . 1 .]" 2
906 1 97 GLY HA2 1 98 GLY H . . 3.600 2.964 2.661 3.515 . 0 0 "[ . 1 .]" 2
907 1 97 GLY HA3 1 98 GLY H . . 3.600 3.437 2.886 3.550 . 0 0 "[ . 1 .]" 2
908 1 97 GLY H 1 98 GLY H . . 2.800 2.504 2.107 2.758 . 0 0 "[ . 1 .]" 2
909 1 98 GLY H 1 98 GLY HA2 . . 2.600 2.654 2.276 2.761 0.161 11 0 "[ . 1 .]" 2
910 1 98 GLY H 1 98 GLY HA3 . . 2.800 2.364 2.214 2.893 0.093 12 0 "[ . 1 .]" 2
911 1 96 MET QB 1 98 GLY H . . 6.000 3.306 2.667 4.405 . 0 0 "[ . 1 .]" 2
912 1 96 MET QG 1 98 GLY H . . 6.000 4.421 2.410 5.766 . 0 0 "[ . 1 .]" 2
913 1 98 GLY HA2 1 99 THR H . . 2.600 2.282 1.997 2.623 0.023 12 0 "[ . 1 .]" 2
914 1 98 GLY HA3 1 99 THR H . . 3.000 2.916 2.495 3.080 0.080 15 0 "[ . 1 .]" 2
915 1 98 GLY H 1 99 THR H . . 4.800 4.465 4.207 4.610 . 0 0 "[ . 1 .]" 2
916 1 99 THR H 1 99 THR HA . . 2.800 2.846 2.804 2.891 0.091 15 0 "[ . 1 .]" 2
917 1 99 THR H 1 99 THR HB . . 3.000 2.750 2.541 2.988 . 0 0 "[ . 1 .]" 2
918 1 99 THR HA 1 100 LEU H . . 2.400 2.148 1.962 2.331 . 0 0 "[ . 1 .]" 2
919 1 99 THR H 1 100 LEU H . . 4.800 4.210 3.745 4.564 . 0 0 "[ . 1 .]" 2
920 1 99 THR HB 1 100 LEU H . . 4.000 4.061 4.012 4.164 0.164 12 0 "[ . 1 .]" 2
921 1 99 THR MG 1 100 LEU H . . 6.400 3.096 2.465 4.198 . 0 0 "[ . 1 .]" 2
922 1 100 LEU H 1 100 LEU HA . . 3.000 2.918 2.882 2.947 . 0 0 "[ . 1 .]" 2
923 1 100 LEU HA 1 101 ASN H . . 2.400 2.189 2.123 2.420 0.020 14 0 "[ . 1 .]" 2
924 1 100 LEU H 1 101 ASN H . . 4.800 3.888 3.089 4.373 . 0 0 "[ . 1 .]" 2
925 1 100 LEU QB 1 101 ASN H . . 4.600 3.864 3.619 3.994 . 0 0 "[ . 1 .]" 2
926 1 101 ASN H 1 101 ASN HA . . 3.000 2.901 2.856 2.948 . 0 0 "[ . 1 .]" 2
927 1 101 ASN H 1 101 ASN HB2 . . 4.400 3.183 2.651 3.943 . 0 0 "[ . 1 .]" 2
928 1 101 ASN H 1 101 ASN HB3 . . 4.400 2.918 2.421 3.803 . 0 0 "[ . 1 .]" 2
929 1 101 ASN HA 1 102 ARG H . . 2.400 2.226 2.020 2.454 0.054 13 0 "[ . 1 .]" 2
930 1 101 ASN H 1 102 ARG H . . 4.800 3.926 2.454 4.461 . 0 0 "[ . 1 .]" 2
931 1 101 ASN HB2 1 102 ARG H . . 5.000 4.011 2.461 4.563 . 0 0 "[ . 1 .]" 2
932 1 101 ASN HB3 1 102 ARG H . . 5.000 4.091 2.774 4.520 . 0 0 "[ . 1 .]" 2
933 1 102 ARG H 1 102 ARG HA . . 3.000 2.840 2.247 2.939 . 0 0 "[ . 1 .]" 2
934 1 102 ARG HA 1 103 LEU H . . 2.400 2.198 2.048 2.516 0.116 15 0 "[ . 1 .]" 2
935 1 102 ARG H 1 103 LEU H . . 4.800 3.773 2.424 4.538 . 0 0 "[ . 1 .]" 2
936 1 102 ARG QB 1 103 LEU H . . 5.400 3.661 2.358 4.008 . 0 0 "[ . 1 .]" 2
937 1 103 LEU H 1 103 LEU HA . . 3.000 2.883 2.790 2.950 . 0 0 "[ . 1 .]" 2
938 1 103 LEU HA 1 104 GLU H . . 2.400 2.162 2.000 2.549 0.149 12 0 "[ . 1 .]" 2
939 1 103 LEU H 1 104 GLU H . . 4.800 3.891 2.188 4.416 . 0 0 "[ . 1 .]" 2
940 1 104 GLU H 1 104 GLU HA . . 3.000 2.845 2.229 2.933 . 0 0 "[ . 1 .]" 2
941 1 6 VAL HA 1 61 ALA MB . . 6.800 4.480 3.620 5.401 . 0 0 "[ . 1 .]" 2
942 1 7 ARG HA 1 87 SER HA . . 2.300 1.803 1.773 1.837 . 0 0 "[ . 1 .]" 2
943 1 8 ASP HA 1 61 ALA HA . . 2.800 2.089 1.912 2.329 . 0 0 "[ . 1 .]" 2
944 1 8 ASP HA 1 61 ALA MB . . 6.800 3.239 2.711 3.697 . 0 0 "[ . 1 .]" 2
945 1 9 CYS HA 1 57 GLN HA . . 2.300 2.097 1.949 2.227 . 0 0 "[ . 1 .]" 2
946 1 9 CYS HA 1 57 GLN QG . . 6.400 3.158 2.432 3.711 . 0 0 "[ . 1 .]" 2
947 1 10 ILE HA 1 85 GLN HA . . 2.300 2.249 2.047 2.333 0.033 2 0 "[ . 1 .]" 2
948 1 11 ARG HA 1 55 PHE HA . . 2.300 2.248 2.160 2.359 0.059 8 0 "[ . 1 .]" 2
949 1 12 LEU HA 1 83 VAL HA . . 2.300 2.290 2.131 2.366 0.066 7 0 "[ . 1 .]" 2
950 1 12 LEU HA 1 83 VAL MG1 . . 6.800 3.347 2.965 3.921 . 0 0 "[ . 1 .]" 2
951 1 13 ARG HA 1 53 ASP HA . . 2.300 2.181 2.024 2.398 0.098 1 0 "[ . 1 .]" 2
952 1 19 ALA HA 1 23 ASP QB . . 4.600 3.475 2.964 3.934 . 0 0 "[ . 1 .]" 2
953 1 21 ILE HA 1 24 ILE HB . . 3.600 3.597 3.369 3.659 0.059 1 0 "[ . 1 .]" 2
954 1 21 ILE HA 1 24 ILE MD . . 6.400 4.353 4.041 5.501 . 0 0 "[ . 1 .]" 2
955 1 21 ILE HA 1 24 ILE MG . . 6.800 1.936 1.839 2.107 . 0 0 "[ . 1 .]" 2
956 1 22 GLU HA 1 25 LEU HB2 . . 4.400 2.732 2.562 2.879 . 0 0 "[ . 1 .]" 2
957 1 22 GLU HA 1 25 LEU HB3 . . 4.400 4.304 4.068 4.430 0.030 9 0 "[ . 1 .]" 2
958 1 25 LEU HB2 1 26 ASP HA . . 5.000 4.543 4.339 5.002 0.002 4 0 "[ . 1 .]" 2
959 1 25 LEU HB3 1 26 ASP HA . . 5.000 4.478 4.237 4.735 . 0 0 "[ . 1 .]" 2
960 1 32 ALA HA 1 35 ILE MD . . 5.400 4.131 3.582 4.566 . 0 0 "[ . 1 .]" 2
961 1 35 ILE HA 1 58 MET HA . . 2.300 2.062 1.924 2.280 . 0 0 "[ . 1 .]" 2
962 1 40 VAL HA 1 56 ILE HA . . 2.300 2.274 2.019 2.376 0.076 4 0 "[ . 1 .]" 2
963 1 42 MET HA 1 54 ALA HA . . 2.300 2.312 2.219 2.392 0.092 4 0 "[ . 1 .]" 2
964 1 42 MET HA 1 54 ALA MB . . 6.800 2.063 1.900 2.491 . 0 0 "[ . 1 .]" 2
965 1 44 LEU HA 1 50 PRO HA . . 2.300 2.211 1.946 2.373 0.073 4 0 "[ . 1 .]" 2
966 1 44 LEU HA 1 45 ASN QB . . 5.400 3.952 3.884 4.095 . 0 0 "[ . 1 .]" 2
967 1 44 LEU HB2 1 48 GLY HA2 . . 5.400 3.368 2.345 4.140 . 0 0 "[ . 1 .]" 2
968 1 44 LEU HB3 1 48 GLY HA2 . . 5.400 2.959 2.447 4.001 . 0 0 "[ . 1 .]" 2
969 1 9 CYS HB2 1 57 GLN HA . . 5.800 4.703 4.495 4.928 . 0 0 "[ . 1 .]" 2
970 1 9 CYS HB3 1 57 GLN HA . . 5.800 3.528 3.220 3.764 . 0 0 "[ . 1 .]" 2
971 1 8 ASP HB2 1 60 SER HA . . 4.600 3.903 3.473 4.521 . 0 0 "[ . 1 .]" 2
972 1 8 ASP HB3 1 60 SER HA . . 4.600 3.539 2.913 4.141 . 0 0 "[ . 1 .]" 2
973 1 8 ASP HB2 1 61 ALA HA . . 4.800 3.665 3.140 4.272 . 0 0 "[ . 1 .]" 2
974 1 8 ASP HB3 1 61 ALA HA . . 4.800 3.082 2.588 3.727 . 0 0 "[ . 1 .]" 2
975 1 62 ASP HA 1 65 PHE HB2 . . 4.000 3.781 3.209 4.042 0.042 2 0 "[ . 1 .]" 2
976 1 62 ASP HA 1 65 PHE HB3 . . 4.000 3.013 2.385 3.257 . 0 0 "[ . 1 .]" 2
977 1 58 MET QG 1 64 ALA HA . . 6.000 2.982 2.147 3.768 . 0 0 "[ . 1 .]" 2
978 1 10 ILE MG 1 64 ALA HA . . 6.000 4.090 3.624 4.610 . 0 0 "[ . 1 .]" 2
979 1 65 PHE HA 1 68 ALA MB . . 6.400 2.683 2.554 2.806 . 0 0 "[ . 1 .]" 2
980 1 66 MET HA 1 69 GLN HB2 . . 3.600 3.500 2.925 3.635 0.035 9 0 "[ . 1 .]" 2
981 1 66 MET HA 1 69 GLN HB3 . . 3.600 2.704 2.366 3.094 . 0 0 "[ . 1 .]" 2
982 1 68 ALA HA 1 83 VAL HB . . 4.000 2.972 2.532 3.239 . 0 0 "[ . 1 .]" 2
983 1 68 ALA HA 1 83 VAL MG1 . . 5.400 1.970 1.871 2.130 . 0 0 "[ . 1 .]" 2
984 1 75 ASN HA 1 80 TYR HA . . 2.300 2.177 1.944 2.420 0.120 8 0 "[ . 1 .]" 2
985 1 88 ALA HA 1 91 MET HB2 . . 4.400 3.245 2.665 3.733 . 0 0 "[ . 1 .]" 2
986 1 88 ALA HA 1 91 MET HB3 . . 4.400 2.442 2.043 3.009 . 0 0 "[ . 1 .]" 2
987 1 89 GLU HA 1 92 ASN HB2 . . 4.800 3.686 2.948 4.135 . 0 0 "[ . 1 .]" 2
988 1 89 GLU HA 1 92 ASN HB3 . . 4.800 2.878 2.309 3.424 . 0 0 "[ . 1 .]" 2
989 1 91 MET HA 1 94 VAL HB . . 3.400 3.187 2.717 3.417 0.017 1 0 "[ . 1 .]" 2
990 1 92 ASN HA 1 95 LEU HB2 . . 4.800 2.587 2.359 2.987 . 0 0 "[ . 1 .]" 2
991 1 92 ASN HA 1 95 LEU HB3 . . 4.800 4.231 3.956 4.673 . 0 0 "[ . 1 .]" 2
992 1 34 ASP HB2 1 58 MET ME . . 5.000 3.173 1.940 5.006 0.006 11 0 "[ . 1 .]" 2
993 1 34 ASP HB3 1 58 MET ME . . 5.000 2.941 1.917 4.607 . 0 0 "[ . 1 .]" 2
994 1 31 PHE HB2 1 58 MET ME . . 5.800 3.526 3.034 3.786 . 0 0 "[ . 1 .]" 2
995 1 31 PHE HB3 1 58 MET ME . . 5.800 2.305 2.041 3.211 . 0 0 "[ . 1 .]" 2
996 1 10 ILE MD 1 58 MET ME . . 6.400 2.991 2.249 3.698 . 0 0 "[ . 1 .]" 2
997 1 58 MET ME 1 67 ALA MB . . 6.000 2.986 2.116 3.676 . 0 0 "[ . 1 .]" 2
998 1 58 MET ME 1 67 ALA HA . . 6.400 5.287 4.137 6.264 . 0 0 "[ . 1 .]" 2
999 1 58 MET ME 1 64 ALA HA . . 6.000 3.727 3.064 4.207 . 0 0 "[ . 1 .]" 2
1000 1 10 ILE MD 1 67 ALA MB . . 6.000 2.122 1.974 2.480 . 0 0 "[ . 1 .]" 2
1001 1 34 ASP HA 1 58 MET ME . . 6.400 4.507 3.996 5.472 . 0 0 "[ . 1 .]" 2
1002 1 35 ILE HA 1 58 MET ME . . 6.400 3.185 2.882 3.459 . 0 0 "[ . 1 .]" 2
1003 1 36 ARG HA 1 58 MET ME . . 6.800 6.638 6.291 6.904 0.104 9 0 "[ . 1 .]" 2
1004 1 31 PHE HA 1 58 MET ME . . 6.400 3.387 2.407 4.418 . 0 0 "[ . 1 .]" 2
1005 1 42 MET ME 1 54 ALA MB . . 6.400 3.515 2.476 4.625 . 0 0 "[ . 1 .]" 2
1006 1 21 ILE MG 1 42 MET ME . . 6.800 3.671 2.056 6.040 . 0 0 "[ . 1 .]" 2
1007 1 24 ILE MD 1 42 MET ME . . 6.000 3.656 2.147 5.246 . 0 0 "[ . 1 .]" 2
1008 1 15 LEU MD1 1 42 MET ME . . 6.400 3.107 2.023 4.716 . 0 0 "[ . 1 .]" 2
1009 1 32 ALA MB 1 35 ILE MD . . 6.400 4.468 3.963 5.064 . 0 0 "[ . 1 .]" 2
1010 1 35 ILE MG 1 39 GLY HA2 . . 6.800 6.346 5.732 6.812 0.012 7 0 "[ . 1 .]" 2
1011 1 35 ILE MG 1 40 VAL HA . . 6.800 6.362 5.834 6.776 . 0 0 "[ . 1 .]" 2
1012 1 35 ILE MG 1 58 MET HA . . 6.800 4.830 4.668 5.001 . 0 0 "[ . 1 .]" 2
1013 1 8 ASP HA 1 64 ALA MB . . 5.400 2.337 2.080 2.704 . 0 0 "[ . 1 .]" 2
1014 1 8 ASP HB2 1 64 ALA MB . . 6.800 3.525 3.189 3.919 . 0 0 "[ . 1 .]" 2
1015 1 8 ASP HB3 1 64 ALA MB . . 6.800 4.079 3.746 4.398 . 0 0 "[ . 1 .]" 2
1016 1 58 MET HB2 1 64 ALA MB . . 6.400 2.371 1.985 2.816 . 0 0 "[ . 1 .]" 2
1017 1 58 MET HB3 1 64 ALA MB . . 6.400 3.464 2.342 4.204 . 0 0 "[ . 1 .]" 2
1018 1 64 ALA MB 1 85 GLN HG2 . . 6.400 3.489 2.156 4.767 . 0 0 "[ . 1 .]" 2
1019 1 64 ALA MB 1 85 GLN HG3 . . 6.000 2.858 2.386 3.744 . 0 0 "[ . 1 .]" 2
1020 1 64 ALA MB 1 85 GLN HA . . 6.800 4.073 3.540 4.598 . 0 0 "[ . 1 .]" 2
1021 1 10 ILE MG 1 64 ALA MB . . 6.000 3.577 3.233 4.015 . 0 0 "[ . 1 .]" 2
1022 1 23 ASP HA 1 76 MET ME . . 6.400 4.371 3.559 4.958 . 0 0 "[ . 1 .]" 2
1023 1 23 ASP QB 1 76 MET ME . . 6.400 2.925 1.966 3.495 . 0 0 "[ . 1 .]" 2
1024 1 27 PHE HB2 1 76 MET ME . . 6.000 2.316 2.075 2.632 . 0 0 "[ . 1 .]" 2
1025 1 27 PHE HB3 1 76 MET ME . . 6.000 3.026 2.668 3.583 . 0 0 "[ . 1 .]" 2
1026 1 24 ILE MD 1 76 MET ME . . 6.800 3.828 3.048 5.378 . 0 0 "[ . 1 .]" 2
1027 1 24 ILE MG 1 76 MET ME . . 6.000 4.317 3.730 5.241 . 0 0 "[ . 1 .]" 2
1028 1 24 ILE HA 1 76 MET ME . . 6.000 2.482 2.070 3.335 . 0 0 "[ . 1 .]" 2
1029 1 15 LEU MD2 1 76 MET ME . . 6.000 3.720 2.192 4.771 . 0 0 "[ . 1 .]" 2
1030 1 9 CYS HG 1 88 ALA MB . . 6.800 3.093 2.622 3.544 . 0 0 "[ . 1 .]" 2
1031 1 24 ILE MG 1 42 MET ME . . 6.000 3.779 2.323 4.895 . 0 0 "[ . 1 .]" 2
1032 1 24 ILE MG 1 54 ALA MB . . 6.000 5.082 3.967 5.774 . 0 0 "[ . 1 .]" 2
1033 1 15 LEU MD1 1 54 ALA MB . . 6.000 1.952 1.829 2.197 . 0 0 "[ . 1 .]" 2
1034 1 8 ASP HB2 1 61 ALA MB . . 6.400 4.319 3.744 4.806 . 0 0 "[ . 1 .]" 2
1035 1 8 ASP HB3 1 61 ALA MB . . 6.400 3.053 2.549 3.699 . 0 0 "[ . 1 .]" 2
1036 1 6 VAL MG2 1 61 ALA MB . . 6.000 4.355 3.886 5.426 . 0 0 "[ . 1 .]" 2
1037 1 68 ALA MB 1 83 VAL MG1 . . 6.000 2.533 2.245 2.793 . 0 0 "[ . 1 .]" 2
1038 1 68 ALA MB 1 85 GLN QB . . 6.400 2.249 1.980 2.621 . 0 0 "[ . 1 .]" 2
1039 1 68 ALA MB 1 85 GLN HA . . 6.400 3.204 2.817 3.525 . 0 0 "[ . 1 .]" 2
1040 1 68 ALA MB 1 84 PHE HA . . 6.000 2.871 2.254 3.341 . 0 0 "[ . 1 .]" 2
1041 1 10 ILE HA 1 68 ALA MB . . 6.800 4.127 3.559 4.596 . 0 0 "[ . 1 .]" 2
1042 1 10 ILE MG 1 68 ALA MB . . 6.000 2.279 2.007 3.061 . 0 0 "[ . 1 .]" 2
1043 1 15 LEU HA 1 19 ALA MB . . 6.800 4.452 3.836 5.002 . 0 0 "[ . 1 .]" 2
1044 1 15 LEU MD2 1 19 ALA MB . . 6.400 3.672 3.135 4.195 . 0 0 "[ . 1 .]" 2
1045 1 16 PRO HD2 1 19 ALA MB . . 6.400 2.549 2.218 3.076 . 0 0 "[ . 1 .]" 2
1046 1 16 PRO HD3 1 19 ALA MB . . 6.800 3.850 3.604 4.213 . 0 0 "[ . 1 .]" 2
1047 1 16 PRO HG2 1 19 ALA MB . . 5.800 2.195 2.105 2.466 . 0 0 "[ . 1 .]" 2
1048 1 16 PRO HG3 1 19 ALA MB . . 6.400 3.640 3.527 3.940 . 0 0 "[ . 1 .]" 2
1049 1 31 PHE HB2 1 67 ALA MB . . 6.800 3.469 2.860 4.358 . 0 0 "[ . 1 .]" 2
1050 1 31 PHE HB3 1 67 ALA MB . . 6.800 2.912 2.228 3.433 . 0 0 "[ . 1 .]" 2
1051 1 31 PHE HD2 1 67 ALA MB . . 4.800 3.460 2.365 4.062 . 0 0 "[ . 1 .]" 2
1052 1 31 PHE HE2 1 67 ALA MB . . 5.400 4.132 3.110 4.756 . 0 0 "[ . 1 .]" 2
1053 1 41 HIS HB2 1 95 LEU MD1 . . 6.400 3.665 2.523 5.898 . 0 0 "[ . 1 .]" 2
1054 1 41 HIS HB3 1 95 LEU MD1 . . 6.400 3.534 2.279 5.514 . 0 0 "[ . 1 .]" 2
1055 1 41 HIS HB2 1 95 LEU MD2 . . 6.000 3.709 2.936 5.588 . 0 0 "[ . 1 .]" 2
1056 1 41 HIS HB3 1 95 LEU MD2 . . 6.000 3.159 2.236 4.988 . 0 0 "[ . 1 .]" 2
1057 1 71 CYS HB2 1 83 VAL MG1 . . 6.800 2.425 2.244 2.645 . 0 0 "[ . 1 .]" 2
1058 1 71 CYS HB3 1 83 VAL MG1 . . 6.800 3.585 3.339 3.893 . 0 0 "[ . 1 .]" 2
1059 1 10 ILE MG 1 83 VAL MG1 . . 6.400 1.871 1.819 1.912 . 0 0 "[ . 1 .]" 2
1060 1 15 LEU MD2 1 54 ALA MB . . 7.400 3.439 2.887 3.891 . 0 0 "[ . 1 .]" 2
1061 1 12 LEU MD1 1 15 LEU MD2 . . 6.400 2.209 2.012 2.478 . 0 0 "[ . 1 .]" 2
1062 1 24 ILE MD 1 54 ALA MB . . 6.000 3.628 2.602 4.895 . 0 0 "[ . 1 .]" 2
1063 1 15 LEU MD2 1 16 PRO HD2 . . 6.000 2.838 2.547 3.200 . 0 0 "[ . 1 .]" 2
1064 1 15 LEU MD2 1 16 PRO HD3 . . 6.400 3.279 3.038 3.586 . 0 0 "[ . 1 .]" 2
1065 1 16 PRO HD2 1 81 VAL MG2 . . 6.400 3.486 3.036 3.773 . 0 0 "[ . 1 .]" 2
1066 1 16 PRO HD3 1 81 VAL MG2 . . 6.400 2.514 2.068 2.941 . 0 0 "[ . 1 .]" 2
1067 1 15 LEU HA 1 81 VAL MG2 . . 6.000 2.480 2.120 2.918 . 0 0 "[ . 1 .]" 2
1068 1 15 LEU HA 1 81 VAL MG1 . . 6.800 3.461 3.001 3.839 . 0 0 "[ . 1 .]" 2
1069 1 15 LEU MD2 1 81 VAL MG1 . . 6.000 2.246 1.998 2.737 . 0 0 "[ . 1 .]" 2
1070 1 75 ASN HA 1 81 VAL MG2 . . 6.400 4.068 3.228 4.641 . 0 0 "[ . 1 .]" 2
1071 1 76 MET HA 1 81 VAL MG2 . . 6.400 4.384 4.213 4.660 . 0 0 "[ . 1 .]" 2
1072 1 76 MET QG 1 81 VAL MG2 . . 6.400 3.629 3.416 4.234 . 0 0 "[ . 1 .]" 2
1073 1 76 MET ME 1 81 VAL MG2 . . 6.800 3.915 2.446 4.389 . 0 0 "[ . 1 .]" 2
1074 1 80 TYR HA 1 81 VAL MG2 . . 6.400 3.495 3.309 3.683 . 0 0 "[ . 1 .]" 2
1075 1 12 LEU MD1 1 83 VAL HA . . 6.400 5.209 4.448 5.644 . 0 0 "[ . 1 .]" 2
1076 1 12 LEU MD2 1 83 VAL HA . . 6.400 3.038 2.354 3.497 . 0 0 "[ . 1 .]" 2
1077 1 12 LEU MD1 1 81 VAL MG1 . . 6.400 3.209 2.706 3.866 . 0 0 "[ . 1 .]" 2
1078 1 12 LEU MD2 1 54 ALA MB . . 6.400 4.276 3.782 4.542 . 0 0 "[ . 1 .]" 2
1079 1 35 ILE MG 1 56 ILE MG . . 6.000 4.062 3.816 4.260 . 0 0 "[ . 1 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 37
_Distance_constraint_stats_list.Viol_count 53
_Distance_constraint_stats_list.Viol_total 90.122
_Distance_constraint_stats_list.Viol_max 0.538
_Distance_constraint_stats_list.Viol_rms 0.0573
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.1134
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 12 LEU 0.136 0.078 4 0 "[ . 1 .]"
1 27 PHE 0.600 0.078 4 0 "[ . 1 .]"
1 28 LEU 0.455 0.049 6 0 "[ . 1 .]"
1 31 PHE 2.414 0.538 8 1 "[ . + 1 .]"
1 32 ALA 0.034 0.027 4 0 "[ . 1 .]"
1 35 ILE 0.034 0.027 4 0 "[ . 1 .]"
1 43 VAL 2.867 0.533 15 1 "[ . 1 +]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 54 ALA 0.039 0.009 5 0 "[ . 1 .]"
1 55 PHE 2.960 0.533 15 1 "[ . 1 +]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 57 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 67 ALA 2.414 0.538 8 1 "[ . + 1 .]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 71 CYS 0.009 0.009 1 0 "[ . 1 .]"
1 76 MET 0.000 0.000 . 0 "[ . 1 .]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 91 MET 0.000 0.000 . 0 "[ . 1 .]"
1 93 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 94 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 95 LEU 0.054 0.030 14 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 56 ILE HA 1 91 MET ME . . 6.400 4.391 3.661 6.386 . 0 0 "[ . 1 .]" 3
2 1 57 GLN HA 1 91 MET ME . . 6.400 4.433 3.067 5.562 . 0 0 "[ . 1 .]" 3
3 1 55 PHE HB2 1 91 MET ME . . 6.800 2.811 2.106 5.171 . 0 0 "[ . 1 .]" 3
4 1 55 PHE HB3 1 91 MET ME . . 6.800 2.565 1.838 4.612 . 0 0 "[ . 1 .]" 3
5 1 88 ALA MB 1 91 MET ME . . 7.400 4.696 2.326 5.708 . 0 0 "[ . 1 .]" 3
6 1 88 ALA HA 1 91 MET ME . . 5.800 4.494 2.288 5.400 . 0 0 "[ . 1 .]" 3
7 1 32 ALA MB 1 35 ILE HA . . 6.800 6.343 5.912 6.827 0.027 4 0 "[ . 1 .]" 3
8 1 55 PHE QE 1 94 VAL MG1 . . 6.800 2.339 2.126 2.743 . 0 0 "[ . 1 .]" 3
9 1 55 PHE QE 1 95 LEU MD2 . . 6.800 3.540 3.082 4.078 . 0 0 "[ . 1 .]" 3
10 1 55 PHE QD 1 95 LEU MD2 . . 6.800 3.124 2.518 4.782 . 0 0 "[ . 1 .]" 3
11 1 55 PHE HZ 1 95 LEU MD2 . . 5.400 5.103 4.390 5.430 0.030 14 0 "[ . 1 .]" 3
12 1 43 VAL MG2 1 55 PHE HE2 . . 5.400 4.465 2.355 5.933 0.533 15 1 "[ . 1 +]" 3
13 1 43 VAL MG2 1 55 PHE QD . . 5.400 2.524 2.243 2.885 . 0 0 "[ . 1 .]" 3
14 1 43 VAL MG2 1 53 ASP HB2 . . 6.400 3.997 2.671 4.794 . 0 0 "[ . 1 .]" 3
15 1 43 VAL MG2 1 53 ASP HB3 . . 6.400 3.992 2.369 5.102 . 0 0 "[ . 1 .]" 3
16 1 43 VAL MG2 1 95 LEU MD2 . . 6.000 3.001 2.122 4.061 . 0 0 "[ . 1 .]" 3
17 1 11 ARG HA 1 55 PHE QD . . 3.600 3.384 3.118 3.547 . 0 0 "[ . 1 .]" 3
18 1 54 ALA HA 1 55 PHE QD . . 3.600 3.511 3.305 3.609 0.009 5 0 "[ . 1 .]" 3
19 1 27 PHE HE2 1 81 VAL MG1 . . 5.400 3.255 2.550 3.934 . 0 0 "[ . 1 .]" 3
20 1 27 PHE HZ 1 81 VAL MG1 . . 5.400 3.512 2.679 4.770 . 0 0 "[ . 1 .]" 3
21 1 27 PHE HE2 1 83 VAL MG2 . . 5.400 2.788 2.117 3.700 . 0 0 "[ . 1 .]" 3
22 1 27 PHE HZ 1 83 VAL MG2 . . 5.400 3.367 2.251 4.819 . 0 0 "[ . 1 .]" 3
23 1 27 PHE HE2 1 71 CYS HB2 . . 4.400 4.060 3.643 4.409 0.009 1 0 "[ . 1 .]" 3
24 1 27 PHE HE2 1 71 CYS HB3 . . 4.000 3.023 2.424 3.550 . 0 0 "[ . 1 .]" 3
25 1 12 LEU MD1 1 27 PHE HE2 . . 5.400 4.033 2.750 5.449 0.049 4 0 "[ . 1 .]" 3
26 1 12 LEU MD1 1 27 PHE HD2 . . 5.400 4.199 3.045 5.478 0.078 4 0 "[ . 1 .]" 3
27 1 27 PHE HE2 1 76 MET ME . . 6.400 5.373 4.295 6.031 . 0 0 "[ . 1 .]" 3
28 1 27 PHE HD2 1 76 MET ME . . 5.400 4.164 3.494 4.918 . 0 0 "[ . 1 .]" 3
29 1 27 PHE HE2 1 28 LEU MD2 . . 5.800 3.440 3.286 3.747 . 0 0 "[ . 1 .]" 3
30 1 27 PHE HD2 1 28 LEU MD2 . . 5.000 2.848 2.620 3.153 . 0 0 "[ . 1 .]" 3
31 1 27 PHE HD2 1 28 LEU HG . . 3.000 3.025 2.927 3.049 0.049 6 0 "[ . 1 .]" 3
32 1 31 PHE HE2 1 67 ALA HA . . 3.600 3.485 2.880 4.138 0.538 8 1 "[ . + 1 .]" 3
33 1 31 PHE HD2 1 67 ALA HA . . 4.000 3.898 3.393 4.375 0.375 8 0 "[ . 1 .]" 3
34 1 31 PHE HD2 1 70 LYS QB . . 6.400 4.697 4.260 6.298 . 0 0 "[ . 1 .]" 3
35 1 31 PHE HE2 1 70 LYS QB . . 6.400 3.377 2.763 5.172 . 0 0 "[ . 1 .]" 3
36 1 93 PHE HD2 1 94 VAL MG2 . . 6.000 3.044 2.419 5.813 . 0 0 "[ . 1 .]" 3
37 1 93 PHE HE2 1 94 VAL MG2 . . 6.800 4.469 3.714 6.639 . 0 0 "[ . 1 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 429
_Distance_constraint_stats_list.Viol_total 1003.012
_Distance_constraint_stats_list.Viol_max 1.096
_Distance_constraint_stats_list.Viol_rms 0.1431
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1173
_Distance_constraint_stats_list.Viol_average_violations_only 0.1559
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ASP 2.274 0.371 10 0 "[ . 1 .]"
1 9 CYS 13.140 0.490 6 0 "[ . 1 .]"
1 10 ILE 1.869 0.214 13 0 "[ . 1 .]"
1 11 ARG 3.210 0.305 11 0 "[ . 1 .]"
1 12 LEU 5.508 0.241 1 0 "[ . 1 .]"
1 13 ARG 7.048 0.422 1 0 "[ . 1 .]"
1 36 ARG 5.521 0.440 3 0 "[ . 1 .]"
1 39 GLY 12.651 1.096 11 2 "[ . 1+ - .]"
1 41 HIS 1.621 0.105 8 0 "[ . 1 .]"
1 43 VAL 8.742 0.531 10 1 "[ . + .]"
1 53 ASP 8.742 0.531 10 1 "[ . + .]"
1 54 ALA 5.508 0.241 1 0 "[ . 1 .]"
1 55 PHE 1.621 0.105 8 0 "[ . 1 .]"
1 56 ILE 1.869 0.214 13 0 "[ . 1 .]"
1 57 GLN 7.130 1.096 11 2 "[ . 1+ - .]"
1 58 MET 2.274 0.371 10 0 "[ . 1 .]"
1 74 LYS 2.330 0.356 15 0 "[ . 1 .]"
1 76 MET 8.475 0.504 6 1 "[ .+ 1 .]"
1 79 ARG 8.475 0.504 6 1 "[ .+ 1 .]"
1 81 VAL 2.330 0.356 15 0 "[ . 1 .]"
1 82 GLU 7.048 0.422 1 0 "[ . 1 .]"
1 84 PHE 3.210 0.305 11 0 "[ . 1 .]"
1 86 CYS 13.140 0.490 6 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 8 ASP O 1 58 MET H . . 1.800 1.838 1.744 2.123 0.323 10 0 "[ . 1 .]" 4
2 1 8 ASP O 1 58 MET N . . 2.700 2.806 2.715 3.071 0.371 10 0 "[ . 1 .]" 4
3 1 39 GLY O 1 57 GLN H . . 1.800 2.062 1.763 2.896 1.096 11 2 "[ . 1+ - .]" 4
4 1 39 GLY O 1 57 GLN N . . 2.700 2.910 2.720 3.489 0.789 11 2 "[ . 1+ - .]" 4
5 1 36 ARG O 1 39 GLY H . . 1.800 1.997 1.874 2.240 0.440 3 0 "[ . 1 .]" 4
6 1 36 ARG O 1 39 GLY N . . 2.700 2.871 2.763 3.034 0.334 14 0 "[ . 1 .]" 4
7 1 43 VAL H 1 53 ASP O . . 1.800 2.087 1.897 2.300 0.500 10 1 "[ . + .]" 4
8 1 43 VAL N 1 53 ASP O . . 2.700 2.996 2.816 3.231 0.531 10 1 "[ . + .]" 4
9 1 41 HIS H 1 55 PHE O . . 1.800 1.798 1.751 1.889 0.089 8 0 "[ . 1 .]" 4
10 1 41 HIS N 1 55 PHE O . . 2.700 2.750 2.702 2.805 0.105 8 0 "[ . 1 .]" 4
11 1 41 HIS O 1 55 PHE H . . 1.800 1.772 1.743 1.810 0.010 10 0 "[ . 1 .]" 4
12 1 41 HIS O 1 55 PHE N . . 2.700 2.744 2.712 2.778 0.078 10 0 "[ . 1 .]" 4
13 1 9 CYS H 1 86 CYS O . . 1.800 2.212 2.070 2.278 0.478 6 0 "[ . 1 .]" 4
14 1 9 CYS N 1 86 CYS O . . 2.700 3.093 2.970 3.190 0.490 6 0 "[ . 1 .]" 4
15 1 9 CYS O 1 86 CYS H . . 1.800 1.824 1.736 1.976 0.176 2 0 "[ . 1 .]" 4
16 1 9 CYS O 1 86 CYS N . . 2.700 2.727 2.682 2.762 0.062 2 0 "[ . 1 .]" 4
17 1 11 ARG H 1 84 PHE O . . 1.800 1.748 1.718 1.779 . 0 0 "[ . 1 .]" 4
18 1 11 ARG N 1 84 PHE O . . 2.700 2.724 2.698 2.759 0.059 13 0 "[ . 1 .]" 4
19 1 11 ARG O 1 84 PHE H . . 1.800 1.858 1.788 2.027 0.227 11 0 "[ . 1 .]" 4
20 1 11 ARG O 1 84 PHE N . . 2.700 2.830 2.759 3.005 0.305 11 0 "[ . 1 .]" 4
21 1 13 ARG H 1 82 GLU O . . 1.800 2.016 1.816 2.222 0.422 1 0 "[ . 1 .]" 4
22 1 13 ARG N 1 82 GLU O . . 2.700 2.848 2.747 2.975 0.275 5 0 "[ . 1 .]" 4
23 1 13 ARG O 1 82 GLU H . . 1.800 1.835 1.755 1.949 0.149 1 0 "[ . 1 .]" 4
24 1 13 ARG O 1 82 GLU N . . 2.700 2.760 2.683 2.856 0.156 11 0 "[ . 1 .]" 4
25 1 10 ILE H 1 56 ILE O . . 1.800 1.770 1.731 1.809 0.009 9 0 "[ . 1 .]" 4
26 1 10 ILE N 1 56 ILE O . . 2.700 2.712 2.669 2.774 0.074 2 0 "[ . 1 .]" 4
27 1 10 ILE O 1 56 ILE H . . 1.800 1.822 1.773 1.957 0.157 13 0 "[ . 1 .]" 4
28 1 10 ILE O 1 56 ILE N . . 2.700 2.778 2.731 2.914 0.214 13 0 "[ . 1 .]" 4
29 1 12 LEU H 1 54 ALA O . . 1.800 1.769 1.731 1.793 . 0 0 "[ . 1 .]" 4
30 1 12 LEU N 1 54 ALA O . . 2.700 2.721 2.689 2.759 0.059 13 0 "[ . 1 .]" 4
31 1 12 LEU O 1 54 ALA H . . 1.800 1.974 1.896 2.038 0.238 1 0 "[ . 1 .]" 4
32 1 12 LEU O 1 54 ALA N . . 2.700 2.871 2.792 2.941 0.241 1 0 "[ . 1 .]" 4
33 1 76 MET H 1 79 ARG O . . 1.800 1.754 1.706 1.794 . 0 0 "[ . 1 .]" 4
34 1 76 MET N 1 79 ARG O . . 2.700 2.706 2.668 2.749 0.049 7 0 "[ . 1 .]" 4
35 1 76 MET O 1 79 ARG H . . 1.800 2.046 1.863 2.240 0.440 14 0 "[ . 1 .]" 4
36 1 76 MET O 1 79 ARG N . . 2.700 3.005 2.819 3.204 0.504 6 1 "[ .+ 1 .]" 4
37 1 74 LYS O 1 81 VAL H . . 1.800 1.842 1.760 2.101 0.301 15 0 "[ . 1 .]" 4
38 1 74 LYS O 1 81 VAL N . . 2.700 2.804 2.718 3.056 0.356 15 0 "[ . 1 .]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 3
_Distance_constraint_stats_list.Viol_count 29
_Distance_constraint_stats_list.Viol_total 30.170
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0409
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0447
_Distance_constraint_stats_list.Viol_average_violations_only 0.0694
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 26 ASP 1.006 0.113 5 0 "[ . 1 .]"
1 29 GLY 1.006 0.113 5 0 "[ . 1 .]"
1 71 CYS 1.005 0.138 10 0 "[ . 1 .]"
1 83 VAL 1.005 0.138 10 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 71 CYS O 1 83 VAL H . . 2.400 2.464 2.352 2.538 0.138 10 0 "[ . 1 .]" 5
2 1 71 CYS O 1 83 VAL N . . 3.400 3.285 3.187 3.380 . 0 0 "[ . 1 .]" 5
3 1 26 ASP O 1 29 GLY H . . 2.200 2.267 2.228 2.313 0.113 5 0 "[ . 1 .]" 5
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 11:11:50 AM GMT (wattos1)