NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396339 |
1sb0   |
6095 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sb0
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 1225
_Distance_constraint_stats_list.Viol_count 3062
_Distance_constraint_stats_list.Viol_total 2354.094
_Distance_constraint_stats_list.Viol_max 0.303
_Distance_constraint_stats_list.Viol_rms 0.0161
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0384
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 0.502 0.062 20 0 "[ . 1 . 2]"
1 3 ARG 1.788 0.162 8 0 "[ . 1 . 2]"
1 4 LYS 5.287 0.162 8 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 TRP 2.798 0.140 17 0 "[ . 1 . 2]"
1 7 HIS 0.973 0.166 11 0 "[ . 1 . 2]"
1 8 GLU 3.957 0.303 6 0 "[ . 1 . 2]"
1 9 HIS 3.661 0.109 9 0 "[ . 1 . 2]"
1 10 VAL 1.230 0.098 4 0 "[ . 1 . 2]"
1 11 THR 1.359 0.098 4 0 "[ . 1 . 2]"
1 12 GLN 2.993 0.093 8 0 "[ . 1 . 2]"
1 13 ASP 2.807 0.142 4 0 "[ . 1 . 2]"
1 14 LEU 1.861 0.083 3 0 "[ . 1 . 2]"
1 15 ARG 0.215 0.101 16 0 "[ . 1 . 2]"
1 16 SER 2.130 0.142 4 0 "[ . 1 . 2]"
1 17 HIS 0.895 0.220 13 0 "[ . 1 . 2]"
1 18 LEU 3.136 0.102 9 0 "[ . 1 . 2]"
1 19 VAL 3.080 0.112 13 0 "[ . 1 . 2]"
1 20 HIS 3.446 0.220 13 0 "[ . 1 . 2]"
1 21 LYS 2.628 0.143 13 0 "[ . 1 . 2]"
1 22 LEU 3.079 0.105 8 0 "[ . 1 . 2]"
1 23 VAL 2.777 0.089 18 0 "[ . 1 . 2]"
1 24 GLN 2.766 0.163 6 0 "[ . 1 . 2]"
1 25 ALA 0.218 0.091 17 0 "[ . 1 . 2]"
1 26 ILE 1.554 0.082 3 0 "[ . 1 . 2]"
1 27 PHE 1.560 0.089 18 0 "[ . 1 . 2]"
1 28 PRO 1.670 0.163 6 0 "[ . 1 . 2]"
1 29 THR 1.524 0.134 11 0 "[ . 1 . 2]"
1 30 PRO 0.729 0.134 11 0 "[ . 1 . 2]"
1 31 ASP 1.135 0.132 3 0 "[ . 1 . 2]"
1 32 PRO 0.276 0.046 17 0 "[ . 1 . 2]"
1 33 ALA 0.670 0.043 3 0 "[ . 1 . 2]"
1 34 ALA 1.494 0.058 11 0 "[ . 1 . 2]"
1 35 LEU 0.198 0.031 17 0 "[ . 1 . 2]"
1 36 LYS 2.112 0.083 12 0 "[ . 1 . 2]"
1 37 ASP 0.083 0.083 12 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 MET 1.685 0.092 13 0 "[ . 1 . 2]"
1 41 GLU 1.234 0.072 9 0 "[ . 1 . 2]"
1 42 ASN 1.890 0.107 8 0 "[ . 1 . 2]"
1 43 LEU 2.841 0.107 8 0 "[ . 1 . 2]"
1 44 VAL 1.873 0.069 18 0 "[ . 1 . 2]"
1 45 ALA 0.049 0.043 16 0 "[ . 1 . 2]"
1 46 TYR 1.597 0.074 3 0 "[ . 1 . 2]"
1 47 ALA 0.598 0.076 7 0 "[ . 1 . 2]"
1 48 LYS 0.406 0.035 1 0 "[ . 1 . 2]"
1 49 LYS 3.812 0.116 3 0 "[ . 1 . 2]"
1 50 VAL 3.409 0.116 3 0 "[ . 1 . 2]"
1 51 GLU 3.145 0.112 13 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASP 1.209 0.044 18 0 "[ . 1 . 2]"
1 54 MET 3.168 0.082 3 0 "[ . 1 . 2]"
1 55 TYR 0.458 0.055 11 0 "[ . 1 . 2]"
1 56 GLU 4.368 0.100 9 0 "[ . 1 . 2]"
1 57 SER 0.213 0.033 16 0 "[ . 1 . 2]"
1 58 ALA 1.157 0.084 18 0 "[ . 1 . 2]"
1 59 ASN 0.431 0.082 7 0 "[ . 1 . 2]"
1 60 SER 0.576 0.100 20 0 "[ . 1 . 2]"
1 61 ARG 3.414 0.140 6 0 "[ . 1 . 2]"
1 62 ASP 2.526 0.140 6 0 "[ . 1 . 2]"
1 63 GLU 1.091 0.084 18 0 "[ . 1 . 2]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TYR 0.206 0.060 11 0 "[ . 1 . 2]"
1 66 HIS 0.541 0.030 17 0 "[ . 1 . 2]"
1 67 LEU 2.119 0.058 12 0 "[ . 1 . 2]"
1 68 LEU 2.829 0.103 10 0 "[ . 1 . 2]"
1 69 ALA 1.112 0.063 1 0 "[ . 1 . 2]"
1 70 GLU 1.194 0.059 10 0 "[ . 1 . 2]"
1 71 LYS 4.438 0.063 3 0 "[ . 1 . 2]"
1 72 ILE 3.661 0.083 9 0 "[ . 1 . 2]"
1 73 TYR 7.285 0.130 8 0 "[ . 1 . 2]"
1 74 LYS 4.769 0.130 8 0 "[ . 1 . 2]"
1 75 ILE 3.854 0.131 7 0 "[ . 1 . 2]"
1 76 GLN 1.760 0.091 17 0 "[ . 1 . 2]"
1 77 LYS 4.142 0.144 14 0 "[ . 1 . 2]"
1 78 GLU 5.474 0.144 14 0 "[ . 1 . 2]"
1 79 LEU 1.410 0.096 3 0 "[ . 1 . 2]"
1 80 GLU 0.303 0.096 3 0 "[ . 1 . 2]"
1 81 GLU 1.186 0.147 3 0 "[ . 1 . 2]"
1 82 LYS 0.530 0.107 3 0 "[ . 1 . 2]"
1 84 ARG 2.594 0.205 7 0 "[ . 1 . 2]"
1 85 SER 1.524 0.205 7 0 "[ . 1 . 2]"
1 86 ARG 1.661 0.251 9 0 "[ . 1 . 2]"
1 87 LEU 0.334 0.062 9 0 "[ . 1 . 2]"
2 1 LYS 0.555 0.126 15 0 "[ . 1 . 2]"
2 2 GLU 3.062 0.158 12 0 "[ . 1 . 2]"
2 3 LYS 1.881 0.075 5 0 "[ . 1 . 2]"
2 4 ARG 5.051 0.165 12 0 "[ . 1 . 2]"
2 5 ILE 0.727 0.138 11 0 "[ . 1 . 2]"
2 6 LYS 1.164 0.109 16 0 "[ . 1 . 2]"
2 7 GLU 0.721 0.165 12 0 "[ . 1 . 2]"
2 8 LEU 2.813 0.120 8 0 "[ . 1 . 2]"
2 9 GLU 2.547 0.109 16 0 "[ . 1 . 2]"
2 10 LEU 0.260 0.050 4 0 "[ . 1 . 2]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 LEU 2.966 0.143 13 0 "[ . 1 . 2]"
2 13 MET 0.608 0.102 9 0 "[ . 1 . 2]"
2 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 THR 0.252 0.048 11 0 "[ . 1 . 2]"
2 16 GLU 1.786 0.105 11 0 "[ . 1 . 2]"
2 17 ASN 1.088 0.094 11 0 "[ . 1 . 2]"
2 18 GLU 0.036 0.036 7 0 "[ . 1 . 2]"
2 19 LEU 1.494 0.130 5 0 "[ . 1 . 2]"
2 20 LYS 0.720 0.130 5 0 "[ . 1 . 2]"
2 21 GLY 0.227 0.115 17 0 "[ . 1 . 2]"
2 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 VAL H . . 4.500 2.361 2.172 2.559 . 0 0 "[ . 1 . 2]" 1
2 1 2 VAL HA 1 2 VAL HB . . 3.000 2.651 2.446 3.034 0.034 17 0 "[ . 1 . 2]" 1
3 1 2 VAL HA 1 2 VAL MG1 . . 3.000 2.310 2.223 2.432 . 0 0 "[ . 1 . 2]" 1
4 1 2 VAL HA 1 3 ARG H . . 3.500 2.656 2.183 3.562 0.062 20 0 "[ . 1 . 2]" 1
5 1 2 VAL HB 1 3 ARG H . . 4.500 3.836 2.120 4.512 0.012 7 0 "[ . 1 . 2]" 1
6 1 2 VAL MG1 1 3 ARG H . . 4.500 3.966 2.803 4.398 . 0 0 "[ . 1 . 2]" 1
7 1 3 ARG HA 1 3 ARG HG3 . . 4.000 3.461 2.497 4.010 0.010 9 0 "[ . 1 . 2]" 1
8 1 3 ARG H 1 3 ARG HG2 . . 4.500 3.082 1.986 4.608 0.108 7 0 "[ . 1 . 2]" 1
9 1 3 ARG H 1 3 ARG QB . . 3.500 2.552 2.188 3.212 . 0 0 "[ . 1 . 2]" 1
10 1 3 ARG H 1 3 ARG QD . . 5.500 3.967 2.605 5.359 . 0 0 "[ . 1 . 2]" 1
11 1 3 ARG HA 1 4 LYS H . . 3.500 3.148 2.158 3.601 0.101 20 0 "[ . 1 . 2]" 1
12 1 3 ARG HG2 1 4 LYS H . . 4.500 3.706 2.115 4.662 0.162 8 0 "[ . 1 . 2]" 1
13 1 3 ARG QB 1 4 LYS H . . 4.500 3.121 1.997 4.094 . 0 0 "[ . 1 . 2]" 1
14 1 3 ARG QD 1 4 LYS H . . 5.500 4.483 2.689 5.521 0.021 11 0 "[ . 1 . 2]" 1
15 1 3 ARG QB 1 7 HIS QB . . 5.000 4.197 2.451 5.061 0.061 17 0 "[ . 1 . 2]" 1
16 1 4 LYS HA 1 4 LYS HB2 . . 3.000 2.922 2.598 3.037 0.037 1 0 "[ . 1 . 2]" 1
17 1 4 LYS HA 1 4 LYS HD2 . . 3.000 2.950 2.229 3.133 0.133 10 0 "[ . 1 . 2]" 1
18 1 4 LYS HB2 1 4 LYS HE3 . . 5.000 4.304 2.851 4.894 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS HD2 1 4 LYS HE2 . . 3.000 2.816 2.426 3.046 0.046 8 0 "[ . 1 . 2]" 1
20 1 4 LYS HA 1 4 LYS HD3 . . 5.000 2.472 2.148 4.141 . 0 0 "[ . 1 . 2]" 1
21 1 4 LYS HD3 1 4 LYS HE2 . . 3.000 2.469 2.382 3.033 0.033 17 0 "[ . 1 . 2]" 1
22 1 4 LYS HD3 1 4 LYS HG2 . . 3.000 2.541 2.403 2.957 . 0 0 "[ . 1 . 2]" 1
23 1 4 LYS HD2 1 4 LYS HE3 . . 3.000 2.696 2.455 3.050 0.050 7 0 "[ . 1 . 2]" 1
24 1 4 LYS HD3 1 4 LYS HE3 . . 3.000 2.803 2.351 3.053 0.053 8 0 "[ . 1 . 2]" 1
25 1 4 LYS H 1 4 LYS HD3 . . 5.500 4.259 3.106 4.714 . 0 0 "[ . 1 . 2]" 1
26 1 4 LYS HA 1 5 GLY H . . 3.500 2.911 2.260 3.315 . 0 0 "[ . 1 . 2]" 1
27 1 4 LYS HA 1 6 TRP HE1 . . 5.500 4.825 4.516 5.185 . 0 0 "[ . 1 . 2]" 1
28 1 4 LYS HA 1 6 TRP H . . 5.500 4.432 4.013 4.633 . 0 0 "[ . 1 . 2]" 1
29 1 4 LYS HB2 1 6 TRP HE1 . . 4.500 3.543 2.502 4.494 . 0 0 "[ . 1 . 2]" 1
30 1 4 LYS HB2 1 6 TRP H . . 5.500 4.075 3.167 5.285 . 0 0 "[ . 1 . 2]" 1
31 1 4 LYS HD2 1 6 TRP HE1 . . 4.500 3.382 2.283 4.575 0.075 10 0 "[ . 1 . 2]" 1
32 1 4 LYS HD3 1 6 TRP HE1 . . 4.500 4.429 3.192 4.640 0.140 17 0 "[ . 1 . 2]" 1
33 1 4 LYS HG3 1 6 TRP HE1 . . 4.500 2.657 2.140 4.087 . 0 0 "[ . 1 . 2]" 1
34 1 4 LYS HD2 1 59 ASN HA . . 5.000 3.298 2.215 5.025 0.025 10 0 "[ . 1 . 2]" 1
35 1 5 GLY HA3 1 6 TRP H . . 3.500 2.586 2.422 2.854 . 0 0 "[ . 1 . 2]" 1
36 1 4 LYS HA 1 6 TRP HD1 . . 5.000 4.700 4.302 5.004 0.004 7 0 "[ . 1 . 2]" 1
37 1 4 LYS HB2 1 6 TRP HD1 . . 5.000 4.094 3.072 5.052 0.052 7 0 "[ . 1 . 2]" 1
38 1 4 LYS HB3 1 6 TRP HD1 . . 5.000 2.903 2.273 3.586 . 0 0 "[ . 1 . 2]" 1
39 1 6 TRP HB3 1 6 TRP HE1 . . 5.500 4.796 4.756 4.852 . 0 0 "[ . 1 . 2]" 1
40 1 6 TRP H 1 6 TRP HB3 . . 3.500 2.524 2.399 2.688 . 0 0 "[ . 1 . 2]" 1
41 1 6 TRP HA 1 7 HIS H . . 4.500 3.458 3.331 3.532 . 0 0 "[ . 1 . 2]" 1
42 1 6 TRP H 1 7 HIS H . . 3.500 2.719 2.519 2.906 . 0 0 "[ . 1 . 2]" 1
43 1 6 TRP HA 1 8 GLU H . . 5.500 3.916 3.512 4.484 . 0 0 "[ . 1 . 2]" 1
44 1 6 TRP HA 1 9 HIS HD2 . . 5.000 4.149 2.415 5.074 0.074 10 0 "[ . 1 . 2]" 1
45 1 6 TRP HA 1 9 HIS H . . 5.500 3.634 3.244 4.140 . 0 0 "[ . 1 . 2]" 1
46 1 6 TRP HE3 1 10 VAL MG2 . . 3.000 2.310 2.127 2.639 . 0 0 "[ . 1 . 2]" 1
47 1 6 TRP HZ3 1 10 VAL MG1 . . 5.000 2.494 2.197 3.111 . 0 0 "[ . 1 . 2]" 1
48 1 6 TRP HZ3 1 10 VAL MG2 . . 4.000 2.180 2.117 2.269 . 0 0 "[ . 1 . 2]" 1
49 1 6 TRP HZ3 1 55 TYR QD . . 5.000 3.819 3.196 4.338 . 0 0 "[ . 1 . 2]" 1
50 1 6 TRP HE1 1 58 ALA MB . . 4.500 3.529 3.263 3.833 . 0 0 "[ . 1 . 2]" 1
51 1 6 TRP HH2 1 58 ALA MB . . 5.000 3.367 2.934 3.785 . 0 0 "[ . 1 . 2]" 1
52 1 6 TRP HE1 1 59 ASN HA . . 3.500 3.049 2.184 3.522 0.022 2 0 "[ . 1 . 2]" 1
53 1 6 TRP HD1 1 60 SER HA . . 5.000 2.547 2.416 2.773 . 0 0 "[ . 1 . 2]" 1
54 1 6 TRP HD1 1 60 SER QB . . 5.500 4.369 4.127 4.831 . 0 0 "[ . 1 . 2]" 1
55 1 6 TRP HE1 1 60 SER HA . . 4.500 3.590 3.245 4.180 . 0 0 "[ . 1 . 2]" 1
56 1 6 TRP HB2 1 61 ARG H . . 4.500 2.833 2.297 3.315 . 0 0 "[ . 1 . 2]" 1
57 1 6 TRP HB3 1 61 ARG HB2 . . 5.000 3.738 3.531 4.305 . 0 0 "[ . 1 . 2]" 1
58 1 6 TRP HB3 1 61 ARG HB3 . . 5.000 4.535 4.074 4.965 . 0 0 "[ . 1 . 2]" 1
59 1 6 TRP HE3 1 61 ARG HA . . 5.000 3.182 2.906 3.380 . 0 0 "[ . 1 . 2]" 1
60 1 6 TRP HE3 1 61 ARG HB2 . . 5.000 2.673 2.375 3.009 . 0 0 "[ . 1 . 2]" 1
61 1 6 TRP HE3 1 61 ARG HG2 . . 5.000 4.900 4.371 5.042 0.042 2 0 "[ . 1 . 2]" 1
62 1 6 TRP HZ3 1 61 ARG HD2 . . 5.000 4.944 4.653 5.066 0.066 9 0 "[ . 1 . 2]" 1
63 1 6 TRP HH2 1 64 TYR HB2 . . 5.000 2.944 2.638 3.197 . 0 0 "[ . 1 . 2]" 1
64 1 2 VAL HB 1 7 HIS QB . . 4.000 3.354 2.075 4.053 0.053 12 0 "[ . 1 . 2]" 1
65 1 3 ARG HG2 1 7 HIS QB . . 5.000 4.552 2.784 5.054 0.054 20 0 "[ . 1 . 2]" 1
66 1 6 TRP HE3 1 7 HIS HA . . 5.000 3.501 3.142 4.023 . 0 0 "[ . 1 . 2]" 1
67 1 7 HIS HA 1 7 HIS HD2 . . 5.000 3.600 2.212 4.609 . 0 0 "[ . 1 . 2]" 1
68 1 7 HIS H 1 7 HIS QB . . 3.500 2.289 2.112 2.518 . 0 0 "[ . 1 . 2]" 1
69 1 7 HIS HA 1 8 GLU H . . 4.500 3.573 3.466 3.624 . 0 0 "[ . 1 . 2]" 1
70 1 7 HIS H 1 8 GLU HB3 . . 5.500 5.122 4.568 5.666 0.166 11 0 "[ . 1 . 2]" 1
71 1 7 HIS H 1 8 GLU H . . 3.500 2.913 2.391 3.179 . 0 0 "[ . 1 . 2]" 1
72 1 7 HIS QB 1 8 GLU H . . 3.500 2.886 2.463 3.398 . 0 0 "[ . 1 . 2]" 1
73 1 7 HIS HA 1 9 HIS H . . 5.500 3.956 3.596 4.205 . 0 0 "[ . 1 . 2]" 1
74 1 7 HIS HA 1 10 VAL HB . . 5.000 3.124 2.610 4.192 . 0 0 "[ . 1 . 2]" 1
75 1 7 HIS HA 1 55 TYR QE . . 5.000 3.395 2.891 3.856 . 0 0 "[ . 1 . 2]" 1
76 1 7 HIS QB 1 55 TYR QD . . 5.000 4.801 4.140 5.055 0.055 11 0 "[ . 1 . 2]" 1
77 1 8 GLU HA 1 8 GLU HB2 . . 3.000 2.505 2.347 3.026 0.026 11 0 "[ . 1 . 2]" 1
78 1 8 GLU HA 1 8 GLU HB3 . . 3.000 2.739 2.357 3.048 0.048 8 0 "[ . 1 . 2]" 1
79 1 8 GLU H 1 8 GLU HB2 . . 3.500 2.843 1.959 3.560 0.060 1 0 "[ . 1 . 2]" 1
80 1 8 GLU H 1 8 GLU QG . . 3.500 2.991 1.970 3.803 0.303 6 0 "[ . 1 . 2]" 1
81 1 8 GLU HA 1 9 HIS H . . 3.500 3.543 3.496 3.567 0.067 11 0 "[ . 1 . 2]" 1
82 1 8 GLU HB2 1 9 HIS H . . 4.500 3.936 2.723 4.255 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLU HB3 1 9 HIS H . . 4.500 3.474 2.586 4.330 . 0 0 "[ . 1 . 2]" 1
84 1 8 GLU H 1 9 HIS H . . 3.500 2.898 2.748 3.205 . 0 0 "[ . 1 . 2]" 1
85 1 8 GLU QG 1 9 HIS H . . 5.500 3.197 2.236 4.312 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLU HA 1 10 VAL H . . 5.500 4.338 3.692 5.205 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLU HA 1 9 HIS HA . . 5.000 4.745 4.612 4.827 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLU HB2 1 9 HIS HD2 . . 5.000 4.267 2.571 4.968 . 0 0 "[ . 1 . 2]" 1
89 1 9 HIS HA 1 9 HIS HB3 . . 3.000 2.414 2.245 2.589 . 0 0 "[ . 1 . 2]" 1
90 1 9 HIS HA 1 9 HIS HD2 . . 4.000 3.144 2.447 4.092 0.092 14 0 "[ . 1 . 2]" 1
91 1 9 HIS H 1 9 HIS HB3 . . 3.500 3.552 3.284 3.609 0.109 9 0 "[ . 1 . 2]" 1
92 1 9 HIS HA 1 10 VAL H . . 3.500 3.450 3.131 3.584 0.084 8 0 "[ . 1 . 2]" 1
93 1 9 HIS HB3 1 10 VAL H . . 5.500 4.011 3.151 4.705 . 0 0 "[ . 1 . 2]" 1
94 1 9 HIS H 1 10 VAL MG2 . . 5.500 3.852 3.354 4.186 . 0 0 "[ . 1 . 2]" 1
95 1 9 HIS HB2 1 10 VAL MG2 . . 5.000 2.821 2.309 4.030 . 0 0 "[ . 1 . 2]" 1
96 1 10 VAL HA 1 10 VAL MG1 . . 3.000 2.406 2.293 2.561 . 0 0 "[ . 1 . 2]" 1
97 1 10 VAL HA 1 10 VAL MG2 . . 3.000 2.314 2.228 2.418 . 0 0 "[ . 1 . 2]" 1
98 1 10 VAL H 1 10 VAL HB . . 3.500 2.588 2.352 2.822 . 0 0 "[ . 1 . 2]" 1
99 1 10 VAL H 1 10 VAL MG1 . . 4.500 3.847 3.729 3.934 . 0 0 "[ . 1 . 2]" 1
100 1 10 VAL H 1 10 VAL MG2 . . 3.500 2.673 2.234 3.170 . 0 0 "[ . 1 . 2]" 1
101 1 10 VAL MG1 1 10 VAL MG2 . . 3.000 2.074 2.058 2.097 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL HA 1 11 THR H . . 3.500 2.192 2.156 2.215 . 0 0 "[ . 1 . 2]" 1
103 1 10 VAL H 1 11 THR MG . . 5.500 4.390 3.651 4.990 . 0 0 "[ . 1 . 2]" 1
104 1 10 VAL MG1 1 11 THR H . . 3.500 3.446 2.801 3.598 0.098 4 0 "[ . 1 . 2]" 1
105 1 10 VAL MG2 1 11 THR H . . 4.500 4.169 3.930 4.270 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL HA 1 14 LEU MD2 . . 3.000 2.257 2.153 2.424 . 0 0 "[ . 1 . 2]" 1
107 1 10 VAL MG1 1 14 LEU MD2 . . 3.000 2.260 2.178 2.635 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL MG2 1 14 LEU MD2 . . 3.000 2.355 2.159 2.695 . 0 0 "[ . 1 . 2]" 1
109 1 10 VAL MG1 1 15 ARG H . . 4.500 3.254 2.874 3.589 . 0 0 "[ . 1 . 2]" 1
110 1 10 VAL HB 1 55 TYR QE . . 4.000 2.687 2.254 3.580 . 0 0 "[ . 1 . 2]" 1
111 1 10 VAL MG1 1 55 TYR QE . . 3.000 2.294 2.087 2.860 . 0 0 "[ . 1 . 2]" 1
112 1 10 VAL MG2 1 55 TYR QE . . 4.000 3.883 3.490 4.016 0.016 10 0 "[ . 1 . 2]" 1
113 1 10 VAL MG1 1 61 ARG HD2 . . 5.000 4.919 4.553 5.047 0.047 7 0 "[ . 1 . 2]" 1
114 1 10 VAL MG2 1 61 ARG HB2 . . 4.000 3.321 2.641 3.949 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL MG2 1 61 ARG HD2 . . 5.000 2.427 2.143 2.696 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL MG2 1 61 ARG HD3 . . 5.000 3.725 2.966 4.092 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL MG2 1 61 ARG HG3 . . 3.000 2.498 2.194 2.984 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL MG1 1 64 TYR QD . . 5.000 3.603 2.953 4.282 . 0 0 "[ . 1 . 2]" 1
119 1 10 VAL MG2 1 65 TYR QE . . 5.000 3.432 2.629 4.815 . 0 0 "[ . 1 . 2]" 1
120 1 11 THR HA 1 11 THR MG . . 3.000 2.301 2.273 2.346 . 0 0 "[ . 1 . 2]" 1
121 1 11 THR HA 1 11 THR HB . . 3.000 2.546 2.504 2.610 . 0 0 "[ . 1 . 2]" 1
122 1 11 THR H 1 11 THR MG . . 3.500 2.385 2.153 2.548 . 0 0 "[ . 1 . 2]" 1
123 1 11 THR HA 1 12 GLN H . . 3.500 2.334 2.266 2.444 . 0 0 "[ . 1 . 2]" 1
124 1 11 THR HB 1 12 GLN H . . 3.500 2.468 2.304 2.577 . 0 0 "[ . 1 . 2]" 1
125 1 11 THR MG 1 12 GLN H . . 3.500 3.538 3.485 3.580 0.080 13 0 "[ . 1 . 2]" 1
126 1 11 THR HB 1 13 ASP HB2 . . 5.000 4.180 3.156 5.023 0.023 16 0 "[ . 1 . 2]" 1
127 1 11 THR HB 1 13 ASP H . . 3.500 2.787 2.475 3.027 . 0 0 "[ . 1 . 2]" 1
128 1 11 THR MG 1 13 ASP H . . 4.500 4.371 4.122 4.540 0.040 14 0 "[ . 1 . 2]" 1
129 1 11 THR H 1 14 LEU HB3 . . 3.500 2.917 2.261 3.280 . 0 0 "[ . 1 . 2]" 1
130 1 12 GLN HA 1 12 GLN HB2 . . 3.000 2.763 2.438 3.046 0.046 10 0 "[ . 1 . 2]" 1
131 1 12 GLN HA 1 12 GLN QG . . 3.000 2.728 2.298 3.055 0.055 16 0 "[ . 1 . 2]" 1
132 1 12 GLN HA 1 12 GLN HB3 . . 3.000 2.774 2.431 3.044 0.044 15 0 "[ . 1 . 2]" 1
133 1 12 GLN HE22 1 12 GLN QG . . 3.500 3.349 3.253 3.472 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLN H 1 12 GLN HB3 . . 3.500 3.086 2.512 3.550 0.050 13 0 "[ . 1 . 2]" 1
135 1 12 GLN H 1 12 GLN QG . . 4.000 3.274 2.049 4.048 0.048 4 0 "[ . 1 . 2]" 1
136 1 12 GLN HA 1 13 ASP H . . 5.500 3.584 3.538 3.621 . 0 0 "[ . 1 . 2]" 1
137 1 12 GLN HB3 1 13 ASP H . . 3.500 3.128 2.607 3.593 0.093 8 0 "[ . 1 . 2]" 1
138 1 12 GLN H 1 13 ASP H . . 3.500 2.904 2.643 3.096 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLN QG 1 13 ASP H . . 4.500 4.144 3.546 4.540 0.040 1 0 "[ . 1 . 2]" 1
140 1 12 GLN HA 1 15 ARG H . . 3.500 3.397 3.250 3.574 0.074 16 0 "[ . 1 . 2]" 1
141 1 12 GLN HA 1 16 SER H . . 5.500 3.845 3.720 4.044 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLN HB3 1 16 SER H . . 5.500 5.119 4.626 5.515 0.015 11 0 "[ . 1 . 2]" 1
143 1 13 ASP H 1 13 ASP HB2 . . 3.500 2.676 2.494 3.585 0.085 10 0 "[ . 1 . 2]" 1
144 1 13 ASP H 1 13 ASP HB3 . . 3.500 3.107 2.473 3.563 0.063 1 0 "[ . 1 . 2]" 1
145 1 13 ASP HA 1 14 LEU H . . 4.500 3.627 3.598 3.690 . 0 0 "[ . 1 . 2]" 1
146 1 13 ASP HB2 1 14 LEU H . . 4.500 3.110 2.266 4.007 . 0 0 "[ . 1 . 2]" 1
147 1 13 ASP HB3 1 14 LEU H . . 4.500 3.344 2.437 4.208 . 0 0 "[ . 1 . 2]" 1
148 1 13 ASP H 1 14 LEU H . . 3.500 2.868 2.728 2.989 . 0 0 "[ . 1 . 2]" 1
149 1 13 ASP HA 1 16 SER HB2 . . 4.000 2.822 2.478 3.961 . 0 0 "[ . 1 . 2]" 1
150 1 13 ASP HA 1 16 SER HB3 . . 4.000 3.885 2.976 4.142 0.142 4 0 "[ . 1 . 2]" 1
151 1 13 ASP HA 1 16 SER H . . 4.500 3.525 3.257 3.841 . 0 0 "[ . 1 . 2]" 1
152 1 10 VAL HA 1 14 LEU HB2 . . 5.000 4.102 3.865 4.486 . 0 0 "[ . 1 . 2]" 1
153 1 10 VAL MG1 1 14 LEU HB2 . . 5.000 3.948 3.705 4.188 . 0 0 "[ . 1 . 2]" 1
154 1 10 VAL MG1 1 14 LEU HB3 . . 5.000 2.667 2.354 2.998 . 0 0 "[ . 1 . 2]" 1
155 1 10 VAL MG1 1 14 LEU HG . . 5.000 2.364 2.209 2.672 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU HA 1 14 LEU MD2 . . 4.000 3.799 3.726 3.851 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU HB2 1 14 LEU HG . . 3.000 3.028 3.019 3.036 0.036 11 0 "[ . 1 . 2]" 1
158 1 14 LEU H 1 14 LEU HB2 . . 3.500 2.664 2.482 2.768 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU H 1 14 LEU HB3 . . 3.500 2.424 2.357 2.514 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU H 1 14 LEU MD1 . . 5.500 4.266 4.164 4.314 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU H 1 14 LEU MD2 . . 5.500 4.276 4.158 4.360 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU HA 1 14 LEU MD1 . . 3.000 2.186 2.146 2.221 . 0 0 "[ . 1 . 2]" 1
163 1 14 LEU MD1 1 14 LEU MD2 . . 3.000 2.070 2.051 2.090 . 0 0 "[ . 1 . 2]" 1
164 1 14 LEU HA 1 15 ARG H . . 5.500 3.609 3.587 3.669 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU HB2 1 15 ARG H . . 4.500 4.023 3.927 4.091 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU H 1 15 ARG H . . 3.500 2.669 2.513 2.940 . 0 0 "[ . 1 . 2]" 1
167 1 14 LEU HA 1 17 HIS HB2 . . 4.000 3.244 2.828 3.652 . 0 0 "[ . 1 . 2]" 1
168 1 14 LEU HA 1 17 HIS HB3 . . 5.000 2.729 2.401 3.156 . 0 0 "[ . 1 . 2]" 1
169 1 14 LEU MD1 1 18 LEU HA . . 5.000 4.325 4.176 4.504 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU MD1 1 18 LEU HB2 . . 4.000 4.048 4.018 4.073 0.073 16 0 "[ . 1 . 2]" 1
171 1 14 LEU MD1 1 18 LEU HG . . 3.000 2.165 2.100 2.283 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU MD2 1 65 TYR QE . . 5.000 3.227 2.535 4.017 . 0 0 "[ . 1 . 2]" 1
173 1 14 LEU HA 2 15 THR MG . . 5.500 3.959 3.566 4.560 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU MD1 2 15 THR MG . . 3.500 2.159 1.989 2.437 . 0 0 "[ . 1 . 2]" 1
175 1 14 LEU MD2 2 15 THR MG . . 4.500 4.102 3.922 4.354 . 0 0 "[ . 1 . 2]" 1
176 1 14 LEU MD1 2 16 GLU HA . . 4.500 3.076 2.404 3.633 . 0 0 "[ . 1 . 2]" 1
177 1 14 LEU MD1 2 16 GLU HB3 . . 5.500 3.900 2.541 5.530 0.030 4 0 "[ . 1 . 2]" 1
178 1 14 LEU MD1 2 16 GLU HG2 . . 5.500 4.482 2.938 5.434 . 0 0 "[ . 1 . 2]" 1
179 1 14 LEU MD2 2 16 GLU HA . . 5.500 3.527 3.103 4.060 . 0 0 "[ . 1 . 2]" 1
180 1 14 LEU MD2 2 16 GLU HB2 . . 5.500 4.331 3.085 5.583 0.083 3 0 "[ . 1 . 2]" 1
181 1 14 LEU MD2 2 16 GLU HB3 . . 5.500 3.493 2.261 5.108 . 0 0 "[ . 1 . 2]" 1
182 1 14 LEU MD2 2 16 GLU HG2 . . 5.500 4.443 2.721 5.546 0.046 6 0 "[ . 1 . 2]" 1
183 1 14 LEU HA 2 19 LEU MD1 . . 5.500 3.126 2.129 4.896 . 0 0 "[ . 1 . 2]" 1
184 1 14 LEU HA 2 19 LEU MD2 . . 4.500 2.866 2.104 3.682 . 0 0 "[ . 1 . 2]" 1
185 1 14 LEU HB3 2 19 LEU MD2 . . 5.500 3.974 3.451 5.514 0.014 11 0 "[ . 1 . 2]" 1
186 1 14 LEU MD1 2 19 LEU MD1 . . 5.500 2.879 2.070 3.708 . 0 0 "[ . 1 . 2]" 1
187 1 14 LEU MD1 2 19 LEU MD2 . . 4.500 2.208 1.991 3.523 . 0 0 "[ . 1 . 2]" 1
188 1 14 LEU MD2 2 19 LEU MD2 . . 5.500 2.994 2.132 5.060 . 0 0 "[ . 1 . 2]" 1
189 1 10 VAL MG1 1 15 ARG HG2 . . 5.000 2.731 2.463 3.645 . 0 0 "[ . 1 . 2]" 1
190 1 10 VAL MG1 1 15 ARG HG3 . . 5.000 2.487 2.104 4.774 . 0 0 "[ . 1 . 2]" 1
191 1 15 ARG H 1 15 ARG HG3 . . 3.500 2.231 2.032 3.444 . 0 0 "[ . 1 . 2]" 1
192 1 15 ARG HB2 1 16 SER H . . 4.500 2.562 2.334 3.934 . 0 0 "[ . 1 . 2]" 1
193 1 15 ARG HB3 1 16 SER H . . 4.500 3.562 3.363 4.234 . 0 0 "[ . 1 . 2]" 1
194 1 15 ARG HG3 1 16 SER H . . 4.500 4.210 2.799 4.499 . 0 0 "[ . 1 . 2]" 1
195 1 15 ARG H 1 16 SER H . . 4.500 2.844 2.788 2.887 . 0 0 "[ . 1 . 2]" 1
196 1 15 ARG HA 1 18 LEU HB2 . . 4.000 2.642 2.244 2.837 . 0 0 "[ . 1 . 2]" 1
197 1 15 ARG HA 1 18 LEU HB3 . . 5.000 4.237 3.891 4.457 . 0 0 "[ . 1 . 2]" 1
198 1 15 ARG HA 1 18 LEU H . . 5.500 3.566 3.094 3.693 . 0 0 "[ . 1 . 2]" 1
199 1 15 ARG H 1 18 LEU HB2 . . 5.500 5.009 4.879 5.154 . 0 0 "[ . 1 . 2]" 1
200 1 15 ARG H 1 18 LEU MD1 . . 4.500 4.125 3.917 4.305 . 0 0 "[ . 1 . 2]" 1
201 1 15 ARG HB3 1 19 VAL H . . 5.500 4.892 4.725 5.601 0.101 16 0 "[ . 1 . 2]" 1
202 1 15 ARG HB3 1 19 VAL MG2 . . 5.000 3.725 3.487 5.008 0.008 16 0 "[ . 1 . 2]" 1
203 1 16 SER HA 1 16 SER HB2 . . 3.000 2.928 2.453 3.043 0.043 13 0 "[ . 1 . 2]" 1
204 1 16 SER H 1 17 HIS H . . 3.500 2.808 2.741 2.870 . 0 0 "[ . 1 . 2]" 1
205 1 16 SER HA 1 19 VAL HB . . 3.000 2.493 2.384 2.826 . 0 0 "[ . 1 . 2]" 1
206 1 16 SER HA 1 19 VAL MG1 . . 5.000 3.693 3.452 3.934 . 0 0 "[ . 1 . 2]" 1
207 1 16 SER HA 1 19 VAL MG2 . . 4.000 3.253 3.034 3.629 . 0 0 "[ . 1 . 2]" 1
208 1 16 SER H 1 19 VAL HB . . 5.500 4.918 4.732 5.120 . 0 0 "[ . 1 . 2]" 1
209 1 14 LEU MD1 1 17 HIS HB2 . . 5.000 3.943 3.575 4.427 . 0 0 "[ . 1 . 2]" 1
210 1 14 LEU MD1 1 17 HIS HB3 . . 5.000 2.649 2.237 3.271 . 0 0 "[ . 1 . 2]" 1
211 1 17 HIS HA 1 17 HIS HD2 . . 5.000 3.079 2.328 4.627 . 0 0 "[ . 1 . 2]" 1
212 1 17 HIS H 1 17 HIS HB2 . . 3.500 2.320 2.213 2.411 . 0 0 "[ . 1 . 2]" 1
213 1 17 HIS H 1 17 HIS HB3 . . 3.500 2.677 2.530 2.843 . 0 0 "[ . 1 . 2]" 1
214 1 17 HIS HB2 1 18 LEU H . . 5.500 3.817 3.623 3.980 . 0 0 "[ . 1 . 2]" 1
215 1 17 HIS HB3 1 18 LEU H . . 5.500 2.674 2.442 2.937 . 0 0 "[ . 1 . 2]" 1
216 1 17 HIS HD2 1 18 LEU HA . . 5.000 4.438 3.366 5.008 0.008 2 0 "[ . 1 . 2]" 1
217 1 17 HIS H 1 18 LEU H . . 4.500 2.748 2.621 2.858 . 0 0 "[ . 1 . 2]" 1
218 1 17 HIS HA 1 20 HIS HD2 . . 5.000 4.441 3.417 5.220 0.220 13 0 "[ . 1 . 2]" 1
219 1 17 HIS HA 1 20 HIS H . . 4.500 3.326 2.981 3.666 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU HA 1 18 LEU HB3 . . 3.000 2.572 2.542 2.608 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU HA 1 18 LEU MD1 . . 4.000 3.844 3.803 3.883 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU HB3 1 18 LEU MD1 . . 3.000 2.464 2.420 2.503 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU H 1 18 LEU HB2 . . 3.500 2.336 2.276 2.415 . 0 0 "[ . 1 . 2]" 1
224 1 18 LEU H 1 18 LEU HG . . 4.500 2.452 2.240 2.663 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU HA 1 18 LEU MD2 . . 4.000 2.142 2.091 2.175 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU HB3 1 19 VAL HA . . 5.000 4.528 4.375 4.599 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU HB3 1 19 VAL H . . 4.500 3.478 3.335 3.550 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU H 1 19 VAL H . . 5.500 2.791 2.712 2.891 . 0 0 "[ . 1 . 2]" 1
229 1 18 LEU HA 1 21 LYS HB2 . . 3.000 2.534 2.286 2.761 . 0 0 "[ . 1 . 2]" 1
230 1 18 LEU HA 1 21 LYS HB3 . . 5.000 4.084 2.871 4.354 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU HA 1 21 LYS H . . 3.500 3.089 2.925 3.164 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU HB3 1 22 LEU QD . . 5.000 3.949 3.633 4.110 . 0 0 "[ . 1 . 2]" 1
233 1 18 LEU MD1 1 65 TYR QD . . 5.000 4.319 4.106 4.548 . 0 0 "[ . 1 . 2]" 1
234 1 18 LEU HB2 1 68 LEU MD1 . . 5.000 3.945 3.680 4.338 . 0 0 "[ . 1 . 2]" 1
235 1 18 LEU MD1 1 68 LEU MD1 . . 3.000 2.632 2.414 3.004 0.004 13 0 "[ . 1 . 2]" 1
236 1 18 LEU MD2 1 68 LEU MD1 . . 3.000 2.996 2.935 3.035 0.035 16 0 "[ . 1 . 2]" 1
237 1 18 LEU HA 2 12 LEU MD1 . . 5.500 4.400 4.085 4.644 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU MD1 2 12 LEU MD1 . . 3.500 3.473 3.314 3.525 0.025 10 0 "[ . 1 . 2]" 1
239 1 18 LEU MD1 2 12 LEU MD2 . . 4.500 4.078 3.958 4.460 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU MD2 2 12 LEU MD1 . . 5.500 2.053 1.933 2.107 . 0 0 "[ . 1 . 2]" 1
241 1 18 LEU MD2 2 12 LEU MD2 . . 5.500 2.188 2.058 2.488 . 0 0 "[ . 1 . 2]" 1
242 1 18 LEU MD2 2 13 MET H . . 5.500 5.473 4.980 5.602 0.102 9 0 "[ . 1 . 2]" 1
243 1 18 LEU HA 2 15 THR MG . . 5.500 2.977 2.746 3.375 . 0 0 "[ . 1 . 2]" 1
244 1 18 LEU MD1 2 15 THR HB . . 4.000 3.974 3.822 4.048 0.048 11 0 "[ . 1 . 2]" 1
245 1 18 LEU MD1 2 15 THR MG . . 4.500 3.658 3.566 3.809 . 0 0 "[ . 1 . 2]" 1
246 1 18 LEU MD2 2 15 THR HB . . 5.500 2.237 2.150 2.446 . 0 0 "[ . 1 . 2]" 1
247 1 18 LEU MD2 2 15 THR MG . . 5.500 2.277 2.139 2.566 . 0 0 "[ . 1 . 2]" 1
248 1 19 VAL HA 1 19 VAL HB . . 3.000 3.022 3.012 3.029 0.029 13 0 "[ . 1 . 2]" 1
249 1 19 VAL H 1 19 VAL HB . . 3.500 2.339 2.271 2.400 . 0 0 "[ . 1 . 2]" 1
250 1 19 VAL H 1 19 VAL MG2 . . 3.500 2.335 2.288 2.404 . 0 0 "[ . 1 . 2]" 1
251 1 19 VAL HB 1 20 HIS H . . 4.500 2.676 2.571 2.836 . 0 0 "[ . 1 . 2]" 1
252 1 19 VAL H 1 20 HIS H . . 4.500 2.913 2.825 3.062 . 0 0 "[ . 1 . 2]" 1
253 1 19 VAL MG1 1 20 HIS HA . . 5.000 3.371 3.271 3.467 . 0 0 "[ . 1 . 2]" 1
254 1 19 VAL MG1 1 20 HIS H . . 5.500 3.098 2.980 3.202 . 0 0 "[ . 1 . 2]" 1
255 1 19 VAL MG2 1 20 HIS H . . 5.500 4.060 3.997 4.176 . 0 0 "[ . 1 . 2]" 1
256 1 19 VAL MG1 1 21 LYS H . . 5.500 5.106 4.917 5.169 . 0 0 "[ . 1 . 2]" 1
257 1 19 VAL HA 1 22 LEU HB2 . . 3.000 2.811 2.677 3.062 0.062 13 0 "[ . 1 . 2]" 1
258 1 19 VAL HA 1 22 LEU HG . . 4.000 2.728 2.401 2.917 . 0 0 "[ . 1 . 2]" 1
259 1 19 VAL HA 1 22 LEU H . . 5.500 3.275 3.145 3.360 . 0 0 "[ . 1 . 2]" 1
260 1 19 VAL H 1 22 LEU HG . . 4.500 4.522 4.302 4.605 0.105 8 0 "[ . 1 . 2]" 1
261 1 19 VAL HA 1 47 ALA MB . . 3.000 2.791 2.476 2.979 . 0 0 "[ . 1 . 2]" 1
262 1 19 VAL MG1 1 47 ALA MB . . 3.000 2.049 2.004 2.130 . 0 0 "[ . 1 . 2]" 1
263 1 19 VAL HA 1 48 LYS HA . . 5.000 4.741 4.659 4.876 . 0 0 "[ . 1 . 2]" 1
264 1 19 VAL MG1 1 48 LYS HE3 . . 5.000 3.457 3.014 4.613 . 0 0 "[ . 1 . 2]" 1
265 1 19 VAL MG1 1 48 LYS HG3 . . 3.000 2.234 2.185 2.288 . 0 0 "[ . 1 . 2]" 1
266 1 19 VAL MG1 1 48 LYS QB . . 5.000 3.761 3.719 3.792 . 0 0 "[ . 1 . 2]" 1
267 1 19 VAL MG2 1 48 LYS HA . . 3.000 2.136 2.091 2.211 . 0 0 "[ . 1 . 2]" 1
268 1 19 VAL MG2 1 48 LYS HG3 . . 4.000 3.328 3.252 3.427 . 0 0 "[ . 1 . 2]" 1
269 1 19 VAL MG2 1 48 LYS QB . . 5.000 3.690 3.652 3.758 . 0 0 "[ . 1 . 2]" 1
270 1 19 VAL MG2 1 51 GLU H . . 3.500 3.560 3.532 3.612 0.112 13 0 "[ . 1 . 2]" 1
271 1 20 HIS HA 1 20 HIS HB3 . . 3.000 2.991 2.367 3.035 0.035 6 0 "[ . 1 . 2]" 1
272 1 20 HIS HA 1 20 HIS HD2 . . 5.000 4.175 2.974 4.817 . 0 0 "[ . 1 . 2]" 1
273 1 20 HIS HB2 1 20 HIS HD2 . . 3.000 2.854 2.508 3.133 0.133 1 0 "[ . 1 . 2]" 1
274 1 20 HIS H 1 20 HIS HB2 . . 3.500 2.599 2.354 3.649 0.149 11 0 "[ . 1 . 2]" 1
275 1 20 HIS H 1 20 HIS HB3 . . 3.500 2.558 2.149 2.846 . 0 0 "[ . 1 . 2]" 1
276 1 20 HIS HB2 1 21 LYS H . . 4.500 3.939 3.776 4.212 . 0 0 "[ . 1 . 2]" 1
277 1 20 HIS HB3 1 21 LYS H . . 4.500 2.685 2.496 4.363 . 0 0 "[ . 1 . 2]" 1
278 1 20 HIS H 1 21 LYS H . . 4.500 2.933 2.796 3.019 . 0 0 "[ . 1 . 2]" 1
279 1 20 HIS HA 1 23 VAL H . . 4.500 3.348 2.920 3.466 . 0 0 "[ . 1 . 2]" 1
280 1 20 HIS HD2 1 24 GLN HG2 . . 5.000 5.011 4.492 5.079 0.079 20 0 "[ . 1 . 2]" 1
281 1 21 LYS HA 1 21 LYS HB2 . . 3.000 3.018 2.715 3.047 0.047 5 0 "[ . 1 . 2]" 1
282 1 21 LYS HB2 1 21 LYS HG3 . . 3.000 2.466 2.357 3.028 0.028 17 0 "[ . 1 . 2]" 1
283 1 21 LYS HA 1 21 LYS HB3 . . 3.000 2.503 2.409 3.015 0.015 13 0 "[ . 1 . 2]" 1
284 1 21 LYS HB3 1 21 LYS HG3 . . 3.000 2.391 2.329 2.545 . 0 0 "[ . 1 . 2]" 1
285 1 21 LYS HA 1 21 LYS HG2 . . 4.000 3.251 3.054 3.674 . 0 0 "[ . 1 . 2]" 1
286 1 21 LYS HA 1 21 LYS HG3 . . 4.000 3.653 2.515 3.827 . 0 0 "[ . 1 . 2]" 1
287 1 21 LYS H 1 21 LYS HG2 . . 4.500 2.594 2.228 4.532 0.032 13 0 "[ . 1 . 2]" 1
288 1 21 LYS H 1 21 LYS HG3 . . 4.500 3.854 3.673 4.546 0.046 13 0 "[ . 1 . 2]" 1
289 1 21 LYS HA 1 22 LEU H . . 5.500 3.605 3.585 3.620 . 0 0 "[ . 1 . 2]" 1
290 1 21 LYS H 1 22 LEU H . . 3.500 2.890 2.649 2.954 . 0 0 "[ . 1 . 2]" 1
291 1 21 LYS HA 1 24 GLN H . . 5.500 3.344 3.084 3.733 . 0 0 "[ . 1 . 2]" 1
292 1 21 LYS HA 2 12 LEU MD2 . . 5.500 4.351 4.220 4.521 . 0 0 "[ . 1 . 2]" 1
293 1 21 LYS HB2 2 12 LEU MD1 . . 4.500 4.502 4.409 4.643 0.143 13 0 "[ . 1 . 2]" 1
294 1 21 LYS HB2 2 12 LEU MD2 . . 5.500 2.385 2.251 3.057 . 0 0 "[ . 1 . 2]" 1
295 1 21 LYS HB3 2 12 LEU MD1 . . 5.500 4.795 4.006 5.049 . 0 0 "[ . 1 . 2]" 1
296 1 21 LYS HB3 2 12 LEU MD2 . . 5.500 2.367 2.096 2.685 . 0 0 "[ . 1 . 2]" 1
297 1 21 LYS HG2 2 12 LEU MD1 . . 5.500 5.426 3.874 5.577 0.077 11 0 "[ . 1 . 2]" 1
298 1 21 LYS HG2 2 12 LEU MD2 . . 5.500 3.659 2.222 3.927 . 0 0 "[ . 1 . 2]" 1
299 1 21 LYS HG3 2 12 LEU MD1 . . 5.500 4.533 4.315 5.560 0.060 17 0 "[ . 1 . 2]" 1
300 1 21 LYS HG3 2 12 LEU MD2 . . 5.500 2.775 2.327 3.956 . 0 0 "[ . 1 . 2]" 1
301 1 21 LYS HB3 2 15 THR MG . . 5.500 4.939 4.247 5.513 0.013 11 0 "[ . 1 . 2]" 1
302 1 19 VAL HA 1 22 LEU QD . . 4.000 2.468 2.261 2.836 . 0 0 "[ . 1 . 2]" 1
303 1 22 LEU HA 1 22 LEU HB2 . . 3.000 3.036 3.024 3.042 0.042 6 0 "[ . 1 . 2]" 1
304 1 22 LEU HA 1 22 LEU HB3 . . 3.000 2.447 2.391 2.489 . 0 0 "[ . 1 . 2]" 1
305 1 22 LEU HA 1 22 LEU HG . . 4.000 3.266 3.176 3.434 . 0 0 "[ . 1 . 2]" 1
306 1 22 LEU HB2 1 22 LEU HG . . 3.000 2.451 2.368 2.493 . 0 0 "[ . 1 . 2]" 1
307 1 22 LEU HB3 1 22 LEU HG . . 3.000 3.037 3.025 3.044 0.044 10 0 "[ . 1 . 2]" 1
308 1 22 LEU H 1 22 LEU HB2 . . 3.500 2.629 2.560 2.717 . 0 0 "[ . 1 . 2]" 1
309 1 22 LEU H 1 22 LEU HG . . 4.500 2.348 2.232 2.434 . 0 0 "[ . 1 . 2]" 1
310 1 22 LEU HA 1 22 LEU QD . . 3.000 2.115 2.083 2.146 . 0 0 "[ . 1 . 2]" 1
311 1 22 LEU HB2 1 22 LEU QD . . 3.000 2.290 2.251 2.354 . 0 0 "[ . 1 . 2]" 1
312 1 22 LEU HA 1 23 VAL HA . . 5.000 4.778 4.751 4.807 . 0 0 "[ . 1 . 2]" 1
313 1 22 LEU HA 1 23 VAL H . . 4.500 3.606 3.590 3.629 . 0 0 "[ . 1 . 2]" 1
314 1 22 LEU HB2 1 23 VAL H . . 3.500 2.423 2.357 2.492 . 0 0 "[ . 1 . 2]" 1
315 1 22 LEU HB3 1 23 VAL HA . . 5.000 4.343 4.213 4.422 . 0 0 "[ . 1 . 2]" 1
316 1 22 LEU HB3 1 23 VAL H . . 3.500 3.496 3.432 3.542 0.042 2 0 "[ . 1 . 2]" 1
317 1 22 LEU HB3 1 23 VAL MG2 . . 5.000 4.238 4.091 4.336 . 0 0 "[ . 1 . 2]" 1
318 1 22 LEU H 1 23 VAL HB . . 5.500 5.096 4.959 5.183 . 0 0 "[ . 1 . 2]" 1
319 1 22 LEU H 1 23 VAL H . . 3.500 2.844 2.759 2.911 . 0 0 "[ . 1 . 2]" 1
320 1 22 LEU HA 1 25 ALA H . . 4.500 3.578 3.269 3.771 . 0 0 "[ . 1 . 2]" 1
321 1 22 LEU QD 1 47 ALA MB . . 3.000 2.384 2.250 2.610 . 0 0 "[ . 1 . 2]" 1
322 1 22 LEU QD 1 51 GLU H . . 3.500 2.983 2.895 3.069 . 0 0 "[ . 1 . 2]" 1
323 1 22 LEU QD 1 71 LYS QE . . 5.000 4.553 3.985 5.020 0.020 13 0 "[ . 1 . 2]" 1
324 1 22 LEU HG 2 12 LEU MD1 . . 5.500 5.322 5.080 5.517 0.017 16 0 "[ . 1 . 2]" 1
325 1 22 LEU HG 2 12 LEU MD2 . . 5.500 3.559 3.076 4.050 . 0 0 "[ . 1 . 2]" 1
326 1 22 LEU QD 2 12 LEU MD1 . . 4.500 3.953 3.436 4.217 . 0 0 "[ . 1 . 2]" 1
327 1 22 LEU QD 2 12 LEU MD2 . . 5.500 2.680 2.095 3.227 . 0 0 "[ . 1 . 2]" 1
328 1 19 VAL MG1 1 23 VAL MG2 . . 3.000 2.819 2.686 2.935 . 0 0 "[ . 1 . 2]" 1
329 1 20 HIS HA 1 23 VAL MG1 . . 5.000 4.250 3.997 4.418 . 0 0 "[ . 1 . 2]" 1
330 1 20 HIS HA 1 23 VAL MG2 . . 3.000 3.003 2.808 3.046 0.046 13 0 "[ . 1 . 2]" 1
331 1 23 VAL HA 1 23 VAL HB . . 3.000 3.034 3.029 3.047 0.047 13 0 "[ . 1 . 2]" 1
332 1 23 VAL HA 1 23 VAL MG1 . . 3.000 2.389 2.327 2.421 . 0 0 "[ . 1 . 2]" 1
333 1 23 VAL HA 1 23 VAL MG2 . . 3.000 2.381 2.342 2.426 . 0 0 "[ . 1 . 2]" 1
334 1 23 VAL H 1 23 VAL HB . . 3.500 2.635 2.596 2.694 . 0 0 "[ . 1 . 2]" 1
335 1 23 VAL H 1 23 VAL MG1 . . 4.500 3.842 3.818 3.862 . 0 0 "[ . 1 . 2]" 1
336 1 23 VAL H 1 23 VAL MG2 . . 3.500 2.138 2.072 2.189 . 0 0 "[ . 1 . 2]" 1
337 1 23 VAL HA 1 24 GLN H . . 4.500 3.624 3.533 3.654 . 0 0 "[ . 1 . 2]" 1
338 1 23 VAL HB 1 24 GLN H . . 3.500 2.581 2.155 2.718 . 0 0 "[ . 1 . 2]" 1
339 1 23 VAL H 1 24 GLN H . . 4.500 2.937 2.861 3.045 . 0 0 "[ . 1 . 2]" 1
340 1 23 VAL MG1 1 24 GLN H . . 5.500 3.395 3.147 3.490 . 0 0 "[ . 1 . 2]" 1
341 1 23 VAL HA 1 26 ILE HB . . 5.000 2.986 2.651 3.152 . 0 0 "[ . 1 . 2]" 1
342 1 23 VAL H 1 26 ILE MD . . 5.500 4.253 4.000 4.484 . 0 0 "[ . 1 . 2]" 1
343 1 23 VAL MG1 1 43 LEU MD1 . . 4.000 4.007 3.887 4.059 0.059 7 0 "[ . 1 . 2]" 1
344 1 23 VAL HA 1 47 ALA MB . . 4.000 3.605 3.410 3.823 . 0 0 "[ . 1 . 2]" 1
345 1 23 VAL HB 1 47 ALA MB . . 5.000 4.428 4.299 4.655 . 0 0 "[ . 1 . 2]" 1
346 1 23 VAL MG2 1 47 ALA H . . 4.500 3.923 3.717 4.203 . 0 0 "[ . 1 . 2]" 1
347 1 21 LYS HA 1 24 GLN HG2 . . 3.000 2.843 2.178 3.118 0.118 13 0 "[ . 1 . 2]" 1
348 1 24 GLN HA 1 24 GLN HG2 . . 4.000 3.493 3.263 3.872 . 0 0 "[ . 1 . 2]" 1
349 1 24 GLN HA 1 24 GLN HG3 . . 4.000 3.706 3.174 3.825 . 0 0 "[ . 1 . 2]" 1
350 1 24 GLN H 1 24 GLN HG3 . . 4.500 3.746 3.013 4.467 . 0 0 "[ . 1 . 2]" 1
351 1 24 GLN H 1 25 ALA H . . 3.500 2.860 2.764 3.094 . 0 0 "[ . 1 . 2]" 1
352 1 25 ALA H 1 25 ALA MB . . 3.500 2.226 2.205 2.257 . 0 0 "[ . 1 . 2]" 1
353 1 25 ALA HA 1 26 ILE H . . 5.500 3.593 3.574 3.613 . 0 0 "[ . 1 . 2]" 1
354 1 25 ALA H 1 26 ILE H . . 3.500 2.751 2.662 2.827 . 0 0 "[ . 1 . 2]" 1
355 1 25 ALA H 1 26 ILE MD . . 5.500 5.108 4.977 5.260 . 0 0 "[ . 1 . 2]" 1
356 1 25 ALA MB 1 26 ILE H . . 3.500 2.573 2.380 2.674 . 0 0 "[ . 1 . 2]" 1
357 1 25 ALA MB 1 76 GLN HE22 . . 5.500 5.058 2.845 5.591 0.091 17 0 "[ . 1 . 2]" 1
358 1 23 VAL HA 1 26 ILE HG13 . . 5.000 4.333 3.959 4.544 . 0 0 "[ . 1 . 2]" 1
359 1 23 VAL HA 1 26 ILE MD . . 3.000 2.951 2.568 3.030 0.030 20 0 "[ . 1 . 2]" 1
360 1 23 VAL HA 1 26 ILE MG . . 5.000 4.303 3.981 4.470 . 0 0 "[ . 1 . 2]" 1
361 1 26 ILE H 1 26 ILE HB . . 3.500 2.405 2.343 2.499 . 0 0 "[ . 1 . 2]" 1
362 1 26 ILE H 1 26 ILE HG12 . . 3.500 3.559 3.529 3.582 0.082 3 0 "[ . 1 . 2]" 1
363 1 26 ILE H 1 26 ILE HG13 . . 3.500 2.205 2.137 2.257 . 0 0 "[ . 1 . 2]" 1
364 1 26 ILE H 1 26 ILE MD . . 4.500 3.374 3.301 3.455 . 0 0 "[ . 1 . 2]" 1
365 1 26 ILE H 1 26 ILE MG . . 4.500 3.757 3.734 3.796 . 0 0 "[ . 1 . 2]" 1
366 1 26 ILE HA 1 26 ILE MG . . 3.000 2.426 2.367 2.476 . 0 0 "[ . 1 . 2]" 1
367 1 26 ILE HG12 1 27 PHE H . . 5.500 5.006 4.839 5.120 . 0 0 "[ . 1 . 2]" 1
368 1 26 ILE H 1 27 PHE H . . 3.500 2.536 2.426 2.679 . 0 0 "[ . 1 . 2]" 1
369 1 26 ILE MG 1 43 LEU MD2 . . 3.000 2.612 2.199 2.880 . 0 0 "[ . 1 . 2]" 1
370 1 26 ILE HA 1 75 ILE MG . . 5.000 3.292 2.173 4.065 . 0 0 "[ . 1 . 2]" 1
371 1 26 ILE HG13 1 75 ILE MG . . 5.000 3.618 2.305 4.444 . 0 0 "[ . 1 . 2]" 1
372 1 23 VAL MG1 1 27 PHE HB2 . . 5.000 4.359 3.937 5.007 0.007 16 0 "[ . 1 . 2]" 1
373 1 23 VAL MG1 1 27 PHE QE . . 5.000 5.044 4.883 5.089 0.089 18 0 "[ . 1 . 2]" 1
374 1 27 PHE H 1 27 PHE HB2 . . 3.500 3.072 2.845 3.465 . 0 0 "[ . 1 . 2]" 1
375 1 27 PHE HA 1 28 PRO QD . . 3.000 2.142 2.065 2.239 . 0 0 "[ . 1 . 2]" 1
376 1 27 PHE QE 1 29 THR MG . . 5.000 3.752 2.914 5.008 0.008 9 0 "[ . 1 . 2]" 1
377 1 27 PHE HB2 1 40 MET ME . . 5.000 4.298 3.677 5.011 0.011 7 0 "[ . 1 . 2]" 1
378 1 27 PHE QD 1 40 MET ME . . 5.000 2.519 2.096 2.907 . 0 0 "[ . 1 . 2]" 1
379 1 27 PHE QE 1 40 MET ME . . 5.000 3.126 2.167 3.547 . 0 0 "[ . 1 . 2]" 1
380 1 27 PHE HB2 1 43 LEU MD1 . . 5.000 4.186 3.910 4.667 . 0 0 "[ . 1 . 2]" 1
381 1 27 PHE HB2 1 43 LEU MD2 . . 4.000 2.415 2.270 2.764 . 0 0 "[ . 1 . 2]" 1
382 1 27 PHE HB3 1 43 LEU MD2 . . 5.000 2.233 2.081 2.371 . 0 0 "[ . 1 . 2]" 1
383 1 27 PHE QD 1 43 LEU MD2 . . 4.000 2.889 2.443 3.105 . 0 0 "[ . 1 . 2]" 1
384 1 27 PHE QE 1 43 LEU MD2 . . 4.000 4.016 3.945 4.073 0.073 3 0 "[ . 1 . 2]" 1
385 1 24 GLN HA 1 28 PRO HA . . 5.000 2.268 2.138 2.475 . 0 0 "[ . 1 . 2]" 1
386 1 24 GLN HA 1 28 PRO HB2 . . 5.000 5.081 5.004 5.163 0.163 6 0 "[ . 1 . 2]" 1
387 1 25 ALA HA 1 28 PRO QD . . 5.000 4.568 4.209 5.042 0.042 8 0 "[ . 1 . 2]" 1
388 1 27 PHE HB2 1 28 PRO QD . . 5.000 4.305 4.200 4.369 . 0 0 "[ . 1 . 2]" 1
389 1 27 PHE QD 1 28 PRO QD . . 5.000 4.007 3.613 4.304 . 0 0 "[ . 1 . 2]" 1
390 1 28 PRO HA 1 29 THR H . . 3.500 2.241 2.173 2.297 . 0 0 "[ . 1 . 2]" 1
391 1 28 PRO HB2 1 29 THR H . . 4.500 4.065 3.635 4.402 . 0 0 "[ . 1 . 2]" 1
392 1 28 PRO QD 1 29 THR H . . 5.000 4.863 4.394 5.008 0.008 7 0 "[ . 1 . 2]" 1
393 1 27 PHE QD 1 29 THR MG . . 4.000 3.436 2.308 4.018 0.018 19 0 "[ . 1 . 2]" 1
394 1 29 THR HA 1 29 THR MG . . 3.000 2.330 2.253 2.439 . 0 0 "[ . 1 . 2]" 1
395 1 29 THR HA 1 29 THR HB . . 3.000 2.756 2.466 3.032 0.032 10 0 "[ . 1 . 2]" 1
396 1 29 THR H 1 29 THR HB . . 3.500 3.032 2.441 3.575 0.075 12 0 "[ . 1 . 2]" 1
397 1 29 THR H 1 29 THR MG . . 4.500 3.031 2.183 3.765 . 0 0 "[ . 1 . 2]" 1
398 1 29 THR HA 1 30 PRO QD . . 3.000 2.069 1.980 2.118 . 0 0 "[ . 1 . 2]" 1
399 1 29 THR HB 1 30 PRO QD . . 4.000 3.706 2.885 4.134 0.134 11 0 "[ . 1 . 2]" 1
400 1 29 THR H 1 30 PRO QD . . 5.000 4.298 4.179 4.431 . 0 0 "[ . 1 . 2]" 1
401 1 29 THR MG 1 30 PRO QD . . 4.000 2.952 2.109 3.662 . 0 0 "[ . 1 . 2]" 1
402 1 29 THR MG 1 31 ASP H . . 4.500 3.435 2.225 4.534 0.034 18 0 "[ . 1 . 2]" 1
403 1 29 THR MG 1 32 PRO HA . . 5.000 3.997 3.294 4.901 . 0 0 "[ . 1 . 2]" 1
404 1 29 THR HB 1 34 ALA MB . . 5.000 3.936 2.572 5.002 0.002 15 0 "[ . 1 . 2]" 1
405 1 29 THR HA 1 40 MET ME . . 5.000 3.605 2.407 4.226 . 0 0 "[ . 1 . 2]" 1
406 1 29 THR HB 1 40 MET ME . . 5.000 4.025 3.568 4.711 . 0 0 "[ . 1 . 2]" 1
407 1 29 THR MG 1 40 MET ME . . 5.000 2.253 1.936 2.654 . 0 0 "[ . 1 . 2]" 1
408 1 30 PRO HA 1 31 ASP H . . 4.500 3.623 3.597 3.655 . 0 0 "[ . 1 . 2]" 1
409 1 30 PRO HB2 1 31 ASP H . . 5.500 2.710 2.272 3.337 . 0 0 "[ . 1 . 2]" 1
410 1 30 PRO QD 1 31 ASP H . . 4.500 2.928 2.702 3.162 . 0 0 "[ . 1 . 2]" 1
411 1 31 ASP H 1 31 ASP HB2 . . 3.500 3.213 2.459 3.399 . 0 0 "[ . 1 . 2]" 1
412 1 31 ASP H 1 31 ASP HB3 . . 3.500 2.950 2.748 3.632 0.132 3 0 "[ . 1 . 2]" 1
413 1 31 ASP HA 1 32 PRO HG3 . . 5.000 4.464 4.441 4.508 . 0 0 "[ . 1 . 2]" 1
414 1 31 ASP HA 1 32 PRO QD . . 3.000 2.121 2.079 2.181 . 0 0 "[ . 1 . 2]" 1
415 1 31 ASP HB3 1 32 PRO QD . . 4.000 3.944 3.234 4.046 0.046 17 0 "[ . 1 . 2]" 1
416 1 31 ASP HA 1 33 ALA H . . 4.500 4.229 4.059 4.409 . 0 0 "[ . 1 . 2]" 1
417 1 31 ASP H 1 34 ALA MB . . 5.500 2.597 2.366 2.972 . 0 0 "[ . 1 . 2]" 1
418 1 31 ASP HB2 1 32 PRO QD . . 5.000 3.976 3.838 4.278 . 0 0 "[ . 1 . 2]" 1
419 1 32 PRO HA 1 32 PRO HB3 . . 3.000 2.387 2.383 2.395 . 0 0 "[ . 1 . 2]" 1
420 1 32 PRO HB2 1 33 ALA H . . 4.500 2.588 2.540 2.641 . 0 0 "[ . 1 . 2]" 1
421 1 32 PRO HB3 1 33 ALA H . . 4.500 3.951 3.906 4.001 . 0 0 "[ . 1 . 2]" 1
422 1 32 PRO QD 1 33 ALA H . . 3.500 3.050 2.938 3.121 . 0 0 "[ . 1 . 2]" 1
423 1 32 PRO HA 1 35 LEU MD2 . . 4.000 3.970 3.784 4.031 0.031 17 0 "[ . 1 . 2]" 1
424 1 32 PRO HB2 1 33 ALA MB . . 4.000 3.986 3.946 4.014 0.014 3 0 "[ . 1 . 2]" 1
425 1 33 ALA H 1 33 ALA MB . . 3.500 2.215 2.195 2.223 . 0 0 "[ . 1 . 2]" 1
426 1 33 ALA HA 1 34 ALA H . . 3.500 3.532 3.512 3.543 0.043 3 0 "[ . 1 . 2]" 1
427 1 33 ALA H 1 34 ALA H . . 3.500 2.801 2.757 2.920 . 0 0 "[ . 1 . 2]" 1
428 1 33 ALA MB 1 34 ALA H . . 3.500 2.831 2.735 3.009 . 0 0 "[ . 1 . 2]" 1
429 1 29 THR MG 1 34 ALA MB . . 4.000 2.992 2.059 4.023 0.023 16 0 "[ . 1 . 2]" 1
430 1 30 PRO HB2 1 34 ALA MB . . 4.000 3.425 2.532 4.055 0.055 20 0 "[ . 1 . 2]" 1
431 1 30 PRO QD 1 34 ALA MB . . 5.000 2.921 2.333 3.388 . 0 0 "[ . 1 . 2]" 1
432 1 31 ASP HB2 1 34 ALA MB . . 4.000 3.987 3.021 4.058 0.058 11 0 "[ . 1 . 2]" 1
433 1 31 ASP HB3 1 34 ALA MB . . 5.000 2.898 2.752 4.195 . 0 0 "[ . 1 . 2]" 1
434 1 34 ALA H 1 34 ALA MB . . 3.500 2.227 2.213 2.258 . 0 0 "[ . 1 . 2]" 1
435 1 34 ALA HA 1 37 ASP QB . . 5.000 3.692 3.232 4.393 . 0 0 "[ . 1 . 2]" 1
436 1 35 LEU HA 1 35 LEU HB3 . . 3.000 2.487 2.429 2.579 . 0 0 "[ . 1 . 2]" 1
437 1 35 LEU HB3 1 35 LEU MD2 . . 3.000 2.362 2.305 2.450 . 0 0 "[ . 1 . 2]" 1
438 1 35 LEU H 1 35 LEU HB2 . . 3.500 2.498 2.406 2.568 . 0 0 "[ . 1 . 2]" 1
439 1 35 LEU H 1 35 LEU MD2 . . 4.500 3.447 3.143 3.678 . 0 0 "[ . 1 . 2]" 1
440 1 35 LEU HA 1 35 LEU MD2 . . 3.000 2.184 2.144 2.231 . 0 0 "[ . 1 . 2]" 1
441 1 35 LEU H 1 36 LYS H . . 3.500 2.814 2.662 2.974 . 0 0 "[ . 1 . 2]" 1
442 1 35 LEU MD1 1 36 LYS H . . 5.500 4.898 4.633 5.110 . 0 0 "[ . 1 . 2]" 1
443 1 35 LEU HA 1 40 MET HB3 . . 5.000 2.456 2.177 3.028 . 0 0 "[ . 1 . 2]" 1
444 1 35 LEU HA 1 40 MET HG2 . . 5.000 3.768 2.157 4.659 . 0 0 "[ . 1 . 2]" 1
445 1 35 LEU HA 1 40 MET HG3 . . 5.000 2.861 2.194 3.772 . 0 0 "[ . 1 . 2]" 1
446 1 35 LEU HA 1 40 MET ME . . 5.000 3.584 2.802 4.562 . 0 0 "[ . 1 . 2]" 1
447 1 36 LYS HA 1 36 LYS HB2 . . 3.000 2.843 2.359 3.034 0.034 7 0 "[ . 1 . 2]" 1
448 1 36 LYS HA 1 36 LYS HB3 . . 3.000 2.466 2.329 2.543 . 0 0 "[ . 1 . 2]" 1
449 1 36 LYS HA 1 36 LYS HG3 . . 4.000 3.327 2.892 3.812 . 0 0 "[ . 1 . 2]" 1
450 1 36 LYS HB3 1 36 LYS HG3 . . 3.000 2.993 2.446 3.046 0.046 15 0 "[ . 1 . 2]" 1
451 1 36 LYS HA 1 36 LYS HG2 . . 4.000 2.912 2.378 3.835 . 0 0 "[ . 1 . 2]" 1
452 1 36 LYS H 1 36 LYS HB3 . . 3.500 3.244 2.403 3.556 0.056 8 0 "[ . 1 . 2]" 1
453 1 36 LYS H 1 36 LYS HG3 . . 3.500 2.706 2.214 3.570 0.070 18 0 "[ . 1 . 2]" 1
454 1 36 LYS HB3 1 37 ASP H . . 4.500 4.195 4.004 4.583 0.083 12 0 "[ . 1 . 2]" 1
455 1 37 ASP H 1 37 ASP QB . . 3.500 2.256 2.144 2.512 . 0 0 "[ . 1 . 2]" 1
456 1 37 ASP HA 1 38 ARG H . . 3.500 2.231 2.148 2.311 . 0 0 "[ . 1 . 2]" 1
457 1 37 ASP QB 1 38 ARG H . . 5.500 3.656 3.157 3.840 . 0 0 "[ . 1 . 2]" 1
458 1 38 ARG HA 1 38 ARG HG2 . . 4.000 3.357 2.413 3.799 . 0 0 "[ . 1 . 2]" 1
459 1 38 ARG H 1 38 ARG HG3 . . 5.500 3.728 2.088 4.576 . 0 0 "[ . 1 . 2]" 1
460 1 38 ARG H 1 38 ARG QD . . 5.500 3.684 2.230 4.537 . 0 0 "[ . 1 . 2]" 1
461 1 39 ARG H 1 39 ARG QG . . 4.500 3.115 2.026 4.023 . 0 0 "[ . 1 . 2]" 1
462 1 39 ARG H 1 40 MET H . . 3.500 2.645 2.386 2.847 . 0 0 "[ . 1 . 2]" 1
463 1 39 ARG QG 1 40 MET H . . 5.500 3.946 3.312 4.605 . 0 0 "[ . 1 . 2]" 1
464 1 23 VAL MG1 1 40 MET ME . . 3.000 2.246 1.906 3.006 0.006 18 0 "[ . 1 . 2]" 1
465 1 40 MET HB2 1 40 MET HG3 . . 3.000 2.583 2.259 3.027 0.027 11 0 "[ . 1 . 2]" 1
466 1 40 MET HB2 1 40 MET HG2 . . 3.000 2.478 2.378 3.009 0.009 9 0 "[ . 1 . 2]" 1
467 1 40 MET ME 1 40 MET HG2 . . 4.000 3.215 2.482 3.433 . 0 0 "[ . 1 . 2]" 1
468 1 40 MET ME 1 40 MET HG3 . . 4.000 2.683 2.202 3.426 . 0 0 "[ . 1 . 2]" 1
469 1 40 MET H 1 40 MET HB3 . . 3.500 3.326 2.428 3.592 0.092 13 0 "[ . 1 . 2]" 1
470 1 40 MET H 1 40 MET HG3 . . 4.500 3.932 3.562 4.513 0.013 18 0 "[ . 1 . 2]" 1
471 1 40 MET HA 1 40 MET ME . . 3.000 2.544 2.062 3.070 0.070 9 0 "[ . 1 . 2]" 1
472 1 40 MET HA 1 41 GLU H . . 5.500 3.588 3.531 3.629 . 0 0 "[ . 1 . 2]" 1
473 1 40 MET HA 1 43 LEU H . . 4.500 3.160 2.935 3.343 . 0 0 "[ . 1 . 2]" 1
474 1 40 MET HA 1 43 LEU QB . . 5.000 2.609 2.296 3.082 . 0 0 "[ . 1 . 2]" 1
475 1 40 MET HA 1 43 LEU MD2 . . 4.000 3.575 3.336 3.857 . 0 0 "[ . 1 . 2]" 1
476 1 40 MET HG3 1 44 VAL MG2 . . 5.000 4.439 2.347 5.057 0.057 7 0 "[ . 1 . 2]" 1
477 1 38 ARG HA 1 41 GLU QG . . 5.000 3.953 3.030 4.706 . 0 0 "[ . 1 . 2]" 1
478 1 41 GLU H 1 41 GLU QG . . 4.500 3.366 2.137 4.092 . 0 0 "[ . 1 . 2]" 1
479 1 41 GLU HA 1 42 ASN H . . 3.500 3.555 3.540 3.572 0.072 9 0 "[ . 1 . 2]" 1
480 1 41 GLU H 1 42 ASN H . . 3.500 2.893 2.738 3.053 . 0 0 "[ . 1 . 2]" 1
481 1 41 GLU QB 1 42 ASN H . . 3.500 2.653 2.492 2.841 . 0 0 "[ . 1 . 2]" 1
482 1 41 GLU QG 1 42 ASN H . . 5.500 3.948 3.554 4.378 . 0 0 "[ . 1 . 2]" 1
483 1 41 GLU HA 1 43 LEU H . . 5.500 4.478 4.280 4.632 . 0 0 "[ . 1 . 2]" 1
484 1 41 GLU HA 1 44 VAL HB . . 3.000 2.347 2.239 2.467 . 0 0 "[ . 1 . 2]" 1
485 1 41 GLU QG 1 44 VAL HB . . 5.000 3.958 3.442 4.414 . 0 0 "[ . 1 . 2]" 1
486 1 42 ASN HA 1 42 ASN HB3 . . 3.000 2.626 2.430 3.032 0.032 17 0 "[ . 1 . 2]" 1
487 1 42 ASN H 1 42 ASN HB2 . . 3.500 2.394 2.250 2.598 . 0 0 "[ . 1 . 2]" 1
488 1 42 ASN HA 1 43 LEU H . . 5.500 3.591 3.556 3.624 . 0 0 "[ . 1 . 2]" 1
489 1 42 ASN HB2 1 43 LEU H . . 3.500 2.890 2.457 3.600 0.100 11 0 "[ . 1 . 2]" 1
490 1 42 ASN HB3 1 43 LEU H . . 3.500 3.361 2.444 3.607 0.107 8 0 "[ . 1 . 2]" 1
491 1 42 ASN H 1 43 LEU H . . 3.500 2.720 2.593 2.870 . 0 0 "[ . 1 . 2]" 1
492 1 42 ASN HA 1 45 ALA HA . . 5.500 5.320 5.126 5.543 0.043 16 0 "[ . 1 . 2]" 1
493 1 42 ASN HA 1 45 ALA H . . 4.500 3.422 3.234 3.644 . 0 0 "[ . 1 . 2]" 1
494 1 42 ASN H 1 45 ALA MB . . 5.500 4.655 4.565 4.733 . 0 0 "[ . 1 . 2]" 1
495 1 23 VAL MG2 1 43 LEU QB . . 5.000 3.406 2.531 3.996 . 0 0 "[ . 1 . 2]" 1
496 1 26 ILE HB 1 43 LEU MD2 . . 3.000 2.891 2.593 3.017 0.017 7 0 "[ . 1 . 2]" 1
497 1 27 PHE HB3 1 43 LEU MD1 . . 5.000 4.368 4.222 4.638 . 0 0 "[ . 1 . 2]" 1
498 1 43 LEU H 1 43 LEU HG . . 4.500 4.201 3.495 4.516 0.016 11 0 "[ . 1 . 2]" 1
499 1 43 LEU H 1 43 LEU QB . . 3.500 2.303 2.214 2.449 . 0 0 "[ . 1 . 2]" 1
500 1 43 LEU H 1 43 LEU MD1 . . 4.500 3.483 2.033 4.223 . 0 0 "[ . 1 . 2]" 1
501 1 43 LEU H 1 43 LEU MD2 . . 4.500 4.208 4.027 4.327 . 0 0 "[ . 1 . 2]" 1
502 1 43 LEU HA 1 43 LEU MD1 . . 4.000 2.467 2.138 3.213 . 0 0 "[ . 1 . 2]" 1
503 1 43 LEU MD1 1 43 LEU MD2 . . 3.000 2.060 2.045 2.068 . 0 0 "[ . 1 . 2]" 1
504 1 43 LEU HA 1 43 LEU MD2 . . 4.000 3.772 3.598 3.860 . 0 0 "[ . 1 . 2]" 1
505 1 43 LEU QB 1 43 LEU MD2 . . 3.000 2.091 2.067 2.131 . 0 0 "[ . 1 . 2]" 1
506 1 43 LEU HA 1 44 VAL H . . 4.500 3.556 3.517 3.577 . 0 0 "[ . 1 . 2]" 1
507 1 43 LEU H 1 44 VAL HB . . 4.500 4.534 4.504 4.569 0.069 18 0 "[ . 1 . 2]" 1
508 1 43 LEU H 1 44 VAL H . . 3.500 2.613 2.422 2.725 . 0 0 "[ . 1 . 2]" 1
509 1 43 LEU H 1 44 VAL MG2 . . 4.500 4.249 3.918 4.407 . 0 0 "[ . 1 . 2]" 1
510 1 43 LEU QB 1 44 VAL H . . 3.500 2.627 2.537 2.732 . 0 0 "[ . 1 . 2]" 1
511 1 43 LEU HA 1 46 TYR QB . . 4.000 2.470 2.347 2.566 . 0 0 "[ . 1 . 2]" 1
512 1 35 LEU HA 1 44 VAL MG2 . . 5.000 3.551 3.184 3.767 . 0 0 "[ . 1 . 2]" 1
513 1 35 LEU HB3 1 44 VAL MG2 . . 3.000 2.831 2.307 3.025 0.025 19 0 "[ . 1 . 2]" 1
514 1 41 GLU HA 1 44 VAL MG2 . . 3.000 2.973 2.791 3.033 0.033 5 0 "[ . 1 . 2]" 1
515 1 44 VAL HA 1 44 VAL HB . . 3.000 3.026 3.017 3.034 0.034 10 0 "[ . 1 . 2]" 1
516 1 44 VAL HA 1 44 VAL MG1 . . 3.000 2.518 2.445 2.574 . 0 0 "[ . 1 . 2]" 1
517 1 44 VAL H 1 44 VAL HB . . 3.500 2.339 2.238 2.486 . 0 0 "[ . 1 . 2]" 1
518 1 44 VAL H 1 44 VAL MG1 . . 4.500 3.735 3.692 3.783 . 0 0 "[ . 1 . 2]" 1
519 1 44 VAL HA 1 44 VAL MG2 . . 3.000 2.369 2.326 2.400 . 0 0 "[ . 1 . 2]" 1
520 1 44 VAL HA 1 45 ALA H . . 4.500 3.617 3.590 3.634 . 0 0 "[ . 1 . 2]" 1
521 1 44 VAL HB 1 45 ALA H . . 3.500 2.516 2.418 2.605 . 0 0 "[ . 1 . 2]" 1
522 1 44 VAL H 1 45 ALA H . . 3.500 2.800 2.697 2.886 . 0 0 "[ . 1 . 2]" 1
523 1 44 VAL MG1 1 45 ALA H . . 3.500 3.136 3.062 3.286 . 0 0 "[ . 1 . 2]" 1
524 1 44 VAL MG2 1 45 ALA H . . 4.500 3.961 3.872 4.011 . 0 0 "[ . 1 . 2]" 1
525 1 44 VAL HA 1 47 ALA H . . 4.500 3.519 3.392 3.727 . 0 0 "[ . 1 . 2]" 1
526 1 44 VAL HA 1 48 LYS H . . 4.500 3.922 3.798 3.988 . 0 0 "[ . 1 . 2]" 1
527 1 44 VAL MG1 1 48 LYS HE3 . . 3.000 2.391 2.181 3.007 0.007 15 0 "[ . 1 . 2]" 1
528 1 44 VAL MG1 1 45 ALA MB . . 4.000 3.885 3.819 4.005 0.005 16 0 "[ . 1 . 2]" 1
529 1 45 ALA H 1 45 ALA MB . . 3.500 2.238 2.211 2.258 . 0 0 "[ . 1 . 2]" 1
530 1 45 ALA H 1 46 TYR H . . 3.500 2.891 2.855 2.934 . 0 0 "[ . 1 . 2]" 1
531 1 45 ALA H 1 46 TYR QB . . 5.500 4.570 4.503 4.629 . 0 0 "[ . 1 . 2]" 1
532 1 45 ALA HA 1 48 LYS QB . . 4.000 2.598 2.512 2.695 . 0 0 "[ . 1 . 2]" 1
533 1 43 LEU MD2 1 46 TYR QB . . 5.000 5.029 4.997 5.074 0.074 3 0 "[ . 1 . 2]" 1
534 1 46 TYR HA 1 46 TYR QD . . 3.000 2.850 2.688 3.007 0.007 1 0 "[ . 1 . 2]" 1
535 1 46 TYR H 1 46 TYR QB . . 3.500 2.250 2.212 2.283 . 0 0 "[ . 1 . 2]" 1
536 1 46 TYR HA 1 46 TYR QE . . 5.000 4.611 4.491 4.763 . 0 0 "[ . 1 . 2]" 1
537 1 46 TYR HA 1 47 ALA H . . 4.500 3.599 3.583 3.611 . 0 0 "[ . 1 . 2]" 1
538 1 46 TYR H 1 47 ALA H . . 3.500 2.876 2.838 2.917 . 0 0 "[ . 1 . 2]" 1
539 1 46 TYR QB 1 47 ALA H . . 3.500 2.464 2.411 2.546 . 0 0 "[ . 1 . 2]" 1
540 1 46 TYR HA 1 49 LYS HB2 . . 4.000 3.029 2.491 3.634 . 0 0 "[ . 1 . 2]" 1
541 1 46 TYR HA 1 49 LYS HB3 . . 4.000 3.274 2.703 4.073 0.073 16 0 "[ . 1 . 2]" 1
542 1 46 TYR HA 1 49 LYS HG2 . . 5.000 5.009 4.962 5.036 0.036 9 0 "[ . 1 . 2]" 1
543 1 46 TYR HA 1 49 LYS H . . 4.500 3.594 3.492 3.805 . 0 0 "[ . 1 . 2]" 1
544 1 22 LEU QD 1 47 ALA HA . . 3.000 2.533 2.294 2.784 . 0 0 "[ . 1 . 2]" 1
545 1 22 LEU HB2 1 47 ALA MB . . 3.000 2.181 2.089 2.275 . 0 0 "[ . 1 . 2]" 1
546 1 44 VAL HA 1 47 ALA MB . . 3.000 2.515 2.390 2.663 . 0 0 "[ . 1 . 2]" 1
547 1 46 TYR QD 1 47 ALA HA . . 5.000 3.096 2.837 3.263 . 0 0 "[ . 1 . 2]" 1
548 1 46 TYR QD 1 47 ALA MB . . 5.000 3.382 2.984 3.543 . 0 0 "[ . 1 . 2]" 1
549 1 47 ALA H 1 47 ALA MB . . 3.500 2.210 2.189 2.227 . 0 0 "[ . 1 . 2]" 1
550 1 47 ALA HA 1 48 LYS H . . 5.500 3.604 3.592 3.617 . 0 0 "[ . 1 . 2]" 1
551 1 47 ALA H 1 48 LYS HG3 . . 5.500 4.898 4.843 5.014 . 0 0 "[ . 1 . 2]" 1
552 1 47 ALA HA 1 50 VAL HB . . 3.500 3.351 2.747 3.568 0.068 3 0 "[ . 1 . 2]" 1
553 1 47 ALA HA 1 50 VAL MG1 . . 3.000 2.618 2.284 3.076 0.076 7 0 "[ . 1 . 2]" 1
554 1 19 VAL MG1 1 48 LYS HA . . 3.000 3.018 2.993 3.035 0.035 1 0 "[ . 1 . 2]" 1
555 1 19 VAL MG2 1 48 LYS HG2 . . 5.000 2.567 2.437 2.706 . 0 0 "[ . 1 . 2]" 1
556 1 44 VAL MG1 1 48 LYS QD . . 3.000 2.708 2.560 3.000 0.000 20 0 "[ . 1 . 2]" 1
557 1 48 LYS HA 1 48 LYS HG3 . . 3.000 2.919 2.861 3.012 0.012 20 0 "[ . 1 . 2]" 1
558 1 48 LYS HE2 1 48 LYS HG3 . . 4.000 3.084 2.517 3.671 . 0 0 "[ . 1 . 2]" 1
559 1 48 LYS H 1 48 LYS HG3 . . 4.500 2.424 2.381 2.518 . 0 0 "[ . 1 . 2]" 1
560 1 48 LYS H 1 48 LYS QB . . 3.500 2.371 2.337 2.389 . 0 0 "[ . 1 . 2]" 1
561 1 48 LYS HA 1 49 LYS H . . 4.500 3.595 3.588 3.602 . 0 0 "[ . 1 . 2]" 1
562 1 48 LYS H 1 49 LYS H . . 3.500 2.818 2.789 2.853 . 0 0 "[ . 1 . 2]" 1
563 1 48 LYS HA 1 51 GLU HB2 . . 5.000 3.970 3.773 4.313 . 0 0 "[ . 1 . 2]" 1
564 1 48 LYS HA 1 51 GLU H . . 4.500 3.734 3.602 3.906 . 0 0 "[ . 1 . 2]" 1
565 1 49 LYS HA 1 49 LYS HB2 . . 3.000 2.718 2.470 3.030 0.030 12 0 "[ . 1 . 2]" 1
566 1 49 LYS HB2 1 49 LYS HG2 . . 3.000 3.033 3.027 3.039 0.039 20 0 "[ . 1 . 2]" 1
567 1 49 LYS HB2 1 49 LYS HG3 . . 3.000 2.509 2.471 2.559 . 0 0 "[ . 1 . 2]" 1
568 1 49 LYS HA 1 49 LYS HB3 . . 3.000 2.858 2.572 3.042 0.042 4 0 "[ . 1 . 2]" 1
569 1 49 LYS HB2 1 49 LYS HD3 . . 3.000 2.895 2.497 3.010 0.010 13 0 "[ . 1 . 2]" 1
570 1 49 LYS HA 1 49 LYS HG2 . . 3.000 2.801 2.447 3.052 0.052 3 0 "[ . 1 . 2]" 1
571 1 49 LYS HB3 1 49 LYS HG2 . . 3.000 2.448 2.414 2.499 . 0 0 "[ . 1 . 2]" 1
572 1 49 LYS HD3 1 49 LYS HG2 . . 3.000 2.612 2.480 3.043 0.043 14 0 "[ . 1 . 2]" 1
573 1 49 LYS HA 1 49 LYS HG3 . . 3.000 2.595 2.411 2.847 . 0 0 "[ . 1 . 2]" 1
574 1 49 LYS H 1 49 LYS HB2 . . 3.500 2.324 2.267 2.384 . 0 0 "[ . 1 . 2]" 1
575 1 49 LYS H 1 49 LYS HG2 . . 4.500 4.163 3.622 4.520 0.020 11 0 "[ . 1 . 2]" 1
576 1 49 LYS HA 1 50 VAL H . . 5.500 3.582 3.546 3.624 . 0 0 "[ . 1 . 2]" 1
577 1 49 LYS HB2 1 50 VAL H . . 3.500 3.158 2.452 3.616 0.116 3 0 "[ . 1 . 2]" 1
578 1 49 LYS H 1 50 VAL H . . 3.500 2.904 2.835 2.948 . 0 0 "[ . 1 . 2]" 1
579 1 49 LYS HA 1 52 GLY H . . 4.500 3.712 3.558 3.820 . 0 0 "[ . 1 . 2]" 1
580 1 49 LYS HA 1 53 ASP H . . 4.500 4.082 3.974 4.184 . 0 0 "[ . 1 . 2]" 1
581 1 22 LEU QD 1 50 VAL HB . . 4.000 3.844 3.348 4.028 0.028 2 0 "[ . 1 . 2]" 1
582 1 46 TYR QD 1 50 VAL MG1 . . 5.000 3.927 3.502 4.151 . 0 0 "[ . 1 . 2]" 1
583 1 46 TYR QE 1 50 VAL MG1 . . 3.000 3.000 2.796 3.047 0.047 1 0 "[ . 1 . 2]" 1
584 1 46 TYR QE 1 50 VAL MG2 . . 5.000 3.021 2.457 3.338 . 0 0 "[ . 1 . 2]" 1
585 1 49 LYS HA 1 50 VAL HA . . 5.000 4.710 4.658 4.808 . 0 0 "[ . 1 . 2]" 1
586 1 50 VAL HA 1 50 VAL HB . . 3.000 2.770 2.659 2.925 . 0 0 "[ . 1 . 2]" 1
587 1 50 VAL HA 1 50 VAL MG1 . . 3.500 3.122 2.959 3.206 . 0 0 "[ . 1 . 2]" 1
588 1 50 VAL HA 1 50 VAL MG2 . . 3.000 2.142 2.131 2.156 . 0 0 "[ . 1 . 2]" 1
589 1 50 VAL H 1 50 VAL MG1 . . 3.500 3.109 2.858 3.496 . 0 0 "[ . 1 . 2]" 1
590 1 50 VAL H 1 50 VAL MG2 . . 3.500 3.412 3.022 3.592 0.092 11 0 "[ . 1 . 2]" 1
591 1 50 VAL H 1 51 GLU H . . 3.500 2.899 2.816 2.973 . 0 0 "[ . 1 . 2]" 1
592 1 50 VAL MG1 1 51 GLU H . . 4.500 2.345 2.164 2.580 . 0 0 "[ . 1 . 2]" 1
593 1 50 VAL MG2 1 51 GLU H . . 4.500 4.238 4.149 4.334 . 0 0 "[ . 1 . 2]" 1
594 1 50 VAL HA 1 53 ASP HB2 . . 4.000 3.156 2.928 3.363 . 0 0 "[ . 1 . 2]" 1
595 1 50 VAL HA 1 53 ASP HB3 . . 5.000 2.547 2.411 2.797 . 0 0 "[ . 1 . 2]" 1
596 1 50 VAL HA 1 53 ASP H . . 4.500 3.223 3.044 3.469 . 0 0 "[ . 1 . 2]" 1
597 1 50 VAL MG1 1 53 ASP H . . 5.500 5.010 4.948 5.071 . 0 0 "[ . 1 . 2]" 1
598 1 50 VAL HA 1 54 MET ME . . 5.000 4.335 3.999 4.553 . 0 0 "[ . 1 . 2]" 1
599 1 50 VAL MG1 1 71 LYS HD3 . . 5.000 4.934 4.607 5.027 0.027 19 0 "[ . 1 . 2]" 1
600 1 50 VAL MG1 1 71 LYS HG2 . . 4.000 2.945 2.632 3.161 . 0 0 "[ . 1 . 2]" 1
601 1 50 VAL MG1 1 71 LYS HG3 . . 5.000 3.510 3.303 3.674 . 0 0 "[ . 1 . 2]" 1
602 1 50 VAL MG2 1 71 LYS HG2 . . 3.000 2.974 2.782 3.025 0.025 11 0 "[ . 1 . 2]" 1
603 1 50 VAL MG2 1 71 LYS HG3 . . 4.000 3.875 3.619 4.030 0.030 11 0 "[ . 1 . 2]" 1
604 1 19 VAL MG2 1 51 GLU HA . . 5.000 4.345 4.296 4.437 . 0 0 "[ . 1 . 2]" 1
605 1 19 VAL HA 1 51 GLU HB2 . . 5.000 3.455 3.271 3.620 . 0 0 "[ . 1 . 2]" 1
606 1 19 VAL MG2 1 51 GLU HB2 . . 4.000 2.408 2.321 2.553 . 0 0 "[ . 1 . 2]" 1
607 1 19 VAL MG2 1 51 GLU HB3 . . 4.000 2.273 2.163 2.386 . 0 0 "[ . 1 . 2]" 1
608 1 19 VAL MG2 1 51 GLU HG2 . . 4.000 3.574 3.107 3.640 . 0 0 "[ . 1 . 2]" 1
609 1 19 VAL MG2 1 51 GLU HG3 . . 4.000 2.249 2.110 3.885 . 0 0 "[ . 1 . 2]" 1
610 1 22 LEU QD 1 51 GLU HA . . 5.000 3.181 3.078 3.265 . 0 0 "[ . 1 . 2]" 1
611 1 22 LEU HB2 1 51 GLU HB2 . . 5.000 4.952 4.682 5.055 0.055 9 0 "[ . 1 . 2]" 1
612 1 22 LEU QD 1 51 GLU HB2 . . 5.000 2.278 2.112 2.385 . 0 0 "[ . 1 . 2]" 1
613 1 22 LEU QD 1 51 GLU HB3 . . 4.000 3.561 3.351 3.693 . 0 0 "[ . 1 . 2]" 1
614 1 22 LEU QD 1 51 GLU HG2 . . 5.000 3.855 3.643 4.429 . 0 0 "[ . 1 . 2]" 1
615 1 22 LEU QD 1 51 GLU HG3 . . 5.000 3.748 3.637 3.890 . 0 0 "[ . 1 . 2]" 1
616 1 51 GLU HA 1 51 GLU HB3 . . 3.000 3.031 3.026 3.036 0.036 14 0 "[ . 1 . 2]" 1
617 1 51 GLU HA 1 51 GLU HG2 . . 4.000 2.467 2.399 3.346 . 0 0 "[ . 1 . 2]" 1
618 1 51 GLU H 1 51 GLU HB2 . . 3.500 2.464 2.403 2.519 . 0 0 "[ . 1 . 2]" 1
619 1 51 GLU H 1 51 GLU HB3 . . 3.500 2.474 2.403 2.556 . 0 0 "[ . 1 . 2]" 1
620 1 51 GLU HA 1 52 GLY H . . 4.500 3.595 3.576 3.604 . 0 0 "[ . 1 . 2]" 1
621 1 51 GLU HB3 1 52 GLY H . . 5.500 2.656 2.575 2.895 . 0 0 "[ . 1 . 2]" 1
622 1 51 GLU H 1 52 GLY H . . 3.500 2.820 2.764 2.877 . 0 0 "[ . 1 . 2]" 1
623 1 51 GLU HB3 1 53 ASP H . . 5.500 5.278 5.189 5.445 . 0 0 "[ . 1 . 2]" 1
624 1 51 GLU HA 1 54 MET HB3 . . 5.000 4.367 3.983 4.579 . 0 0 "[ . 1 . 2]" 1
625 1 51 GLU HA 1 68 LEU MD1 . . 5.000 3.348 3.241 3.582 . 0 0 "[ . 1 . 2]" 1
626 1 51 GLU HA 1 68 LEU MD2 . . 3.000 2.163 2.107 2.237 . 0 0 "[ . 1 . 2]" 1
627 1 51 GLU HB2 1 68 LEU MD2 . . 5.000 3.260 2.880 3.398 . 0 0 "[ . 1 . 2]" 1
628 1 51 GLU HB3 1 68 LEU MD2 . . 5.000 4.451 4.109 4.560 . 0 0 "[ . 1 . 2]" 1
629 1 51 GLU HG2 1 68 LEU MD1 . . 5.000 2.660 2.437 3.608 . 0 0 "[ . 1 . 2]" 1
630 1 51 GLU HG2 1 68 LEU MD2 . . 5.000 3.122 2.803 3.954 . 0 0 "[ . 1 . 2]" 1
631 1 51 GLU HG3 1 68 LEU MD2 . . 5.000 3.952 2.494 4.234 . 0 0 "[ . 1 . 2]" 1
632 1 51 GLU H 1 68 LEU MD1 . . 5.500 5.553 5.483 5.603 0.103 10 0 "[ . 1 . 2]" 1
633 1 52 GLY HA3 1 53 ASP H . . 4.500 2.659 2.603 2.708 . 0 0 "[ . 1 . 2]" 1
634 1 52 GLY H 1 53 ASP H . . 3.500 2.880 2.841 2.961 . 0 0 "[ . 1 . 2]" 1
635 1 52 GLY HA3 1 55 TYR HB3 . . 5.000 4.410 4.209 4.625 . 0 0 "[ . 1 . 2]" 1
636 1 53 ASP HA 1 53 ASP HB2 . . 3.000 2.469 2.448 2.485 . 0 0 "[ . 1 . 2]" 1
637 1 53 ASP HA 1 53 ASP HB3 . . 3.000 3.039 3.036 3.044 0.044 18 0 "[ . 1 . 2]" 1
638 1 53 ASP H 1 53 ASP HB2 . . 3.500 2.474 2.445 2.511 . 0 0 "[ . 1 . 2]" 1
639 1 53 ASP H 1 53 ASP HB3 . . 3.500 2.613 2.556 2.658 . 0 0 "[ . 1 . 2]" 1
640 1 53 ASP HB3 1 54 MET H . . 5.500 2.489 2.422 2.574 . 0 0 "[ . 1 . 2]" 1
641 1 53 ASP HB3 1 54 MET ME . . 4.000 4.015 3.977 4.030 0.030 11 0 "[ . 1 . 2]" 1
642 1 53 ASP HA 1 56 GLU HB2 . . 5.000 2.984 2.743 3.268 . 0 0 "[ . 1 . 2]" 1
643 1 53 ASP HA 1 56 GLU HB3 . . 5.000 4.641 4.353 4.992 . 0 0 "[ . 1 . 2]" 1
644 1 53 ASP HA 1 56 GLU HG2 . . 4.000 3.909 3.168 4.044 0.044 18 0 "[ . 1 . 2]" 1
645 1 50 VAL MG2 1 54 MET ME . . 3.000 2.527 2.291 2.801 . 0 0 "[ . 1 . 2]" 1
646 1 54 MET HA 1 54 MET HB3 . . 3.000 2.468 2.443 2.498 . 0 0 "[ . 1 . 2]" 1
647 1 54 MET HA 1 54 MET HG3 . . 4.000 3.617 3.527 3.666 . 0 0 "[ . 1 . 2]" 1
648 1 54 MET HB2 1 54 MET HG2 . . 3.000 2.376 2.307 2.424 . 0 0 "[ . 1 . 2]" 1
649 1 54 MET H 1 54 MET HG2 . . 3.500 2.387 2.320 2.525 . 0 0 "[ . 1 . 2]" 1
650 1 54 MET HB2 1 54 MET HG3 . . 3.000 2.551 2.497 2.644 . 0 0 "[ . 1 . 2]" 1
651 1 54 MET H 1 54 MET HB2 . . 3.500 2.539 2.484 2.602 . 0 0 "[ . 1 . 2]" 1
652 1 54 MET H 1 54 MET HG3 . . 4.500 3.813 3.759 3.860 . 0 0 "[ . 1 . 2]" 1
653 1 54 MET HA 1 54 MET ME . . 4.000 4.047 4.016 4.082 0.082 3 0 "[ . 1 . 2]" 1
654 1 54 MET ME 1 54 MET HG3 . . 3.000 2.318 2.284 2.351 . 0 0 "[ . 1 . 2]" 1
655 1 54 MET HB2 1 55 TYR H . . 4.500 2.672 2.573 2.759 . 0 0 "[ . 1 . 2]" 1
656 1 54 MET H 1 55 TYR H . . 3.500 2.788 2.738 2.837 . 0 0 "[ . 1 . 2]" 1
657 1 54 MET HA 1 57 SER QB . . 4.000 2.424 2.370 2.546 . 0 0 "[ . 1 . 2]" 1
658 1 54 MET HA 1 67 LEU MD2 . . 5.000 3.188 2.992 3.458 . 0 0 "[ . 1 . 2]" 1
659 1 54 MET HB2 1 67 LEU MD2 . . 5.000 5.016 4.923 5.057 0.057 18 0 "[ . 1 . 2]" 1
660 1 54 MET ME 1 67 LEU MD2 . . 4.000 3.683 3.526 3.840 . 0 0 "[ . 1 . 2]" 1
661 1 54 MET HG2 1 68 LEU HA . . 5.000 4.370 4.175 4.550 . 0 0 "[ . 1 . 2]" 1
662 1 54 MET HG3 1 68 LEU HG . . 5.000 2.379 2.312 2.454 . 0 0 "[ . 1 . 2]" 1
663 1 54 MET ME 1 68 LEU HA . . 3.000 3.012 2.929 3.050 0.050 18 0 "[ . 1 . 2]" 1
664 1 54 MET ME 1 68 LEU MD1 . . 5.000 5.020 4.986 5.041 0.041 16 0 "[ . 1 . 2]" 1
665 1 54 MET ME 1 68 LEU MD2 . . 4.000 3.104 3.052 3.146 . 0 0 "[ . 1 . 2]" 1
666 1 54 MET ME 1 71 LYS HA . . 4.000 4.025 3.992 4.063 0.063 3 0 "[ . 1 . 2]" 1
667 1 54 MET ME 1 71 LYS HD3 . . 5.000 2.974 2.694 3.310 . 0 0 "[ . 1 . 2]" 1
668 1 54 MET ME 1 71 LYS HG2 . . 3.000 2.342 2.219 2.618 . 0 0 "[ . 1 . 2]" 1
669 1 54 MET ME 1 71 LYS HG3 . . 5.000 3.701 3.577 3.952 . 0 0 "[ . 1 . 2]" 1
670 1 6 TRP HH2 1 55 TYR HA . . 5.000 2.430 2.230 2.852 . 0 0 "[ . 1 . 2]" 1
671 1 6 TRP HZ2 1 55 TYR HA . . 5.000 2.902 2.516 3.267 . 0 0 "[ . 1 . 2]" 1
672 1 6 TRP HH2 1 55 TYR QD . . 4.000 2.786 2.233 3.131 . 0 0 "[ . 1 . 2]" 1
673 1 7 HIS QB 1 55 TYR QE . . 5.000 2.998 2.260 4.256 . 0 0 "[ . 1 . 2]" 1
674 1 10 VAL MG1 1 55 TYR QD . . 5.000 3.388 3.046 4.315 . 0 0 "[ . 1 . 2]" 1
675 1 15 ARG HD3 1 55 TYR QE . . 5.000 3.657 2.689 4.401 . 0 0 "[ . 1 . 2]" 1
676 1 55 TYR H 1 55 TYR HB3 . . 3.500 2.778 2.621 2.915 . 0 0 "[ . 1 . 2]" 1
677 1 55 TYR H 1 55 TYR QD . . 4.500 4.087 4.003 4.167 . 0 0 "[ . 1 . 2]" 1
678 1 55 TYR HA 1 55 TYR QD . . 4.000 2.969 2.473 3.138 . 0 0 "[ . 1 . 2]" 1
679 1 55 TYR HB2 1 56 GLU H . . 5.500 3.680 3.564 3.851 . 0 0 "[ . 1 . 2]" 1
680 1 55 TYR HB3 1 56 GLU H . . 4.500 2.526 2.407 2.671 . 0 0 "[ . 1 . 2]" 1
681 1 55 TYR H 1 56 GLU H . . 3.500 2.845 2.692 2.926 . 0 0 "[ . 1 . 2]" 1
682 1 55 TYR HA 1 58 ALA MB . . 5.000 3.026 2.673 3.369 . 0 0 "[ . 1 . 2]" 1
683 1 55 TYR HA 1 64 TYR QD . . 4.000 2.595 2.402 2.921 . 0 0 "[ . 1 . 2]" 1
684 1 4 LYS HE2 1 56 GLU HA . . 4.000 3.332 2.455 4.017 0.017 19 0 "[ . 1 . 2]" 1
685 1 4 LYS HE3 1 56 GLU HA . . 4.000 3.290 2.416 4.090 0.090 18 0 "[ . 1 . 2]" 1
686 1 55 TYR QD 1 56 GLU HA . . 5.000 3.741 3.154 4.676 . 0 0 "[ . 1 . 2]" 1
687 1 55 TYR QD 1 56 GLU HG2 . . 5.500 3.971 3.518 4.658 . 0 0 "[ . 1 . 2]" 1
688 1 55 TYR QD 1 56 GLU HG3 . . 5.500 5.377 4.839 5.549 0.049 16 0 "[ . 1 . 2]" 1
689 1 56 GLU HA 1 56 GLU HB2 . . 3.000 3.037 3.032 3.045 0.045 10 0 "[ . 1 . 2]" 1
690 1 56 GLU HA 1 56 GLU HB3 . . 3.000 2.471 2.366 2.535 . 0 0 "[ . 1 . 2]" 1
691 1 56 GLU HB2 1 56 GLU HG2 . . 3.000 2.500 2.361 2.575 . 0 0 "[ . 1 . 2]" 1
692 1 56 GLU HB3 1 56 GLU HG2 . . 3.000 3.045 3.015 3.051 0.051 10 0 "[ . 1 . 2]" 1
693 1 56 GLU HB2 1 56 GLU HG3 . . 3.000 2.444 2.365 2.555 . 0 0 "[ . 1 . 2]" 1
694 1 56 GLU HB3 1 56 GLU HG3 . . 3.000 2.470 2.347 2.557 . 0 0 "[ . 1 . 2]" 1
695 1 56 GLU H 1 56 GLU HB2 . . 3.500 2.435 2.342 2.676 . 0 0 "[ . 1 . 2]" 1
696 1 56 GLU H 1 56 GLU HB3 . . 3.500 3.554 3.534 3.572 0.072 9 0 "[ . 1 . 2]" 1
697 1 56 GLU H 1 56 GLU HG3 . . 3.500 3.550 3.474 3.600 0.100 9 0 "[ . 1 . 2]" 1
698 1 56 GLU HB2 1 57 SER H . . 4.500 2.723 2.528 3.034 . 0 0 "[ . 1 . 2]" 1
699 1 56 GLU HB3 1 57 SER H . . 4.500 3.739 3.521 4.024 . 0 0 "[ . 1 . 2]" 1
700 1 56 GLU HG3 1 57 SER H . . 5.500 5.041 4.858 5.294 . 0 0 "[ . 1 . 2]" 1
701 1 54 MET ME 1 57 SER QB . . 5.000 4.989 4.878 5.033 0.033 16 0 "[ . 1 . 2]" 1
702 1 57 SER H 1 57 SER QB . . 3.500 2.425 2.211 2.520 . 0 0 "[ . 1 . 2]" 1
703 1 57 SER HA 1 58 ALA H . . 4.500 3.564 3.543 3.595 . 0 0 "[ . 1 . 2]" 1
704 1 57 SER H 1 58 ALA H . . 3.500 2.680 2.592 2.783 . 0 0 "[ . 1 . 2]" 1
705 1 57 SER QB 1 58 ALA HA . . 5.000 3.809 3.667 4.125 . 0 0 "[ . 1 . 2]" 1
706 1 57 SER QB 1 58 ALA H . . 3.500 2.606 2.434 2.914 . 0 0 "[ . 1 . 2]" 1
707 1 57 SER QB 1 67 LEU MD2 . . 4.000 2.571 2.313 2.881 . 0 0 "[ . 1 . 2]" 1
708 1 6 TRP HZ2 1 58 ALA MB . . 3.000 2.227 2.124 2.503 . 0 0 "[ . 1 . 2]" 1
709 1 58 ALA H 1 58 ALA MB . . 3.500 2.170 2.154 2.200 . 0 0 "[ . 1 . 2]" 1
710 1 58 ALA HA 1 59 ASN H . . 3.500 2.167 2.102 2.314 . 0 0 "[ . 1 . 2]" 1
711 1 58 ALA MB 1 59 ASN H . . 4.500 3.371 3.198 3.586 . 0 0 "[ . 1 . 2]" 1
712 1 58 ALA HA 1 60 SER H . . 4.500 3.523 3.292 3.951 . 0 0 "[ . 1 . 2]" 1
713 1 58 ALA MB 1 60 SER H . . 3.500 2.755 2.453 3.396 . 0 0 "[ . 1 . 2]" 1
714 1 58 ALA MB 1 61 ARG H . . 5.500 5.086 4.893 5.334 . 0 0 "[ . 1 . 2]" 1
715 1 58 ALA HA 1 63 GLU HG3 . . 4.000 3.262 2.571 4.020 0.020 7 0 "[ . 1 . 2]" 1
716 1 58 ALA HA 1 63 GLU QB . . 3.000 3.031 2.977 3.084 0.084 18 0 "[ . 1 . 2]" 1
717 1 58 ALA MB 1 63 GLU HG3 . . 5.000 3.382 2.545 4.329 . 0 0 "[ . 1 . 2]" 1
718 1 58 ALA MB 1 63 GLU QB . . 3.000 2.494 2.315 2.914 . 0 0 "[ . 1 . 2]" 1
719 1 58 ALA MB 1 64 TYR HA . . 3.000 2.199 2.146 2.255 . 0 0 "[ . 1 . 2]" 1
720 1 58 ALA MB 1 64 TYR HB2 . . 5.000 2.098 2.031 2.243 . 0 0 "[ . 1 . 2]" 1
721 1 58 ALA MB 1 64 TYR HB3 . . 4.000 3.307 3.194 3.536 . 0 0 "[ . 1 . 2]" 1
722 1 58 ALA MB 1 64 TYR H . . 4.500 2.325 2.197 2.488 . 0 0 "[ . 1 . 2]" 1
723 1 58 ALA MB 1 64 TYR QD . . 5.000 2.783 2.460 3.088 . 0 0 "[ . 1 . 2]" 1
724 1 58 ALA HA 1 67 LEU MD2 . . 3.000 3.015 2.946 3.044 0.044 5 0 "[ . 1 . 2]" 1
725 1 58 ALA H 1 67 LEU MD1 . . 4.500 3.877 3.617 4.065 . 0 0 "[ . 1 . 2]" 1
726 1 58 ALA H 1 67 LEU MD2 . . 4.500 3.591 3.142 3.892 . 0 0 "[ . 1 . 2]" 1
727 1 58 ALA MB 1 67 LEU HG . . 5.000 3.564 3.054 3.865 . 0 0 "[ . 1 . 2]" 1
728 1 58 ALA MB 1 67 LEU MD2 . . 3.000 2.814 2.456 3.014 0.014 2 0 "[ . 1 . 2]" 1
729 1 4 LYS HD3 1 59 ASN HA . . 5.000 4.650 3.936 5.082 0.082 7 0 "[ . 1 . 2]" 1
730 1 6 TRP HD1 1 59 ASN HA . . 5.000 4.152 3.159 4.769 . 0 0 "[ . 1 . 2]" 1
731 1 59 ASN HA 1 59 ASN HB2 . . 3.000 2.661 2.442 3.029 0.029 8 0 "[ . 1 . 2]" 1
732 1 59 ASN H 1 59 ASN HB2 . . 4.000 2.928 2.223 3.626 . 0 0 "[ . 1 . 2]" 1
733 1 59 ASN H 1 59 ASN HB3 . . 4.000 2.912 2.524 3.649 . 0 0 "[ . 1 . 2]" 1
734 1 59 ASN HA 1 60 SER H . . 4.500 3.352 2.737 3.609 . 0 0 "[ . 1 . 2]" 1
735 1 59 ASN H 1 60 SER H . . 3.500 2.826 2.551 3.427 . 0 0 "[ . 1 . 2]" 1
736 1 59 ASN H 1 63 GLU QB . . 4.500 3.226 2.921 3.735 . 0 0 "[ . 1 . 2]" 1
737 1 6 TRP HB2 1 60 SER HA . . 4.000 3.948 3.352 4.100 0.100 20 0 "[ . 1 . 2]" 1
738 1 6 TRP HB3 1 60 SER HA . . 5.000 3.136 2.660 3.421 . 0 0 "[ . 1 . 2]" 1
739 1 60 SER HA 1 61 ARG H . . 3.500 2.296 2.224 2.377 . 0 0 "[ . 1 . 2]" 1
740 1 60 SER QB 1 61 ARG H . . 3.500 3.003 2.532 3.529 0.029 11 0 "[ . 1 . 2]" 1
741 1 60 SER QB 1 62 ASP H . . 3.500 3.133 2.627 3.523 0.023 11 0 "[ . 1 . 2]" 1
742 1 60 SER H 1 63 GLU QB . . 3.500 2.355 1.964 3.142 . 0 0 "[ . 1 . 2]" 1
743 1 60 SER QB 1 63 GLU QB . . 5.000 2.967 2.249 3.589 . 0 0 "[ . 1 . 2]" 1
744 1 6 TRP HZ3 1 61 ARG HA . . 5.000 3.673 3.148 3.997 . 0 0 "[ . 1 . 2]" 1
745 1 6 TRP HE3 1 61 ARG HG3 . . 5.000 3.443 2.693 3.801 . 0 0 "[ . 1 . 2]" 1
746 1 61 ARG HA 1 61 ARG HG3 . . 4.000 2.530 2.416 2.693 . 0 0 "[ . 1 . 2]" 1
747 1 61 ARG HB2 1 61 ARG HG3 . . 3.000 2.517 2.360 2.610 . 0 0 "[ . 1 . 2]" 1
748 1 61 ARG HB2 1 61 ARG HD2 . . 4.000 2.521 2.234 3.640 . 0 0 "[ . 1 . 2]" 1
749 1 61 ARG HB3 1 61 ARG HD2 . . 4.000 3.221 3.012 3.747 . 0 0 "[ . 1 . 2]" 1
750 1 61 ARG HD2 1 61 ARG HG3 . . 3.000 2.401 2.255 2.496 . 0 0 "[ . 1 . 2]" 1
751 1 61 ARG HB2 1 61 ARG HD3 . . 4.000 2.795 2.444 3.036 . 0 0 "[ . 1 . 2]" 1
752 1 61 ARG HB3 1 61 ARG HD3 . . 3.000 2.529 2.324 2.836 . 0 0 "[ . 1 . 2]" 1
753 1 61 ARG HD2 1 61 ARG HG2 . . 3.000 2.971 2.544 3.040 0.040 4 0 "[ . 1 . 2]" 1
754 1 61 ARG HD3 1 61 ARG HG2 . . 3.000 2.569 2.422 3.030 0.030 6 0 "[ . 1 . 2]" 1
755 1 61 ARG HD3 1 61 ARG HG3 . . 3.000 2.989 2.572 3.048 0.048 17 0 "[ . 1 . 2]" 1
756 1 61 ARG H 1 61 ARG HB2 . . 3.500 2.468 2.269 2.636 . 0 0 "[ . 1 . 2]" 1
757 1 61 ARG H 1 61 ARG HB3 . . 3.500 2.465 2.281 2.763 . 0 0 "[ . 1 . 2]" 1
758 1 61 ARG H 1 61 ARG HG3 . . 4.500 4.425 4.207 4.512 0.012 8 0 "[ . 1 . 2]" 1
759 1 61 ARG HB2 1 62 ASP H . . 4.500 3.830 3.573 3.956 . 0 0 "[ . 1 . 2]" 1
760 1 61 ARG HD2 1 62 ASP H . . 5.500 5.573 5.522 5.640 0.140 6 0 "[ . 1 . 2]" 1
761 1 61 ARG H 1 62 ASP H . . 3.500 2.732 2.516 3.024 . 0 0 "[ . 1 . 2]" 1
762 1 61 ARG HA 1 64 TYR HB2 . . 4.000 3.221 2.975 3.453 . 0 0 "[ . 1 . 2]" 1
763 1 61 ARG HA 1 64 TYR HB3 . . 5.000 2.292 2.199 2.550 . 0 0 "[ . 1 . 2]" 1
764 1 61 ARG HA 1 64 TYR H . . 4.500 3.348 3.270 3.509 . 0 0 "[ . 1 . 2]" 1
765 1 61 ARG HD2 1 65 TYR QE . . 5.000 4.161 2.691 4.999 . 0 0 "[ . 1 . 2]" 1
766 1 61 ARG HD3 1 65 TYR QE . . 5.000 4.529 3.400 5.019 0.019 6 0 "[ . 1 . 2]" 1
767 1 61 ARG HG3 1 65 TYR QE . . 5.000 3.070 2.285 3.731 . 0 0 "[ . 1 . 2]" 1
768 1 62 ASP HA 1 62 ASP HB2 . . 3.000 2.672 2.381 3.042 0.042 4 0 "[ . 1 . 2]" 1
769 1 62 ASP HA 1 62 ASP HB3 . . 3.000 2.593 2.340 3.039 0.039 18 0 "[ . 1 . 2]" 1
770 1 62 ASP H 1 62 ASP HB2 . . 3.500 2.941 2.483 3.605 0.105 3 0 "[ . 1 . 2]" 1
771 1 62 ASP HA 1 63 GLU H . . 5.500 3.601 3.562 3.667 . 0 0 "[ . 1 . 2]" 1
772 1 62 ASP HB2 1 63 GLU H . . 4.500 3.281 2.266 4.025 . 0 0 "[ . 1 . 2]" 1
773 1 62 ASP H 1 63 GLU H . . 3.500 2.881 2.631 3.034 . 0 0 "[ . 1 . 2]" 1
774 1 62 ASP HA 1 65 TYR HB2 . . 5.000 2.943 2.680 3.189 . 0 0 "[ . 1 . 2]" 1
775 1 62 ASP HA 1 65 TYR QD . . 5.000 3.655 2.710 4.183 . 0 0 "[ . 1 . 2]" 1
776 1 58 ALA MB 1 63 GLU HG2 . . 5.000 3.183 2.419 3.847 . 0 0 "[ . 1 . 2]" 1
777 1 63 GLU HA 1 63 GLU HG2 . . 4.000 3.578 3.257 3.818 . 0 0 "[ . 1 . 2]" 1
778 1 63 GLU H 1 64 TYR HB2 . . 5.500 5.115 4.937 5.280 . 0 0 "[ . 1 . 2]" 1
779 1 63 GLU H 1 64 TYR H . . 3.500 2.726 2.521 2.931 . 0 0 "[ . 1 . 2]" 1
780 1 63 GLU HA 1 66 HIS HB2 . . 4.000 3.456 3.272 3.661 . 0 0 "[ . 1 . 2]" 1
781 1 63 GLU HA 1 66 HIS HB3 . . 3.000 2.395 2.298 2.532 . 0 0 "[ . 1 . 2]" 1
782 1 63 GLU HG2 1 67 LEU MD2 . . 4.000 3.094 2.354 3.729 . 0 0 "[ . 1 . 2]" 1
783 1 63 GLU HG3 1 67 LEU HG . . 3.000 2.429 2.260 2.659 . 0 0 "[ . 1 . 2]" 1
784 1 63 GLU HG3 1 67 LEU MD2 . . 3.000 2.823 2.549 3.058 0.058 12 0 "[ . 1 . 2]" 1
785 1 6 TRP HH2 1 64 TYR HB3 . . 5.000 3.898 3.614 4.213 . 0 0 "[ . 1 . 2]" 1
786 1 58 ALA HA 1 64 TYR HA . . 5.000 4.444 4.232 4.598 . 0 0 "[ . 1 . 2]" 1
787 1 64 TYR H 1 64 TYR HB2 . . 3.500 2.516 2.424 2.632 . 0 0 "[ . 1 . 2]" 1
788 1 64 TYR HB2 1 65 TYR H . . 4.500 3.924 3.830 4.031 . 0 0 "[ . 1 . 2]" 1
789 1 64 TYR H 1 65 TYR H . . 4.500 3.004 2.932 3.058 . 0 0 "[ . 1 . 2]" 1
790 1 18 LEU MD1 1 65 TYR QE . . 4.000 3.355 2.790 3.659 . 0 0 "[ . 1 . 2]" 1
791 1 18 LEU MD2 1 65 TYR QE . . 3.000 2.509 2.098 2.986 . 0 0 "[ . 1 . 2]" 1
792 1 61 ARG HA 1 65 TYR QD . . 5.000 4.143 3.822 4.921 . 0 0 "[ . 1 . 2]" 1
793 1 65 TYR HA 1 65 TYR HB3 . . 3.000 2.657 2.585 2.729 . 0 0 "[ . 1 . 2]" 1
794 1 65 TYR H 1 65 TYR HB2 . . 3.500 2.259 2.182 2.346 . 0 0 "[ . 1 . 2]" 1
795 1 65 TYR HA 1 65 TYR QD . . 3.000 2.705 2.256 2.937 . 0 0 "[ . 1 . 2]" 1
796 1 65 TYR HA 1 65 TYR QE . . 5.000 4.322 4.165 4.483 . 0 0 "[ . 1 . 2]" 1
797 1 65 TYR HB2 1 65 TYR QE . . 5.000 4.496 4.452 4.533 . 0 0 "[ . 1 . 2]" 1
798 1 65 TYR HB2 1 66 HIS H . . 5.500 2.740 2.554 2.881 . 0 0 "[ . 1 . 2]" 1
799 1 65 TYR H 1 66 HIS H . . 4.500 2.804 2.720 2.884 . 0 0 "[ . 1 . 2]" 1
800 1 65 TYR HA 1 68 LEU HB2 . . 5.000 2.884 2.797 2.978 . 0 0 "[ . 1 . 2]" 1
801 1 65 TYR HA 1 68 LEU HB3 . . 5.000 4.417 4.340 4.497 . 0 0 "[ . 1 . 2]" 1
802 1 65 TYR H 1 68 LEU HB2 . . 5.500 5.109 5.063 5.223 . 0 0 "[ . 1 . 2]" 1
803 1 65 TYR QD 1 68 LEU MD1 . . 5.000 4.512 4.236 4.666 . 0 0 "[ . 1 . 2]" 1
804 1 65 TYR HA 1 69 ALA MB . . 5.000 4.336 4.108 4.536 . 0 0 "[ . 1 . 2]" 1
805 1 65 TYR HA 2 12 LEU MD1 . . 5.500 2.880 2.614 3.109 . 0 0 "[ . 1 . 2]" 1
806 1 65 TYR HA 2 12 LEU MD2 . . 5.500 5.254 5.020 5.505 0.005 5 0 "[ . 1 . 2]" 1
807 1 65 TYR QD 2 12 LEU HB3 . . 5.500 4.349 4.058 4.605 . 0 0 "[ . 1 . 2]" 1
808 1 65 TYR QD 2 12 LEU MD1 . . 4.500 2.259 2.120 2.436 . 0 0 "[ . 1 . 2]" 1
809 1 65 TYR QD 2 12 LEU MD2 . . 5.500 4.641 4.360 4.914 . 0 0 "[ . 1 . 2]" 1
810 1 65 TYR QE 2 12 LEU HB3 . . 5.500 5.396 5.161 5.560 0.060 11 0 "[ . 1 . 2]" 1
811 1 65 TYR QE 2 12 LEU MD1 . . 5.500 2.730 2.430 2.986 . 0 0 "[ . 1 . 2]" 1
812 1 65 TYR QE 2 12 LEU MD2 . . 5.500 4.361 4.095 4.646 . 0 0 "[ . 1 . 2]" 1
813 1 65 TYR HB2 2 13 MET ME . . 5.500 4.326 3.395 5.114 . 0 0 "[ . 1 . 2]" 1
814 1 65 TYR HB3 2 13 MET ME . . 5.500 3.278 2.460 3.868 . 0 0 "[ . 1 . 2]" 1
815 1 65 TYR QD 2 13 MET HB3 . . 5.500 4.421 3.705 4.764 . 0 0 "[ . 1 . 2]" 1
816 1 65 TYR QD 2 13 MET ME . . 5.500 4.352 3.412 5.084 . 0 0 "[ . 1 . 2]" 1
817 1 65 TYR QE 2 13 MET HA . . 5.500 3.010 2.618 3.490 . 0 0 "[ . 1 . 2]" 1
818 1 65 TYR QE 2 13 MET HB3 . . 5.500 5.147 4.598 5.452 . 0 0 "[ . 1 . 2]" 1
819 1 65 TYR QE 2 15 THR MG . . 5.500 4.201 3.932 4.615 . 0 0 "[ . 1 . 2]" 1
820 1 63 GLU HA 1 66 HIS HD2 . . 5.000 4.094 3.585 4.391 . 0 0 "[ . 1 . 2]" 1
821 1 66 HIS HA 1 66 HIS HB3 . . 3.000 3.027 3.024 3.030 0.030 17 0 "[ . 1 . 2]" 1
822 1 66 HIS HA 1 66 HIS HB2 . . 3.000 2.418 2.394 2.435 . 0 0 "[ . 1 . 2]" 1
823 1 66 HIS HB3 1 66 HIS HD2 . . 4.000 2.630 2.574 2.695 . 0 0 "[ . 1 . 2]" 1
824 1 66 HIS HB2 1 66 HIS HD2 . . 4.000 3.725 3.304 3.856 . 0 0 "[ . 1 . 2]" 1
825 1 66 HIS H 1 66 HIS HB3 . . 3.500 2.542 2.466 2.588 . 0 0 "[ . 1 . 2]" 1
826 1 66 HIS HA 1 67 LEU H . . 5.500 3.648 3.630 3.659 . 0 0 "[ . 1 . 2]" 1
827 1 66 HIS HB2 1 67 LEU H . . 4.000 3.863 3.833 3.886 . 0 0 "[ . 1 . 2]" 1
828 1 66 HIS HB3 1 67 LEU H . . 4.000 2.411 2.349 2.454 . 0 0 "[ . 1 . 2]" 1
829 1 66 HIS H 1 67 LEU H . . 3.500 3.109 3.065 3.161 . 0 0 "[ . 1 . 2]" 1
830 1 66 HIS H 1 68 LEU HB2 . . 5.500 5.247 5.155 5.325 . 0 0 "[ . 1 . 2]" 1
831 1 66 HIS HA 1 69 ALA H . . 4.500 3.785 3.631 3.871 . 0 0 "[ . 1 . 2]" 1
832 1 54 MET HG2 1 67 LEU MD1 . . 5.000 3.711 3.596 3.858 . 0 0 "[ . 1 . 2]" 1
833 1 63 GLU HG2 1 67 LEU HG . . 4.000 3.364 2.341 4.004 0.004 11 0 "[ . 1 . 2]" 1
834 1 67 LEU HB3 1 67 LEU MD2 . . 3.000 2.395 2.364 2.430 . 0 0 "[ . 1 . 2]" 1
835 1 67 LEU HB3 1 67 LEU HG . . 3.000 2.381 2.365 2.404 . 0 0 "[ . 1 . 2]" 1
836 1 67 LEU H 1 67 LEU HB3 . . 3.500 3.022 2.929 3.103 . 0 0 "[ . 1 . 2]" 1
837 1 67 LEU H 1 67 LEU MD1 . . 3.500 2.428 2.283 2.691 . 0 0 "[ . 1 . 2]" 1
838 1 67 LEU HA 1 68 LEU H . . 3.500 3.541 3.532 3.553 0.053 10 0 "[ . 1 . 2]" 1
839 1 67 LEU H 1 68 LEU H . . 4.500 2.794 2.732 2.842 . 0 0 "[ . 1 . 2]" 1
840 1 67 LEU MD1 1 68 LEU H . . 4.500 2.101 2.077 2.119 . 0 0 "[ . 1 . 2]" 1
841 1 67 LEU HA 1 70 GLU H . . 4.500 3.187 3.029 3.284 . 0 0 "[ . 1 . 2]" 1
842 1 67 LEU HA 1 71 LYS H . . 4.500 3.591 3.498 3.667 . 0 0 "[ . 1 . 2]" 1
843 1 18 LEU HB3 1 68 LEU MD1 . . 5.000 2.868 2.622 3.125 . 0 0 "[ . 1 . 2]" 1
844 1 18 LEU MD2 1 68 LEU MD2 . . 5.000 4.502 4.348 4.684 . 0 0 "[ . 1 . 2]" 1
845 1 22 LEU QD 1 68 LEU HA . . 4.000 3.667 3.391 3.861 . 0 0 "[ . 1 . 2]" 1
846 1 22 LEU QD 1 68 LEU MD1 . . 4.000 3.269 2.938 3.430 . 0 0 "[ . 1 . 2]" 1
847 1 54 MET HG3 1 68 LEU HA . . 5.000 2.892 2.765 3.012 . 0 0 "[ . 1 . 2]" 1
848 1 54 MET HG2 1 68 LEU MD1 . . 5.000 4.484 4.316 4.656 . 0 0 "[ . 1 . 2]" 1
849 1 54 MET HG3 1 68 LEU MD1 . . 5.000 3.778 3.712 3.837 . 0 0 "[ . 1 . 2]" 1
850 1 54 MET HB2 1 68 LEU MD2 . . 5.000 2.535 2.351 2.732 . 0 0 "[ . 1 . 2]" 1
851 1 54 MET HG2 1 68 LEU MD2 . . 4.000 2.700 2.503 2.939 . 0 0 "[ . 1 . 2]" 1
852 1 54 MET HG3 1 68 LEU MD2 . . 3.000 2.193 2.135 2.267 . 0 0 "[ . 1 . 2]" 1
853 1 64 TYR QD 1 68 LEU MD1 . . 5.000 3.099 2.962 3.257 . 0 0 "[ . 1 . 2]" 1
854 1 65 TYR HA 1 68 LEU MD1 . . 4.000 3.209 3.021 3.447 . 0 0 "[ . 1 . 2]" 1
855 1 67 LEU HA 1 68 LEU HA . . 5.000 4.692 4.672 4.714 . 0 0 "[ . 1 . 2]" 1
856 1 68 LEU HA 1 68 LEU MD2 . . 3.000 2.101 2.087 2.132 . 0 0 "[ . 1 . 2]" 1
857 1 68 LEU H 1 68 LEU MD1 . . 5.500 3.663 3.601 3.707 . 0 0 "[ . 1 . 2]" 1
858 1 68 LEU H 1 68 LEU MD2 . . 4.500 3.987 3.957 4.021 . 0 0 "[ . 1 . 2]" 1
859 1 68 LEU MD1 1 68 LEU MD2 . . 3.000 2.019 2.005 2.038 . 0 0 "[ . 1 . 2]" 1
860 1 68 LEU HB3 1 68 LEU MD2 . . 3.000 2.342 2.308 2.369 . 0 0 "[ . 1 . 2]" 1
861 1 68 LEU HB2 1 69 ALA H . . 3.500 2.597 2.516 2.702 . 0 0 "[ . 1 . 2]" 1
862 1 68 LEU HB3 1 69 ALA H . . 3.500 3.283 3.203 3.432 . 0 0 "[ . 1 . 2]" 1
863 1 68 LEU H 1 69 ALA H . . 3.500 2.721 2.657 2.785 . 0 0 "[ . 1 . 2]" 1
864 1 68 LEU MD2 1 69 ALA H . . 5.500 4.744 4.710 4.808 . 0 0 "[ . 1 . 2]" 1
865 1 68 LEU HA 1 71 LYS HB2 . . 4.000 3.440 3.273 3.575 . 0 0 "[ . 1 . 2]" 1
866 1 68 LEU HA 1 71 LYS HB3 . . 4.000 2.527 2.431 2.678 . 0 0 "[ . 1 . 2]" 1
867 1 68 LEU HB2 2 12 LEU MD1 . . 5.500 2.681 2.306 2.934 . 0 0 "[ . 1 . 2]" 1
868 1 68 LEU HB2 2 12 LEU MD2 . . 4.500 4.276 4.023 4.503 0.003 19 0 "[ . 1 . 2]" 1
869 1 68 LEU HB3 2 12 LEU MD1 . . 5.500 2.681 2.333 2.989 . 0 0 "[ . 1 . 2]" 1
870 1 68 LEU HB3 2 12 LEU MD2 . . 5.500 3.284 2.961 3.469 . 0 0 "[ . 1 . 2]" 1
871 1 68 LEU MD1 2 12 LEU MD1 . . 4.500 2.774 2.332 3.079 . 0 0 "[ . 1 . 2]" 1
872 1 68 LEU MD1 2 12 LEU MD2 . . 4.500 3.449 3.009 3.785 . 0 0 "[ . 1 . 2]" 1
873 1 68 LEU MD2 2 12 LEU MD1 . . 5.500 3.983 3.565 4.237 . 0 0 "[ . 1 . 2]" 1
874 1 68 LEU MD2 2 12 LEU MD2 . . 4.500 3.828 3.372 4.054 . 0 0 "[ . 1 . 2]" 1
875 1 69 ALA H 1 69 ALA MB . . 3.500 2.229 2.219 2.244 . 0 0 "[ . 1 . 2]" 1
876 1 69 ALA H 1 70 GLU HB2 . . 5.500 5.096 5.002 5.253 . 0 0 "[ . 1 . 2]" 1
877 1 69 ALA H 1 70 GLU H . . 3.500 2.809 2.770 2.863 . 0 0 "[ . 1 . 2]" 1
878 1 69 ALA MB 1 70 GLU H . . 4.500 2.476 2.434 2.550 . 0 0 "[ . 1 . 2]" 1
879 1 69 ALA HA 1 72 ILE HB . . 3.000 2.742 2.563 2.881 . 0 0 "[ . 1 . 2]" 1
880 1 69 ALA MB 2 9 GLU HA . . 4.500 2.697 2.410 2.923 . 0 0 "[ . 1 . 2]" 1
881 1 69 ALA MB 2 9 GLU HB2 . . 5.500 4.208 3.596 4.948 . 0 0 "[ . 1 . 2]" 1
882 1 69 ALA MB 2 9 GLU HG2 . . 4.500 3.468 2.882 3.817 . 0 0 "[ . 1 . 2]" 1
883 1 69 ALA HA 2 12 LEU MD1 . . 4.500 3.750 3.314 4.094 . 0 0 "[ . 1 . 2]" 1
884 1 69 ALA HA 2 12 LEU MD2 . . 4.500 4.310 4.082 4.427 . 0 0 "[ . 1 . 2]" 1
885 1 69 ALA MB 2 12 LEU HA . . 5.500 5.164 4.950 5.403 . 0 0 "[ . 1 . 2]" 1
886 1 69 ALA MB 2 12 LEU HB2 . . 4.500 3.715 3.345 3.984 . 0 0 "[ . 1 . 2]" 1
887 1 69 ALA MB 2 12 LEU MD1 . . 3.500 2.847 2.470 3.270 . 0 0 "[ . 1 . 2]" 1
888 1 69 ALA MB 2 12 LEU MD2 . . 4.500 4.501 4.355 4.545 0.045 5 0 "[ . 1 . 2]" 1
889 1 69 ALA MB 2 13 MET HA . . 5.500 4.530 4.250 5.218 . 0 0 "[ . 1 . 2]" 1
890 1 67 LEU HA 1 70 GLU HG3 . . 5.000 4.699 4.351 5.046 0.046 16 0 "[ . 1 . 2]" 1
891 1 70 GLU HA 1 70 GLU HG3 . . 4.000 2.916 2.429 3.190 . 0 0 "[ . 1 . 2]" 1
892 1 70 GLU H 1 70 GLU HB3 . . 3.500 2.561 2.491 2.796 . 0 0 "[ . 1 . 2]" 1
893 1 70 GLU H 1 70 GLU HG2 . . 4.500 4.529 4.468 4.559 0.059 10 0 "[ . 1 . 2]" 1
894 1 70 GLU HB3 1 71 LYS H . . 3.500 2.577 2.462 2.892 . 0 0 "[ . 1 . 2]" 1
895 1 70 GLU H 1 71 LYS H . . 3.500 2.865 2.819 2.912 . 0 0 "[ . 1 . 2]" 1
896 1 70 GLU HA 1 73 TYR HB2 . . 3.000 2.895 2.688 3.033 0.033 16 0 "[ . 1 . 2]" 1
897 1 70 GLU HG3 1 74 LYS QE . . 5.000 4.949 4.511 5.054 0.054 17 0 "[ . 1 . 2]" 1
898 1 46 TYR QE 1 71 LYS QE . . 5.000 3.317 2.691 3.926 . 0 0 "[ . 1 . 2]" 1
899 1 50 VAL MG1 1 71 LYS HD2 . . 5.000 5.027 5.002 5.049 0.049 8 0 "[ . 1 . 2]" 1
900 1 50 VAL MG2 1 71 LYS HD2 . . 5.000 4.536 4.351 4.702 . 0 0 "[ . 1 . 2]" 1
901 1 50 VAL MG2 1 71 LYS HD3 . . 5.000 4.134 3.933 4.322 . 0 0 "[ . 1 . 2]" 1
902 1 71 LYS HA 1 71 LYS HB2 . . 3.000 2.372 2.318 2.411 . 0 0 "[ . 1 . 2]" 1
903 1 71 LYS HB2 1 71 LYS HD3 . . 4.000 2.493 2.409 2.592 . 0 0 "[ . 1 . 2]" 1
904 1 71 LYS HB2 1 71 LYS HG2 . . 3.000 2.395 2.352 2.434 . 0 0 "[ . 1 . 2]" 1
905 1 71 LYS HB2 1 71 LYS HG3 . . 3.000 3.032 3.025 3.037 0.037 9 0 "[ . 1 . 2]" 1
906 1 71 LYS HB2 1 71 LYS QE . . 5.000 3.863 3.779 4.172 . 0 0 "[ . 1 . 2]" 1
907 1 71 LYS HA 1 71 LYS HB3 . . 3.000 3.027 3.014 3.034 0.034 6 0 "[ . 1 . 2]" 1
908 1 71 LYS HB3 1 71 LYS HD3 . . 4.000 3.683 3.650 3.734 . 0 0 "[ . 1 . 2]" 1
909 1 71 LYS HB3 1 71 LYS HG2 . . 3.000 2.436 2.405 2.482 . 0 0 "[ . 1 . 2]" 1
910 1 71 LYS HB3 1 71 LYS HG3 . . 3.000 2.431 2.398 2.469 . 0 0 "[ . 1 . 2]" 1
911 1 71 LYS HB3 1 71 LYS QE . . 5.000 4.279 4.218 4.510 . 0 0 "[ . 1 . 2]" 1
912 1 71 LYS HA 1 71 LYS HD2 . . 3.500 2.460 2.267 2.670 . 0 0 "[ . 1 . 2]" 1
913 1 71 LYS HD2 1 71 LYS HG2 . . 3.000 3.025 3.017 3.037 0.037 7 0 "[ . 1 . 2]" 1
914 1 71 LYS HD2 1 71 LYS HG3 . . 3.000 2.374 2.350 2.427 . 0 0 "[ . 1 . 2]" 1
915 1 71 LYS HA 1 71 LYS HD3 . . 3.500 2.602 2.495 2.776 . 0 0 "[ . 1 . 2]" 1
916 1 71 LYS HD3 1 71 LYS HG2 . . 3.000 2.589 2.524 2.620 . 0 0 "[ . 1 . 2]" 1
917 1 71 LYS QE 1 71 LYS HG2 . . 3.000 2.358 2.307 2.625 . 0 0 "[ . 1 . 2]" 1
918 1 71 LYS HA 1 71 LYS HG3 . . 4.000 3.328 3.206 3.449 . 0 0 "[ . 1 . 2]" 1
919 1 71 LYS HD3 1 71 LYS HG3 . . 3.000 3.037 3.028 3.045 0.045 7 0 "[ . 1 . 2]" 1
920 1 71 LYS QE 1 71 LYS HG3 . . 3.000 2.543 2.472 2.633 . 0 0 "[ . 1 . 2]" 1
921 1 71 LYS H 1 71 LYS HB3 . . 3.500 2.434 2.316 2.489 . 0 0 "[ . 1 . 2]" 1
922 1 71 LYS H 1 71 LYS HG2 . . 4.500 4.531 4.509 4.556 0.056 9 0 "[ . 1 . 2]" 1
923 1 71 LYS HA 1 72 ILE H . . 4.500 3.613 3.600 3.627 . 0 0 "[ . 1 . 2]" 1
924 1 71 LYS HB2 1 72 ILE H . . 4.500 3.905 3.837 3.966 . 0 0 "[ . 1 . 2]" 1
925 1 71 LYS H 1 72 ILE H . . 3.500 2.876 2.734 2.960 . 0 0 "[ . 1 . 2]" 1
926 1 71 LYS HA 1 74 LYS H . . 4.500 3.604 3.456 3.730 . 0 0 "[ . 1 . 2]" 1
927 1 71 LYS HA 1 75 ILE H . . 5.500 3.950 3.869 4.123 . 0 0 "[ . 1 . 2]" 1
928 1 71 LYS HG2 1 75 ILE MD . . 4.000 3.638 3.455 4.005 0.005 2 0 "[ . 1 . 2]" 1
929 1 25 ALA MB 1 72 ILE HA . . 5.000 4.043 2.700 4.805 . 0 0 "[ . 1 . 2]" 1
930 1 25 ALA MB 1 72 ILE MD . . 3.000 2.394 2.151 2.788 . 0 0 "[ . 1 . 2]" 1
931 1 25 ALA MB 1 72 ILE MG . . 3.000 2.050 1.923 2.410 . 0 0 "[ . 1 . 2]" 1
932 1 69 ALA HA 1 72 ILE MD . . 3.000 2.544 2.226 3.031 0.031 11 0 "[ . 1 . 2]" 1
933 1 69 ALA HA 1 72 ILE MG . . 4.000 4.026 3.829 4.063 0.063 1 0 "[ . 1 . 2]" 1
934 1 71 LYS HG3 1 72 ILE HA . . 5.000 3.907 3.677 4.132 . 0 0 "[ . 1 . 2]" 1
935 1 72 ILE HB 1 72 ILE HG12 . . 3.000 3.037 3.033 3.044 0.044 5 0 "[ . 1 . 2]" 1
936 1 72 ILE HB 1 72 ILE HG13 . . 3.000 2.469 2.374 2.530 . 0 0 "[ . 1 . 2]" 1
937 1 72 ILE H 1 72 ILE HG13 . . 3.500 2.221 2.101 2.363 . 0 0 "[ . 1 . 2]" 1
938 1 72 ILE HG12 1 72 ILE MG . . 3.000 2.463 2.316 2.617 . 0 0 "[ . 1 . 2]" 1
939 1 72 ILE HB 1 73 TYR H . . 3.500 2.395 2.224 2.734 . 0 0 "[ . 1 . 2]" 1
940 1 72 ILE H 1 73 TYR HB2 . . 5.500 4.778 4.700 4.950 . 0 0 "[ . 1 . 2]" 1
941 1 72 ILE MG 1 73 TYR HA . . 4.000 3.138 3.037 3.258 . 0 0 "[ . 1 . 2]" 1
942 1 72 ILE MG 1 73 TYR H . . 4.500 3.026 2.843 3.291 . 0 0 "[ . 1 . 2]" 1
943 1 72 ILE HA 1 75 ILE HB . . 3.000 2.698 2.358 3.025 0.025 7 0 "[ . 1 . 2]" 1
944 1 72 ILE HA 1 75 ILE H . . 4.500 3.572 3.461 3.686 . 0 0 "[ . 1 . 2]" 1
945 1 72 ILE MG 1 76 GLN HB2 . . 4.000 3.738 3.499 4.015 0.015 7 0 "[ . 1 . 2]" 1
946 1 72 ILE HB 2 8 LEU MD2 . . 4.500 4.412 4.146 4.529 0.029 15 0 "[ . 1 . 2]" 1
947 1 72 ILE MG 2 8 LEU MD2 . . 3.500 2.489 2.252 2.740 . 0 0 "[ . 1 . 2]" 1
948 1 72 ILE HB 2 12 LEU HB3 . . 5.500 4.999 4.657 5.348 . 0 0 "[ . 1 . 2]" 1
949 1 72 ILE HG13 2 12 LEU HB3 . . 5.500 5.536 5.491 5.568 0.068 8 0 "[ . 1 . 2]" 1
950 1 72 ILE MD 2 12 LEU MD1 . . 3.500 3.498 3.417 3.540 0.040 15 0 "[ . 1 . 2]" 1
951 1 73 TYR HA 1 73 TYR HB3 . . 3.000 3.021 3.013 3.028 0.028 7 0 "[ . 1 . 2]" 1
952 1 73 TYR H 1 73 TYR HB2 . . 3.500 2.152 2.098 2.280 . 0 0 "[ . 1 . 2]" 1
953 1 73 TYR H 1 73 TYR HB3 . . 3.500 2.710 2.583 2.955 . 0 0 "[ . 1 . 2]" 1
954 1 73 TYR HA 1 73 TYR QD . . 3.000 2.741 2.403 3.033 0.033 14 0 "[ . 1 . 2]" 1
955 1 73 TYR HB2 1 73 TYR QD . . 3.000 2.335 2.261 2.407 . 0 0 "[ . 1 . 2]" 1
956 1 73 TYR HB2 1 73 TYR QE . . 5.000 4.378 4.285 4.437 . 0 0 "[ . 1 . 2]" 1
957 1 73 TYR HA 1 74 LYS H . . 5.500 3.572 3.551 3.590 . 0 0 "[ . 1 . 2]" 1
958 1 73 TYR HB2 1 74 LYS H . . 3.500 3.564 3.530 3.630 0.130 8 0 "[ . 1 . 2]" 1
959 1 73 TYR HB3 1 74 LYS H . . 4.500 2.342 2.247 2.535 . 0 0 "[ . 1 . 2]" 1
960 1 73 TYR H 1 74 LYS H . . 3.500 2.903 2.854 2.971 . 0 0 "[ . 1 . 2]" 1
961 1 73 TYR HA 1 76 GLN HB2 . . 5.000 2.997 2.708 3.583 . 0 0 "[ . 1 . 2]" 1
962 1 73 TYR HA 1 76 GLN H . . 5.500 3.818 3.523 3.967 . 0 0 "[ . 1 . 2]" 1
963 1 73 TYR QD 1 77 LYS HB3 . . 5.000 4.590 3.455 5.038 0.038 15 0 "[ . 1 . 2]" 1
964 1 73 TYR QD 1 77 LYS HG2 . . 4.000 2.747 2.215 4.006 0.006 7 0 "[ . 1 . 2]" 1
965 1 73 TYR QD 1 77 LYS HG3 . . 5.000 3.082 2.247 5.084 0.084 1 0 "[ . 1 . 2]" 1
966 1 73 TYR QE 1 77 LYS HB2 . . 5.000 4.559 2.459 5.002 0.002 8 0 "[ . 1 . 2]" 1
967 1 73 TYR QE 1 77 LYS HB3 . . 5.000 4.880 4.024 5.042 0.042 3 0 "[ . 1 . 2]" 1
968 1 73 TYR QE 1 77 LYS HG2 . . 5.000 3.339 2.755 4.171 . 0 0 "[ . 1 . 2]" 1
969 1 73 TYR QD 2 4 ARG HD3 . . 5.500 5.524 5.455 5.602 0.102 15 0 "[ . 1 . 2]" 1
970 1 73 TYR QE 2 4 ARG HD3 . . 5.500 5.443 3.192 5.612 0.112 11 0 "[ . 1 . 2]" 1
971 1 73 TYR QE 2 5 ILE MD . . 5.500 3.158 2.141 3.953 . 0 0 "[ . 1 . 2]" 1
972 1 73 TYR QD 2 6 LYS QE . . 5.500 5.495 5.290 5.554 0.054 14 0 "[ . 1 . 2]" 1
973 1 73 TYR HA 2 8 LEU MD1 . . 5.500 4.001 3.845 4.213 . 0 0 "[ . 1 . 2]" 1
974 1 73 TYR HA 2 8 LEU MD2 . . 5.500 2.080 1.991 2.586 . 0 0 "[ . 1 . 2]" 1
975 1 73 TYR HB2 2 8 LEU MD2 . . 5.500 3.712 3.568 4.303 . 0 0 "[ . 1 . 2]" 1
976 1 73 TYR HB3 2 8 LEU HG . . 5.500 5.527 5.257 5.620 0.120 8 0 "[ . 1 . 2]" 1
977 1 73 TYR HB3 2 8 LEU MD2 . . 5.500 4.493 4.386 4.997 . 0 0 "[ . 1 . 2]" 1
978 1 73 TYR QD 2 8 LEU MD2 . . 5.500 3.191 2.682 3.597 . 0 0 "[ . 1 . 2]" 1
979 1 73 TYR QE 2 8 LEU HB3 . . 5.500 5.241 2.187 5.546 0.046 19 0 "[ . 1 . 2]" 1
980 1 73 TYR QD 2 9 GLU HA . . 5.500 3.932 3.762 4.079 . 0 0 "[ . 1 . 2]" 1
981 1 73 TYR QD 2 9 GLU HB3 . . 4.500 4.545 4.492 4.605 0.105 14 0 "[ . 1 . 2]" 1
982 1 73 TYR QE 2 9 GLU HA . . 5.500 5.538 5.477 5.594 0.094 14 0 "[ . 1 . 2]" 1
983 1 73 TYR QE 2 9 GLU HB3 . . 5.500 4.880 4.458 5.407 . 0 0 "[ . 1 . 2]" 1
984 1 74 LYS H 1 74 LYS HG2 . . 3.500 3.151 2.405 3.538 0.038 9 0 "[ . 1 . 2]" 1
985 1 74 LYS H 1 74 LYS HG3 . . 4.500 2.641 2.264 3.635 . 0 0 "[ . 1 . 2]" 1
986 1 74 LYS HB3 1 75 ILE H . . 3.500 3.419 3.057 3.541 0.041 20 0 "[ . 1 . 2]" 1
987 1 74 LYS H 1 75 ILE H . . 3.500 2.948 2.900 3.128 . 0 0 "[ . 1 . 2]" 1
988 1 74 LYS HA 1 77 LYS HB2 . . 4.000 2.675 2.354 4.048 0.048 7 0 "[ . 1 . 2]" 1
989 1 74 LYS HA 1 77 LYS HB3 . . 4.000 3.863 2.520 4.104 0.104 13 0 "[ . 1 . 2]" 1
990 1 74 LYS HG2 1 78 GLU HG2 . . 5.000 4.775 4.258 5.101 0.101 3 0 "[ . 1 . 2]" 1
991 1 74 LYS QE 1 78 GLU HG2 . . 4.000 3.793 2.310 4.084 0.084 17 0 "[ . 1 . 2]" 1
992 1 71 LYS HG3 1 75 ILE HG12 . . 5.000 4.610 4.296 5.008 0.008 14 0 "[ . 1 . 2]" 1
993 1 71 LYS QE 1 75 ILE HG12 . . 5.000 3.822 3.347 4.272 . 0 0 "[ . 1 . 2]" 1
994 1 71 LYS HG3 1 75 ILE MD . . 3.000 2.424 2.231 2.899 . 0 0 "[ . 1 . 2]" 1
995 1 71 LYS QE 1 75 ILE MD . . 4.000 2.286 2.217 2.431 . 0 0 "[ . 1 . 2]" 1
996 1 72 ILE HA 1 75 ILE MG . . 5.000 4.075 3.670 4.437 . 0 0 "[ . 1 . 2]" 1
997 1 74 LYS HB2 1 75 ILE HG12 . . 5.000 5.032 5.012 5.063 0.063 17 0 "[ . 1 . 2]" 1
998 1 74 LYS HB2 1 75 ILE HG13 . . 4.000 3.592 3.458 3.719 . 0 0 "[ . 1 . 2]" 1
999 1 75 ILE HA 1 75 ILE HG13 . . 3.500 2.844 2.728 2.968 . 0 0 "[ . 1 . 2]" 1
1000 1 75 ILE HB 1 75 ILE MD . . 3.000 2.360 2.313 2.391 . 0 0 "[ . 1 . 2]" 1
1001 1 75 ILE HA 1 75 ILE HG12 . . 3.000 2.515 2.432 2.586 . 0 0 "[ . 1 . 2]" 1
1002 1 75 ILE H 1 75 ILE HG12 . . 3.500 3.527 3.448 3.570 0.070 11 0 "[ . 1 . 2]" 1
1003 1 75 ILE H 1 75 ILE HG13 . . 4.500 2.180 2.114 2.217 . 0 0 "[ . 1 . 2]" 1
1004 1 75 ILE H 1 75 ILE MD . . 3.500 3.470 3.370 3.512 0.012 2 0 "[ . 1 . 2]" 1
1005 1 75 ILE H 1 75 ILE MG . . 4.500 3.804 3.759 3.848 . 0 0 "[ . 1 . 2]" 1
1006 1 75 ILE HA 1 75 ILE MG . . 3.000 2.440 2.341 2.550 . 0 0 "[ . 1 . 2]" 1
1007 1 75 ILE H 1 76 GLN H . . 4.500 2.969 2.838 3.064 . 0 0 "[ . 1 . 2]" 1
1008 1 75 ILE HA 1 78 GLU HB2 . . 3.000 3.004 2.628 3.131 0.131 7 0 "[ . 1 . 2]" 1
1009 1 75 ILE MG 1 79 LEU HB3 . . 4.000 3.429 2.680 4.091 0.091 11 0 "[ . 1 . 2]" 1
1010 1 75 ILE HB 2 8 LEU MD1 . . 5.500 5.561 5.514 5.604 0.104 20 0 "[ . 1 . 2]" 1
1011 1 26 ILE HA 1 76 GLN HG2 . . 5.000 4.081 2.917 5.061 0.061 10 0 "[ . 1 . 2]" 1
1012 1 72 ILE MG 1 76 GLN HG2 . . 3.000 3.051 3.006 3.083 0.083 9 0 "[ . 1 . 2]" 1
1013 1 72 ILE MG 1 76 GLN HG3 . . 4.000 3.234 2.281 3.652 . 0 0 "[ . 1 . 2]" 1
1014 1 75 ILE MG 1 76 GLN HG2 . . 5.000 3.553 3.052 3.961 . 0 0 "[ . 1 . 2]" 1
1015 1 76 GLN HA 1 76 GLN HG2 . . 4.000 2.808 2.422 3.304 . 0 0 "[ . 1 . 2]" 1
1016 1 76 GLN HA 1 76 GLN HG3 . . 4.000 3.673 3.622 3.835 . 0 0 "[ . 1 . 2]" 1
1017 1 76 GLN HB2 1 76 GLN HG2 . . 3.000 2.550 2.463 2.869 . 0 0 "[ . 1 . 2]" 1
1018 1 76 GLN HB2 1 76 GLN HG3 . . 3.000 2.423 2.256 2.511 . 0 0 "[ . 1 . 2]" 1
1019 1 76 GLN HB3 1 76 GLN HG3 . . 3.000 2.507 2.428 2.886 . 0 0 "[ . 1 . 2]" 1
1020 1 76 GLN H 1 76 GLN HB2 . . 3.500 2.294 2.142 2.596 . 0 0 "[ . 1 . 2]" 1
1021 1 76 GLN H 1 76 GLN HG2 . . 4.500 2.622 2.205 2.980 . 0 0 "[ . 1 . 2]" 1
1022 1 76 GLN H 1 76 GLN HG3 . . 5.500 3.735 2.762 3.975 . 0 0 "[ . 1 . 2]" 1
1023 1 76 GLN HB2 1 77 LYS H . . 3.500 2.704 2.460 3.114 . 0 0 "[ . 1 . 2]" 1
1024 1 76 GLN HB3 1 77 LYS H . . 4.500 3.338 2.995 4.092 . 0 0 "[ . 1 . 2]" 1
1025 1 76 GLN HG3 1 77 LYS H . . 5.500 5.022 4.476 5.396 . 0 0 "[ . 1 . 2]" 1
1026 1 76 GLN H 1 77 LYS H . . 3.500 2.895 2.759 3.016 . 0 0 "[ . 1 . 2]" 1
1027 1 76 GLN HA 1 79 LEU HB2 . . 5.000 4.130 2.737 5.008 0.008 1 0 "[ . 1 . 2]" 1
1028 1 76 GLN HA 1 79 LEU HB3 . . 5.000 3.690 2.750 5.088 0.088 20 0 "[ . 1 . 2]" 1
1029 1 76 GLN HA 1 79 LEU H . . 4.500 3.936 3.748 4.416 . 0 0 "[ . 1 . 2]" 1
1030 1 73 TYR QE 1 77 LYS HD2 . . 5.000 2.768 2.233 3.898 . 0 0 "[ . 1 . 2]" 1
1031 1 73 TYR QE 1 77 LYS HD3 . . 5.000 4.012 2.329 5.007 0.007 16 0 "[ . 1 . 2]" 1
1032 1 76 GLN HB3 1 77 LYS HE3 . . 5.000 4.435 3.150 5.074 0.074 7 0 "[ . 1 . 2]" 1
1033 1 77 LYS HA 1 77 LYS HB2 . . 3.000 2.957 2.538 3.034 0.034 16 0 "[ . 1 . 2]" 1
1034 1 77 LYS HB2 1 77 LYS HG2 . . 3.000 2.542 2.397 2.724 . 0 0 "[ . 1 . 2]" 1
1035 1 77 LYS HA 1 77 LYS HB3 . . 3.000 2.668 2.569 3.036 0.036 1 0 "[ . 1 . 2]" 1
1036 1 77 LYS HB3 1 77 LYS HG2 . . 3.000 2.887 2.277 3.041 0.041 6 0 "[ . 1 . 2]" 1
1037 1 77 LYS HA 1 77 LYS HG2 . . 4.000 3.026 2.565 3.847 . 0 0 "[ . 1 . 2]" 1
1038 1 77 LYS HA 1 77 LYS HG3 . . 4.000 3.511 2.449 3.779 . 0 0 "[ . 1 . 2]" 1
1039 1 77 LYS HB2 1 77 LYS HG3 . . 3.000 2.497 2.256 3.042 0.042 11 0 "[ . 1 . 2]" 1
1040 1 77 LYS HB3 1 77 LYS HG3 . . 3.000 2.509 2.378 2.683 . 0 0 "[ . 1 . 2]" 1
1041 1 77 LYS H 1 77 LYS HB2 . . 3.500 2.330 2.144 2.502 . 0 0 "[ . 1 . 2]" 1
1042 1 77 LYS H 1 77 LYS HG3 . . 4.500 3.756 3.218 4.520 0.020 7 0 "[ . 1 . 2]" 1
1043 1 77 LYS HA 1 78 GLU H . . 3.500 3.540 3.503 3.560 0.060 11 0 "[ . 1 . 2]" 1
1044 1 77 LYS HB2 1 78 GLU H . . 3.500 2.692 2.248 3.644 0.144 14 0 "[ . 1 . 2]" 1
1045 1 77 LYS HE2 1 78 GLU H . . 5.500 5.287 4.868 5.515 0.015 1 0 "[ . 1 . 2]" 1
1046 1 77 LYS HG3 1 78 GLU H . . 5.500 4.691 3.834 5.079 . 0 0 "[ . 1 . 2]" 1
1047 1 77 LYS H 1 78 GLU H . . 3.500 2.829 2.636 2.957 . 0 0 "[ . 1 . 2]" 1
1048 1 74 LYS HA 1 78 GLU HG2 . . 5.000 3.449 2.612 4.662 . 0 0 "[ . 1 . 2]" 1
1049 1 78 GLU HA 1 78 GLU HB2 . . 3.000 3.040 3.025 3.049 0.049 4 0 "[ . 1 . 2]" 1
1050 1 78 GLU HA 1 78 GLU HG2 . . 3.000 2.997 2.687 3.070 0.070 3 0 "[ . 1 . 2]" 1
1051 1 78 GLU HB3 1 78 GLU HG2 . . 3.000 2.989 2.458 3.056 0.056 10 0 "[ . 1 . 2]" 1
1052 1 78 GLU H 1 78 GLU HB2 . . 3.500 2.419 2.308 2.518 . 0 0 "[ . 1 . 2]" 1
1053 1 78 GLU H 1 78 GLU HG2 . . 3.500 2.457 2.112 3.503 0.003 17 0 "[ . 1 . 2]" 1
1054 1 78 GLU HB2 1 79 LEU H . . 3.500 2.441 2.220 2.631 . 0 0 "[ . 1 . 2]" 1
1055 1 78 GLU H 1 79 LEU H . . 3.500 2.751 2.575 3.048 . 0 0 "[ . 1 . 2]" 1
1056 1 79 LEU HA 1 79 LEU HB2 . . 3.000 2.680 2.437 3.024 0.024 3 0 "[ . 1 . 2]" 1
1057 1 79 LEU HA 1 79 LEU HB3 . . 3.000 2.904 2.582 3.032 0.032 16 0 "[ . 1 . 2]" 1
1058 1 79 LEU HA 1 79 LEU MD1 . . 3.000 2.229 2.133 2.706 . 0 0 "[ . 1 . 2]" 1
1059 1 79 LEU H 1 79 LEU HB2 . . 3.500 2.282 2.115 2.413 . 0 0 "[ . 1 . 2]" 1
1060 1 79 LEU H 1 79 LEU HB3 . . 3.500 2.837 2.381 3.527 0.027 2 0 "[ . 1 . 2]" 1
1061 1 79 LEU H 1 79 LEU HG . . 4.500 4.301 3.782 4.530 0.030 19 0 "[ . 1 . 2]" 1
1062 1 79 LEU HA 1 79 LEU MD2 . . 4.000 3.419 2.194 3.854 . 0 0 "[ . 1 . 2]" 1
1063 1 79 LEU HB3 1 80 GLU H . . 3.500 3.050 2.615 3.596 0.096 3 0 "[ . 1 . 2]" 1
1064 1 79 LEU H 1 80 GLU H . . 3.500 2.649 2.428 2.918 . 0 0 "[ . 1 . 2]" 1
1065 1 80 GLU H 1 80 GLU HB2 . . 3.500 2.625 2.201 3.561 0.061 5 0 "[ . 1 . 2]" 1
1066 1 80 GLU H 1 80 GLU QG . . 4.500 3.457 2.195 4.214 . 0 0 "[ . 1 . 2]" 1
1067 1 81 GLU HA 1 81 GLU HB2 . . 3.000 2.874 2.318 3.043 0.043 10 0 "[ . 1 . 2]" 1
1068 1 81 GLU HB3 1 81 GLU HG2 . . 3.000 2.695 2.291 3.045 0.045 9 0 "[ . 1 . 2]" 1
1069 1 81 GLU HA 1 81 GLU HG2 . . 4.000 3.076 2.412 3.830 . 0 0 "[ . 1 . 2]" 1
1070 1 81 GLU HA 1 81 GLU HG3 . . 4.000 3.433 2.439 4.147 0.147 3 0 "[ . 1 . 2]" 1
1071 1 81 GLU HB2 1 81 GLU HG3 . . 3.000 2.516 2.248 3.050 0.050 10 0 "[ . 1 . 2]" 1
1072 1 81 GLU H 1 81 GLU HG2 . . 3.500 2.822 2.003 3.644 0.144 10 0 "[ . 1 . 2]" 1
1073 1 82 LYS QE 1 82 LYS HG2 . . 3.000 2.612 2.337 3.070 0.070 14 0 "[ . 1 . 2]" 1
1074 1 82 LYS HA 1 82 LYS HG3 . . 4.000 3.174 2.382 3.915 . 0 0 "[ . 1 . 2]" 1
1075 1 82 LYS HA 1 85 SER QB . . 4.000 3.405 2.260 4.107 0.107 3 0 "[ . 1 . 2]" 1
1076 1 84 ARG HA 1 84 ARG HG2 . . 3.000 2.521 2.291 2.967 . 0 0 "[ . 1 . 2]" 1
1077 1 84 ARG HB2 1 84 ARG HG3 . . 3.000 2.525 2.369 2.841 . 0 0 "[ . 1 . 2]" 1
1078 1 84 ARG HB2 1 84 ARG QD . . 3.000 2.654 2.346 3.084 0.084 3 0 "[ . 1 . 2]" 1
1079 1 84 ARG HB3 1 84 ARG QD . . 3.000 2.590 2.345 3.034 0.034 8 0 "[ . 1 . 2]" 1
1080 1 84 ARG HB2 1 84 ARG HE . . 5.500 3.641 2.294 4.749 . 0 0 "[ . 1 . 2]" 1
1081 1 84 ARG HB2 1 84 ARG HG2 . . 3.000 3.029 2.946 3.046 0.046 19 0 "[ . 1 . 2]" 1
1082 1 84 ARG H 1 84 ARG HG2 . . 3.500 3.474 3.192 3.629 0.129 5 0 "[ . 1 . 2]" 1
1083 1 84 ARG HA 1 85 SER H . . 3.500 3.420 2.369 3.576 0.076 16 0 "[ . 1 . 2]" 1
1084 1 84 ARG HG3 1 85 SER H . . 4.500 4.359 4.013 4.705 0.205 7 0 "[ . 1 . 2]" 1
1085 1 85 SER H 1 85 SER QB . . 3.500 2.505 2.211 2.939 . 0 0 "[ . 1 . 2]" 1
1086 1 85 SER QB 1 86 ARG H . . 5.500 3.310 2.068 4.093 . 0 0 "[ . 1 . 2]" 1
1087 1 86 ARG HA 1 86 ARG HB2 . . 3.000 2.974 2.389 3.043 0.043 1 0 "[ . 1 . 2]" 1
1088 1 86 ARG HA 1 86 ARG HB3 . . 3.000 2.511 2.205 3.015 0.015 19 0 "[ . 1 . 2]" 1
1089 1 86 ARG HA 1 86 ARG QD . . 4.000 3.225 2.163 4.075 0.075 7 0 "[ . 1 . 2]" 1
1090 1 86 ARG HA 1 86 ARG QG . . 3.000 2.640 2.208 3.251 0.251 9 0 "[ . 1 . 2]" 1
1091 1 86 ARG HB3 1 86 ARG QD . . 3.500 2.793 2.271 3.584 0.084 11 0 "[ . 1 . 2]" 1
1092 1 86 ARG H 1 86 ARG HB2 . . 4.000 2.511 2.085 3.641 . 0 0 "[ . 1 . 2]" 1
1093 1 86 ARG H 1 86 ARG HB3 . . 4.000 3.526 2.761 3.707 . 0 0 "[ . 1 . 2]" 1
1094 1 86 ARG H 1 86 ARG QG . . 3.500 2.632 2.020 3.604 0.104 19 0 "[ . 1 . 2]" 1
1095 1 86 ARG HA 1 87 LEU H . . 3.500 2.924 2.198 3.561 0.061 4 0 "[ . 1 . 2]" 1
1096 1 86 ARG HB3 1 87 LEU H . . 4.500 3.922 2.651 4.562 0.062 9 0 "[ . 1 . 2]" 1
1097 2 1 LYS HA 2 4 ARG HD2 . . 5.000 3.886 3.423 4.873 . 0 0 "[ . 1 . 2]" 1
1098 2 1 LYS HA 2 4 ARG HD3 . . 5.000 4.943 4.401 5.126 0.126 15 0 "[ . 1 . 2]" 1
1099 2 1 LYS HA 2 2 GLU HA . . 5.000 4.829 4.313 5.026 0.026 17 0 "[ . 1 . 2]" 1
1100 2 2 GLU HA 2 3 LYS H . . 3.500 3.556 3.514 3.575 0.075 5 0 "[ . 1 . 2]" 1
1101 2 2 GLU HA 2 5 ILE HB . . 5.000 2.672 2.312 4.225 . 0 0 "[ . 1 . 2]" 1
1102 2 2 GLU HA 2 5 ILE MD . . 5.000 3.622 2.703 4.978 . 0 0 "[ . 1 . 2]" 1
1103 2 2 GLU HB2 2 3 LYS H . . 4.500 3.275 2.105 3.840 . 0 0 "[ . 1 . 2]" 1
1104 2 2 GLU QG 2 3 LYS H . . 5.500 3.219 2.253 4.241 . 0 0 "[ . 1 . 2]" 1
1105 2 3 LYS HA 2 4 ARG H . . 3.500 3.537 3.488 3.565 0.065 10 0 "[ . 1 . 2]" 1
1106 2 3 LYS H 2 4 ARG H . . 4.500 2.750 2.659 2.930 . 0 0 "[ . 1 . 2]" 1
1107 2 2 GLU HB2 2 4 ARG H . . 5.500 5.381 4.624 5.658 0.158 12 0 "[ . 1 . 2]" 1
1108 2 2 GLU QG 2 4 ARG H . . 5.500 5.158 4.722 5.586 0.086 18 0 "[ . 1 . 2]" 1
1109 2 3 LYS QG 2 4 ARG H . . 5.500 3.951 2.171 4.486 . 0 0 "[ . 1 . 2]" 1
1110 2 4 ARG H 2 5 ILE H . . 4.500 2.521 2.353 2.898 . 0 0 "[ . 1 . 2]" 1
1111 2 4 ARG HA 2 7 GLU HB3 . . 5.000 4.378 4.034 5.021 0.021 19 0 "[ . 1 . 2]" 1
1112 2 4 ARG H 2 7 GLU HG3 . . 5.500 5.463 4.595 5.665 0.165 12 0 "[ . 1 . 2]" 1
1113 2 4 ARG H 2 7 GLU H . . 5.500 4.737 4.591 5.271 . 0 0 "[ . 1 . 2]" 1
1114 2 2 GLU QG 2 5 ILE H . . 5.500 5.362 4.730 5.638 0.138 11 0 "[ . 1 . 2]" 1
1115 2 5 ILE HA 2 6 LYS H . . 5.500 3.601 3.555 3.620 . 0 0 "[ . 1 . 2]" 1
1116 2 5 ILE H 2 6 LYS H . . 3.500 2.860 2.701 2.936 . 0 0 "[ . 1 . 2]" 1
1117 2 5 ILE MG 2 6 LYS HA . . 5.000 3.013 2.825 3.339 . 0 0 "[ . 1 . 2]" 1
1118 2 5 ILE MG 2 6 LYS QD . . 4.000 3.794 3.612 4.017 0.017 9 0 "[ . 1 . 2]" 1
1119 2 5 ILE MG 2 6 LYS QG . . 3.000 2.452 2.230 3.020 0.020 1 0 "[ . 1 . 2]" 1
1120 2 5 ILE HA 2 8 LEU HB2 . . 5.000 3.838 3.515 4.393 . 0 0 "[ . 1 . 2]" 1
1121 2 5 ILE HA 2 8 LEU H . . 5.500 3.872 3.600 4.075 . 0 0 "[ . 1 . 2]" 1
1122 2 5 ILE HA 2 8 LEU MD2 . . 4.000 3.213 2.767 3.989 . 0 0 "[ . 1 . 2]" 1
1123 2 5 ILE MD 2 8 LEU MD2 . . 4.000 3.899 2.998 4.038 0.038 1 0 "[ . 1 . 2]" 1
1124 2 6 LYS HA 2 7 GLU H . . 5.500 3.603 3.574 3.638 . 0 0 "[ . 1 . 2]" 1
1125 2 6 LYS H 2 7 GLU H . . 3.500 2.815 2.598 2.945 . 0 0 "[ . 1 . 2]" 1
1126 2 6 LYS H 2 8 LEU H . . 5.500 4.240 3.901 4.442 . 0 0 "[ . 1 . 2]" 1
1127 2 6 LYS HA 2 9 GLU HB2 . . 4.000 3.596 2.765 3.911 . 0 0 "[ . 1 . 2]" 1
1128 2 6 LYS HA 2 9 GLU H . . 5.500 3.436 3.370 3.485 . 0 0 "[ . 1 . 2]" 1
1129 2 6 LYS HB2 2 7 GLU H . . 5.500 2.678 2.538 2.884 . 0 0 "[ . 1 . 2]" 1
1130 2 6 LYS HB3 2 7 GLU H . . 4.500 3.555 3.369 3.754 . 0 0 "[ . 1 . 2]" 1
1131 2 6 LYS QG 2 7 GLU H . . 5.500 4.199 4.048 4.300 . 0 0 "[ . 1 . 2]" 1
1132 2 7 GLU HA 2 8 LEU H . . 5.500 3.597 3.534 3.632 . 0 0 "[ . 1 . 2]" 1
1133 2 7 GLU H 2 8 LEU H . . 3.500 2.804 2.716 2.883 . 0 0 "[ . 1 . 2]" 1
1134 2 7 GLU HA 2 10 LEU HB2 . . 4.000 3.410 2.372 3.956 . 0 0 "[ . 1 . 2]" 1
1135 2 7 GLU HA 2 10 LEU HB3 . . 4.000 3.003 2.381 4.050 0.050 4 0 "[ . 1 . 2]" 1
1136 2 7 GLU HB3 2 8 LEU H . . 4.500 3.584 3.317 4.124 . 0 0 "[ . 1 . 2]" 1
1137 2 7 GLU HG2 2 8 LEU H . . 5.500 4.465 2.445 5.118 . 0 0 "[ . 1 . 2]" 1
1138 2 8 LEU HA 2 9 GLU H . . 5.500 3.609 3.593 3.637 . 0 0 "[ . 1 . 2]" 1
1139 2 8 LEU H 2 9 GLU H . . 3.500 2.861 2.789 2.970 . 0 0 "[ . 1 . 2]" 1
1140 2 6 LYS QG 2 9 GLU H . . 5.500 5.542 5.519 5.609 0.109 16 0 "[ . 1 . 2]" 1
1141 2 8 LEU HB3 2 9 GLU H . . 5.500 2.423 2.220 2.650 . 0 0 "[ . 1 . 2]" 1
1142 2 8 LEU HG 2 9 GLU H . . 5.500 3.630 3.491 3.830 . 0 0 "[ . 1 . 2]" 1
1143 2 9 GLU HA 2 10 LEU H . . 5.500 3.578 3.558 3.587 . 0 0 "[ . 1 . 2]" 1
1144 2 9 GLU H 2 10 LEU H . . 3.500 2.777 2.680 2.820 . 0 0 "[ . 1 . 2]" 1
1145 2 9 GLU HA 2 12 LEU HB3 . . 5.000 4.322 3.619 4.873 . 0 0 "[ . 1 . 2]" 1
1146 2 9 GLU HA 2 12 LEU H . . 5.500 4.186 3.856 4.510 . 0 0 "[ . 1 . 2]" 1
1147 2 9 GLU HG2 2 13 MET ME . . 5.000 3.128 2.499 4.877 . 0 0 "[ . 1 . 2]" 1
1148 2 9 GLU HB2 2 10 LEU H . . 4.500 3.659 2.346 3.868 . 0 0 "[ . 1 . 2]" 1
1149 2 9 GLU HB3 2 10 LEU H . . 4.500 2.534 2.348 3.347 . 0 0 "[ . 1 . 2]" 1
1150 2 10 LEU HA 2 11 LEU H . . 5.500 3.583 3.543 3.606 . 0 0 "[ . 1 . 2]" 1
1151 2 10 LEU H 2 11 LEU H . . 3.500 2.808 2.720 2.878 . 0 0 "[ . 1 . 2]" 1
1152 2 10 LEU HA 2 13 MET HB2 . . 4.000 2.473 2.223 3.131 . 0 0 "[ . 1 . 2]" 1
1153 2 10 LEU HA 2 13 MET H . . 5.500 3.526 3.209 3.744 . 0 0 "[ . 1 . 2]" 1
1154 2 10 LEU HA 2 13 MET ME . . 5.000 4.669 3.698 5.031 0.031 17 0 "[ . 1 . 2]" 1
1155 2 11 LEU HA 2 12 LEU H . . 5.500 3.606 3.571 3.626 . 0 0 "[ . 1 . 2]" 1
1156 2 11 LEU HG 2 12 LEU HA . . 5.000 3.513 3.384 3.749 . 0 0 "[ . 1 . 2]" 1
1157 2 11 LEU H 2 12 LEU H . . 3.500 3.014 2.874 3.144 . 0 0 "[ . 1 . 2]" 1
1158 2 11 LEU H 2 13 MET H . . 5.500 4.476 4.321 4.620 . 0 0 "[ . 1 . 2]" 1
1159 2 11 LEU HA 2 14 SER QB . . 4.000 3.119 2.441 3.829 . 0 0 "[ . 1 . 2]" 1
1160 2 11 LEU HB3 2 12 LEU H . . 3.500 2.513 2.432 2.704 . 0 0 "[ . 1 . 2]" 1
1161 2 11 LEU HG 2 12 LEU H . . 5.500 3.494 3.325 3.715 . 0 0 "[ . 1 . 2]" 1
1162 2 12 LEU HA 2 13 MET H . . 5.500 3.590 3.540 3.612 . 0 0 "[ . 1 . 2]" 1
1163 2 12 LEU H 2 13 MET H . . 3.500 2.713 2.624 2.820 . 0 0 "[ . 1 . 2]" 1
1164 2 12 LEU HA 2 14 SER H . . 5.500 4.334 4.223 4.561 . 0 0 "[ . 1 . 2]" 1
1165 2 12 LEU HB2 2 13 MET H . . 4.500 3.716 3.604 3.895 . 0 0 "[ . 1 . 2]" 1
1166 2 12 LEU HB3 2 13 MET H . . 4.500 2.513 2.413 2.857 . 0 0 "[ . 1 . 2]" 1
1167 2 12 LEU HG 2 13 MET H . . 5.500 4.811 4.631 5.192 . 0 0 "[ . 1 . 2]" 1
1168 2 12 LEU MD1 2 13 MET H . . 5.500 3.448 3.264 3.713 . 0 0 "[ . 1 . 2]" 1
1169 2 12 LEU MD2 2 13 MET H . . 5.500 4.615 4.538 4.706 . 0 0 "[ . 1 . 2]" 1
1170 2 13 MET HA 2 14 SER H . . 5.500 3.550 3.527 3.575 . 0 0 "[ . 1 . 2]" 1
1171 2 13 MET H 2 14 SER H . . 3.500 2.837 2.394 2.966 . 0 0 "[ . 1 . 2]" 1
1172 2 13 MET HA 2 15 THR H . . 5.500 3.956 3.683 4.525 . 0 0 "[ . 1 . 2]" 1
1173 2 11 LEU QD 2 14 SER H . . 5.500 4.729 4.499 4.970 . 0 0 "[ . 1 . 2]" 1
1174 2 13 MET QB 2 14 SER H . . 3.500 2.633 2.410 2.807 . 0 0 "[ . 1 . 2]" 1
1175 2 13 MET QG 2 14 SER H . . 5.500 4.124 3.789 4.306 . 0 0 "[ . 1 . 2]" 1
1176 2 14 SER HA 2 15 THR H . . 5.500 3.489 3.416 3.557 . 0 0 "[ . 1 . 2]" 1
1177 2 14 SER H 2 15 THR H . . 3.500 2.906 2.828 3.018 . 0 0 "[ . 1 . 2]" 1
1178 2 14 SER HA 2 17 ASN H . . 5.500 3.438 2.873 4.028 . 0 0 "[ . 1 . 2]" 1
1179 2 14 SER HA 2 17 ASN QB . . 5.000 3.186 2.212 3.928 . 0 0 "[ . 1 . 2]" 1
1180 2 12 LEU QD 2 15 THR H . . 5.500 3.839 3.648 4.432 . 0 0 "[ . 1 . 2]" 1
1181 2 13 MET HB2 2 15 THR H . . 5.500 5.091 4.907 5.460 . 0 0 "[ . 1 . 2]" 1
1182 2 15 THR HA 2 16 GLU H . . 5.500 3.613 3.565 3.682 . 0 0 "[ . 1 . 2]" 1
1183 2 15 THR HA 2 18 GLU H . . 5.500 3.354 2.769 3.699 . 0 0 "[ . 1 . 2]" 1
1184 2 15 THR HA 2 18 GLU QB . . 5.000 2.516 2.143 3.042 . 0 0 "[ . 1 . 2]" 1
1185 2 15 THR MG 2 18 GLU QB . . 5.500 3.345 2.869 3.885 . 0 0 "[ . 1 . 2]" 1
1186 2 15 THR MG 2 19 LEU MD1 . . 4.000 3.000 2.131 3.496 . 0 0 "[ . 1 . 2]" 1
1187 2 15 THR MG 2 19 LEU MD2 . . 4.000 3.486 2.304 4.013 0.013 6 0 "[ . 1 . 2]" 1
1188 1 18 LEU MD2 2 16 GLU HA . . 5.500 5.436 5.207 5.571 0.071 11 0 "[ . 1 . 2]" 1
1189 1 18 LEU MD2 2 16 GLU HG2 . . 5.500 5.181 4.621 5.543 0.043 20 0 "[ . 1 . 2]" 1
1190 1 18 LEU MD2 2 16 GLU H . . 5.500 4.218 3.902 4.583 . 0 0 "[ . 1 . 2]" 1
1191 2 15 THR HB 2 16 GLU H . . 4.500 2.657 2.215 3.003 . 0 0 "[ . 1 . 2]" 1
1192 2 15 THR MG 2 16 GLU H . . 5.500 3.577 3.270 3.942 . 0 0 "[ . 1 . 2]" 1
1193 2 16 GLU HA 2 17 ASN H . . 5.500 3.550 3.505 3.611 . 0 0 "[ . 1 . 2]" 1
1194 2 16 GLU HA 2 19 LEU HB3 . . 4.000 3.205 2.316 4.105 0.105 11 0 "[ . 1 . 2]" 1
1195 2 16 GLU HA 2 19 LEU H . . 5.500 3.468 3.157 4.196 . 0 0 "[ . 1 . 2]" 1
1196 2 16 GLU HA 2 20 LYS H . . 5.500 4.032 2.963 5.367 . 0 0 "[ . 1 . 2]" 1
1197 2 16 GLU HB2 2 17 ASN H . . 4.500 3.467 2.392 3.904 . 0 0 "[ . 1 . 2]" 1
1198 2 16 GLU HB3 2 17 ASN H . . 4.000 3.957 3.295 4.094 0.094 11 0 "[ . 1 . 2]" 1
1199 2 17 ASN HA 2 18 GLU H . . 5.500 3.574 3.542 3.612 . 0 0 "[ . 1 . 2]" 1
1200 2 17 ASN HA 2 19 LEU H . . 5.500 4.528 4.242 4.980 . 0 0 "[ . 1 . 2]" 1
1201 2 17 ASN HA 2 20 LYS HB3 . . 5.000 4.333 2.489 5.078 0.078 15 0 "[ . 1 . 2]" 1
1202 2 17 ASN HA 2 20 LYS HG3 . . 5.000 3.850 2.911 4.922 . 0 0 "[ . 1 . 2]" 1
1203 2 17 ASN HA 2 20 LYS H . . 5.500 3.566 2.886 4.326 . 0 0 "[ . 1 . 2]" 1
1204 2 17 ASN HA 2 20 LYS QD . . 5.000 3.535 2.505 5.064 0.064 7 0 "[ . 1 . 2]" 1
1205 2 17 ASN QB 2 18 GLU H . . 3.500 2.619 2.315 3.536 0.036 7 0 "[ . 1 . 2]" 1
1206 2 18 GLU H 2 19 LEU H . . 3.500 2.732 2.336 2.909 . 0 0 "[ . 1 . 2]" 1
1207 1 18 LEU MD2 2 19 LEU MD1 . . 5.500 5.406 4.683 5.544 0.044 9 0 "[ . 1 . 2]" 1
1208 1 18 LEU MD2 2 19 LEU MD2 . . 5.500 5.434 4.758 5.556 0.056 16 0 "[ . 1 . 2]" 1
1209 2 17 ASN QB 2 19 LEU H . . 5.500 4.839 4.603 5.290 . 0 0 "[ . 1 . 2]" 1
1210 2 18 GLU QB 2 19 LEU H . . 3.500 2.501 2.278 2.955 . 0 0 "[ . 1 . 2]" 1
1211 2 18 GLU QG 2 19 LEU H . . 5.500 3.978 3.576 4.686 . 0 0 "[ . 1 . 2]" 1
1212 2 19 LEU HA 2 20 LYS H . . 5.500 3.548 3.038 3.653 . 0 0 "[ . 1 . 2]" 1
1213 2 19 LEU H 2 20 LYS H . . 3.500 2.844 2.592 3.048 . 0 0 "[ . 1 . 2]" 1
1214 2 19 LEU HG 2 20 LYS H . . 5.500 4.368 3.581 5.271 . 0 0 "[ . 1 . 2]" 1
1215 2 19 LEU QB 2 20 LYS H . . 3.500 2.591 2.158 3.630 0.130 5 0 "[ . 1 . 2]" 1
1216 2 19 LEU MD1 2 20 LYS H . . 5.500 4.593 4.280 5.017 . 0 0 "[ . 1 . 2]" 1
1217 2 20 LYS HA 2 21 GLY H . . 5.500 3.343 2.374 3.625 . 0 0 "[ . 1 . 2]" 1
1218 2 20 LYS H 2 21 GLY H . . 3.500 2.950 2.398 3.615 0.115 17 0 "[ . 1 . 2]" 1
1219 2 20 LYS HG2 2 21 GLY H . . 5.500 4.377 2.495 5.348 . 0 0 "[ . 1 . 2]" 1
1220 2 20 LYS QB 2 21 GLY H . . 4.500 3.166 2.078 4.071 . 0 0 "[ . 1 . 2]" 1
1221 2 21 GLY HA3 2 22 GLN H . . 5.500 2.861 2.192 3.569 . 0 0 "[ . 1 . 2]" 1
1222 2 21 GLY HA3 2 23 GLN H . . 5.500 4.666 3.991 5.473 . 0 0 "[ . 1 . 2]" 1
1223 2 23 GLN HB2 2 24 ALA H . . 5.500 4.204 2.683 4.652 . 0 0 "[ . 1 . 2]" 1
1224 2 23 GLN QG 2 24 ALA H . . 5.500 4.319 2.580 5.022 . 0 0 "[ . 1 . 2]" 1
1225 2 24 ALA MB 2 25 LEU H . . 5.500 3.338 2.220 3.779 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 146
_Distance_constraint_stats_list.Viol_total 504.610
_Distance_constraint_stats_list.Viol_max 0.499
_Distance_constraint_stats_list.Viol_rms 0.0901
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0315
_Distance_constraint_stats_list.Viol_average_violations_only 0.1728
_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 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.173 0.085 16 0 "[ . 1 . 2]"
1 16 SER 0.204 0.028 1 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.377 0.085 16 0 "[ . 1 . 2]"
1 22 LEU 3.576 0.255 2 0 "[ . 1 . 2]"
1 23 VAL 4.320 0.285 8 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 4.646 0.285 8 0 "[ . 1 . 2]"
1 27 PHE 6.002 0.499 19 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LEU 6.746 0.499 19 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.173 0.085 16 0 "[ . 1 . 2]"
1 48 LYS 0.204 0.028 1 0 "[ . 1 . 2]"
1 50 VAL 3.461 0.370 12 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASP 3.461 0.370 12 0 "[ . 1 . 2]"
1 54 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 3.476 0.261 16 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 10.091 0.355 4 0 "[ . 1 . 2]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 3.461 0.370 12 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 0.979 0.102 9 0 "[ . 1 . 2]"
1 75 ILE 0.979 0.102 9 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 0.979 0.102 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 50 VAL MG1 1 53 ASP HB2 . . 3.000 3.169 2.965 3.370 0.370 12 0 "[ . 1 . 2]" 2
2 1 16 SER HB2 1 19 VAL MG1 . . 3.000 3.009 2.987 3.028 0.028 1 0 "[ . 1 . 2]" 2
3 1 16 SER QB 1 19 VAL MG1 . . 4.000 3.744 3.685 3.806 . 0 0 "[ . 1 . 2]" 2
4 1 19 VAL MG1 1 48 LYS QD . . 3.000 2.431 2.274 2.513 . 0 0 "[ . 1 . 2]" 2
5 1 57 SER QB 1 67 LEU MD1 . . 3.000 3.174 3.100 3.261 0.261 16 0 "[ . 1 . 2]" 2
6 1 27 PHE QR 1 43 LEU MD2 . . 4.000 2.823 2.423 3.007 . 0 0 "[ . 1 . 2]" 2
7 1 27 PHE QR 1 43 LEU MD1 . . 4.000 4.215 3.503 4.499 0.499 19 0 "[ . 1 . 2]" 2
8 1 23 VAL HA 1 26 ILE MG . . 4.000 3.716 3.408 4.285 0.285 8 0 "[ . 1 . 2]" 2
9 1 23 VAL MG1 1 40 MET ME . . 3.000 2.148 1.873 2.671 . 0 0 "[ . 1 . 2]" 2
10 1 19 VAL MG2 1 48 LYS HG2 . . 3.000 2.126 2.057 2.198 . 0 0 "[ . 1 . 2]" 2
11 1 19 VAL MG2 1 51 GLU HB2 . . 3.000 2.036 1.973 2.469 . 0 0 "[ . 1 . 2]" 2
12 1 15 ARG HB3 1 19 VAL MG2 . . 3.000 2.949 2.772 3.085 0.085 16 0 "[ . 1 . 2]" 2
13 1 51 GLU HA 1 68 LEU MD1 . . 4.000 3.150 3.080 3.290 . 0 0 "[ . 1 . 2]" 2
14 1 51 GLU HA 1 68 LEU MD2 . . 3.000 1.898 1.872 1.933 . 0 0 "[ . 1 . 2]" 2
15 1 54 MET ME 1 68 LEU HA . . 3.000 2.829 2.803 2.866 . 0 0 "[ . 1 . 2]" 2
16 1 57 SER QB 1 58 ALA HA . . 5.000 3.599 3.489 3.820 . 0 0 "[ . 1 . 2]" 2
17 1 54 MET HG3 1 67 LEU QD . . 5.000 2.503 2.319 2.791 . 0 0 "[ . 1 . 2]" 2
18 1 54 MET HG2 1 67 LEU QD . . 5.000 3.605 3.522 3.718 . 0 0 "[ . 1 . 2]" 2
19 1 18 LEU MD1 1 68 LEU MD1 . . 3.000 2.255 2.184 2.361 . 0 0 "[ . 1 . 2]" 2
20 1 18 LEU HB2 1 68 LEU MD1 . . 4.000 3.340 2.243 3.570 . 0 0 "[ . 1 . 2]" 2
21 1 23 VAL MG2 1 44 VAL HA . . 3.000 2.116 2.059 2.178 . 0 0 "[ . 1 . 2]" 2
22 1 10 VAL MG1 1 14 LEU HB3 . . 3.000 2.382 2.176 2.593 . 0 0 "[ . 1 . 2]" 2
23 1 47 ALA HA 1 50 VAL MG1 . . 3.000 2.460 2.237 2.701 . 0 0 "[ . 1 . 2]" 2
24 1 61 ARG QG 1 65 TYR QD . . 3.000 2.387 2.241 2.572 . 0 0 "[ . 1 . 2]" 2
25 1 22 LEU HB3 1 23 VAL HA . . 4.000 4.179 4.089 4.255 0.255 2 0 "[ . 1 . 2]" 2
26 1 67 LEU HA 1 67 LEU QD . . 3.000 3.331 3.316 3.355 0.355 4 0 "[ . 1 . 2]" 2
27 1 35 LEU HB2 1 35 LEU QD . . 3.000 2.248 2.221 2.303 . 0 0 "[ . 1 . 2]" 2
28 1 23 VAL HA 1 26 ILE MD . . 3.000 2.694 2.490 2.844 . 0 0 "[ . 1 . 2]" 2
29 1 25 ALA MB 1 72 ILE MD . . 3.000 1.935 1.795 2.274 . 0 0 "[ . 1 . 2]" 2
30 1 26 ILE MG 1 27 PHE QD . . 5.000 3.543 3.340 3.804 . 0 0 "[ . 1 . 2]" 2
31 1 26 ILE MG 1 27 PHE QE . . 5.000 4.798 3.972 5.041 0.041 13 0 "[ . 1 . 2]" 2
32 1 27 PHE QR 1 40 MET ME . . 4.000 2.390 1.988 2.774 . 0 0 "[ . 1 . 2]" 2
33 1 19 VAL MG2 1 47 ALA MB . . 3.000 2.188 2.090 2.350 . 0 0 "[ . 1 . 2]" 2
34 1 19 VAL MG1 1 48 LYS HG2 . . 3.000 2.439 2.304 2.515 . 0 0 "[ . 1 . 2]" 2
35 1 64 TYR HA 1 67 LEU QD . . 3.000 2.102 2.072 2.197 . 0 0 "[ . 1 . 2]" 2
36 1 57 SER QB 1 67 LEU MD2 . . 3.000 2.509 2.281 2.759 . 0 0 "[ . 1 . 2]" 2
37 1 69 ALA HA 1 72 ILE MD . . 3.000 2.510 2.216 2.930 . 0 0 "[ . 1 . 2]" 2
38 1 74 LYS HA 1 74 LYS HG2 . . 3.000 2.220 2.072 2.438 . 0 0 "[ . 1 . 2]" 2
39 1 75 ILE HA 1 75 ILE MD . . 4.000 3.317 2.363 3.556 . 0 0 "[ . 1 . 2]" 2
40 1 74 LYS HA 1 79 LEU MD2 . . 4.000 3.743 2.383 4.102 0.102 9 0 "[ . 1 . 2]" 2
stop_
save_
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