NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561402 |
2lrw   |
18399 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lrw
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 711
_Distance_constraint_stats_list.Viol_count 2544
_Distance_constraint_stats_list.Viol_total 1309.563
_Distance_constraint_stats_list.Viol_max 0.465
_Distance_constraint_stats_list.Viol_rms 0.0173
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0257
_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 7 MET 0.069 0.011 16 0 "[ . 1 . 2]"
1 8 LEU 3.176 0.299 17 0 "[ . 1 . 2]"
1 9 LEU 2.534 0.169 1 0 "[ . 1 . 2]"
1 10 LYS 2.533 0.083 17 0 "[ . 1 . 2]"
1 11 VAL 1.923 0.153 12 0 "[ . 1 . 2]"
1 12 LYS 3.288 0.075 17 0 "[ . 1 . 2]"
1 13 THR 1.207 0.214 16 0 "[ . 1 . 2]"
1 14 VAL 2.740 0.465 14 0 "[ . 1 . 2]"
1 15 SER 1.139 0.465 14 0 "[ . 1 . 2]"
1 16 ASN 0.803 0.054 17 0 "[ . 1 . 2]"
1 17 LYS 3.253 0.214 16 0 "[ . 1 . 2]"
1 18 VAL 1.192 0.083 15 0 "[ . 1 . 2]"
1 19 ILE 0.560 0.028 5 0 "[ . 1 . 2]"
1 20 GLN 0.579 0.068 18 0 "[ . 1 . 2]"
1 21 ILE 2.170 0.299 17 0 "[ . 1 . 2]"
1 22 THR 0.220 0.071 12 0 "[ . 1 . 2]"
1 23 SER 0.900 0.076 8 0 "[ . 1 . 2]"
1 24 LEU 1.172 0.155 13 0 "[ . 1 . 2]"
1 25 THR 1.906 0.155 13 0 "[ . 1 . 2]"
1 26 ASP 0.735 0.040 2 0 "[ . 1 . 2]"
1 27 ASP 1.256 0.074 6 0 "[ . 1 . 2]"
1 28 ASN 1.202 0.027 18 0 "[ . 1 . 2]"
1 29 THR 2.602 0.132 5 0 "[ . 1 . 2]"
1 30 ILE 2.503 0.060 13 0 "[ . 1 . 2]"
1 31 ALA 1.651 0.044 9 0 "[ . 1 . 2]"
1 32 GLU 0.333 0.023 5 0 "[ . 1 . 2]"
1 33 LEU 0.314 0.029 17 0 "[ . 1 . 2]"
1 34 LYS 0.887 0.031 5 0 "[ . 1 . 2]"
1 35 GLY 0.841 0.039 13 0 "[ . 1 . 2]"
1 36 LYS 0.455 0.023 5 0 "[ . 1 . 2]"
1 37 LEU 0.739 0.037 4 0 "[ . 1 . 2]"
1 38 GLU 0.875 0.052 8 0 "[ . 1 . 2]"
1 39 GLU 1.101 0.037 4 0 "[ . 1 . 2]"
1 40 SER 1.142 0.053 12 0 "[ . 1 . 2]"
1 41 GLU 2.037 0.053 12 0 "[ . 1 . 2]"
1 42 GLY 0.931 0.049 20 0 "[ . 1 . 2]"
1 43 ILE 1.506 0.107 17 0 "[ . 1 . 2]"
1 44 PRO 0.302 0.059 20 0 "[ . 1 . 2]"
1 45 GLY 3.674 0.107 17 0 "[ . 1 . 2]"
1 46 ASN 1.892 0.436 19 0 "[ . 1 . 2]"
1 47 MET 5.964 0.436 19 0 "[ . 1 . 2]"
1 48 ILE 1.999 0.060 17 0 "[ . 1 . 2]"
1 49 ARG 1.982 0.060 17 0 "[ . 1 . 2]"
1 50 LEU 2.048 0.075 11 0 "[ . 1 . 2]"
1 51 VAL 1.508 0.048 7 0 "[ . 1 . 2]"
1 52 TYR 0.424 0.056 7 0 "[ . 1 . 2]"
1 53 GLN 5.166 0.140 14 0 "[ . 1 . 2]"
1 54 GLY 2.922 0.140 14 0 "[ . 1 . 2]"
1 55 LYS 0.235 0.024 13 0 "[ . 1 . 2]"
1 56 GLN 0.291 0.025 20 0 "[ . 1 . 2]"
1 57 LEU 0.292 0.025 20 0 "[ . 1 . 2]"
1 58 GLU 0.768 0.045 13 0 "[ . 1 . 2]"
1 59 ASP 1.642 0.044 9 0 "[ . 1 . 2]"
1 60 GLU 1.082 0.108 13 0 "[ . 1 . 2]"
1 61 LYS 6.279 0.165 19 0 "[ . 1 . 2]"
1 62 ARG 1.955 0.108 13 0 "[ . 1 . 2]"
1 63 LEU 5.066 0.132 5 0 "[ . 1 . 2]"
1 64 LYS 1.232 0.042 11 0 "[ . 1 . 2]"
1 65 ASP 0.397 0.023 16 0 "[ . 1 . 2]"
1 66 TYR 1.530 0.043 8 0 "[ . 1 . 2]"
1 67 GLN 0.458 0.023 16 0 "[ . 1 . 2]"
1 68 MET 0.570 0.020 9 0 "[ . 1 . 2]"
1 69 SER 0.662 0.057 8 0 "[ . 1 . 2]"
1 70 ALA 0.791 0.057 8 0 "[ . 1 . 2]"
1 71 GLY 0.254 0.030 17 0 "[ . 1 . 2]"
1 72 ALA 1.160 0.083 17 0 "[ . 1 . 2]"
1 73 THR 1.259 0.052 16 0 "[ . 1 . 2]"
1 74 PHE 2.985 0.075 11 0 "[ . 1 . 2]"
1 75 HIS 0.834 0.046 10 0 "[ . 1 . 2]"
1 76 MET 3.982 0.117 16 0 "[ . 1 . 2]"
1 77 VAL 1.325 0.049 8 0 "[ . 1 . 2]"
1 78 VAL 1.810 0.108 8 0 "[ . 1 . 2]"
1 79 ALA 0.866 0.063 12 0 "[ . 1 . 2]"
1 80 LEU 0.283 0.106 7 0 "[ . 1 . 2]"
1 81 ARG 1.132 0.235 3 0 "[ . 1 . 2]"
1 82 ALA 1.171 0.342 11 0 "[ . 1 . 2]"
1 83 GLY 0.513 0.342 11 0 "[ . 1 . 2]"
1 84 CYS 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 7 MET H 1 7 MET HB2 1.800 . 3.000 2.262 2.196 2.501 . 0 0 "[ . 1 . 2]" 1
2 1 7 MET H 1 7 MET HB3 1.800 . 3.000 2.896 2.693 2.986 . 0 0 "[ . 1 . 2]" 1
3 1 7 MET HA 1 8 LEU H 1.800 . 3.600 3.568 3.555 3.571 . 0 0 "[ . 1 . 2]" 1
4 1 7 MET HA 1 69 SER H 1.800 . 5.300 5.228 4.313 5.311 0.011 16 0 "[ . 1 . 2]" 1
5 1 7 MET HB3 1 8 LEU H 1.800 . 3.000 1.987 1.933 2.104 . 0 0 "[ . 1 . 2]" 1
6 1 7 MET HB3 1 70 ALA H 1.800 . 6.000 5.960 5.763 6.007 0.007 17 0 "[ . 1 . 2]" 1
7 1 8 LEU H 1 8 LEU HB2 1.800 . 3.300 3.050 2.799 3.129 . 0 0 "[ . 1 . 2]" 1
8 1 8 LEU H 1 8 LEU HB3 1.800 . 3.000 2.393 2.270 2.467 . 0 0 "[ . 1 . 2]" 1
9 1 8 LEU H 1 8 LEU MD2 1.800 . 4.300 3.761 3.607 3.954 . 0 0 "[ . 1 . 2]" 1
10 1 8 LEU H 1 9 LEU H 1.800 . 4.500 4.399 4.331 4.474 . 0 0 "[ . 1 . 2]" 1
11 1 8 LEU H 1 21 ILE HG12 1.800 . 6.500 6.484 6.228 6.593 0.093 8 0 "[ . 1 . 2]" 1
12 1 8 LEU H 1 22 THR HA 1.800 . 4.300 4.272 4.193 4.371 0.071 12 0 "[ . 1 . 2]" 1
13 1 8 LEU H 1 69 SER HA 1.800 . 3.000 1.961 1.938 2.069 . 0 0 "[ . 1 . 2]" 1
14 1 8 LEU HA 1 9 LEU H 1.800 . 3.000 2.145 2.140 2.149 . 0 0 "[ . 1 . 2]" 1
15 1 8 LEU HB2 1 23 SER H 1.800 . 4.600 4.553 4.285 4.630 0.030 17 0 "[ . 1 . 2]" 1
16 1 8 LEU HB3 1 9 LEU H 1.800 . 4.300 4.325 4.279 4.399 0.099 17 0 "[ . 1 . 2]" 1
17 1 8 LEU HB3 1 70 ALA H 1.800 . 5.300 5.304 5.083 5.332 0.032 2 0 "[ . 1 . 2]" 1
18 1 8 LEU MD2 1 9 LEU H 1.800 . 3.800 3.576 3.356 3.969 0.169 1 0 "[ . 1 . 2]" 1
19 1 8 LEU MD2 1 21 ILE H 1.800 . 4.800 4.794 4.646 5.099 0.299 17 0 "[ . 1 . 2]" 1
20 1 8 LEU HG 1 9 LEU H 1.800 . 3.000 2.808 2.740 2.978 . 0 0 "[ . 1 . 2]" 1
21 1 9 LEU H 1 9 LEU HA 1.800 . 3.000 2.929 2.927 2.930 . 0 0 "[ . 1 . 2]" 1
22 1 9 LEU H 1 21 ILE H 1.800 . 3.400 3.380 3.276 3.420 0.020 17 0 "[ . 1 . 2]" 1
23 1 9 LEU H 1 21 ILE HG12 1.800 . 3.000 2.707 2.483 2.848 . 0 0 "[ . 1 . 2]" 1
24 1 9 LEU HA 1 10 LYS H 1.800 . 3.000 2.264 2.261 2.275 . 0 0 "[ . 1 . 2]" 1
25 1 9 LEU HB2 1 10 LYS H 1.800 . 3.000 2.864 2.762 2.936 . 0 0 "[ . 1 . 2]" 1
26 1 9 LEU HB2 1 11 VAL H 1.800 . 5.400 5.446 5.269 5.553 0.153 12 0 "[ . 1 . 2]" 1
27 1 9 LEU HB2 1 70 ALA H 1.800 . 5.500 5.382 5.263 5.517 0.017 8 0 "[ . 1 . 2]" 1
28 1 9 LEU HB3 1 10 LYS H 1.800 . 4.100 4.108 3.991 4.165 0.065 12 0 "[ . 1 . 2]" 1
29 1 9 LEU HB3 1 21 ILE H 1.800 . 6.000 5.939 5.765 6.018 0.018 8 0 "[ . 1 . 2]" 1
30 1 9 LEU MD2 1 22 THR H 1.800 . 5.800 5.338 5.200 5.552 . 0 0 "[ . 1 . 2]" 1
31 1 9 LEU MD2 1 23 SER H 1.800 . 4.300 4.013 3.716 4.365 0.065 17 0 "[ . 1 . 2]" 1
32 1 10 LYS H 1 10 LYS HA 1.800 . 3.000 2.945 2.943 2.947 . 0 0 "[ . 1 . 2]" 1
33 1 10 LYS H 1 10 LYS HB2 1.800 . 3.300 3.104 3.080 3.154 . 0 0 "[ . 1 . 2]" 1
34 1 10 LYS H 1 10 LYS HB3 1.800 . 3.000 2.454 2.437 2.500 . 0 0 "[ . 1 . 2]" 1
35 1 10 LYS H 1 10 LYS QE 1.800 . 5.300 4.911 4.408 5.246 . 0 0 "[ . 1 . 2]" 1
36 1 10 LYS H 1 11 VAL H 1.800 . 4.300 4.239 4.210 4.261 . 0 0 "[ . 1 . 2]" 1
37 1 10 LYS H 1 11 VAL QG 1.800 . 4.500 4.086 3.927 4.203 . 0 0 "[ . 1 . 2]" 1
38 1 10 LYS H 1 20 GLN HA 1.800 . 4.800 4.811 4.779 4.840 0.040 13 0 "[ . 1 . 2]" 1
39 1 10 LYS H 1 72 ALA H 1.800 . 5.300 5.182 5.067 5.276 . 0 0 "[ . 1 . 2]" 1
40 1 10 LYS H 1 72 ALA HA 1.800 . 3.300 3.069 2.852 3.228 . 0 0 "[ . 1 . 2]" 1
41 1 10 LYS H 1 73 THR HB 1.800 . 5.300 5.314 5.306 5.327 0.027 13 0 "[ . 1 . 2]" 1
42 1 10 LYS H 1 73 THR MG 1.800 . 5.800 5.027 4.881 5.133 . 0 0 "[ . 1 . 2]" 1
43 1 10 LYS HA 1 11 VAL H 1.800 . 3.000 2.148 2.146 2.151 . 0 0 "[ . 1 . 2]" 1
44 1 10 LYS HA 1 19 ILE H 1.800 . 4.300 4.262 4.157 4.305 0.005 6 0 "[ . 1 . 2]" 1
45 1 10 LYS HA 1 21 ILE H 1.800 . 3.500 3.512 3.267 3.573 0.073 12 0 "[ . 1 . 2]" 1
46 1 10 LYS HB2 1 11 VAL H 1.800 . 4.300 4.310 4.289 4.351 0.051 12 0 "[ . 1 . 2]" 1
47 1 10 LYS HB3 1 72 ALA H 1.800 . 5.400 5.447 5.430 5.483 0.083 17 0 "[ . 1 . 2]" 1
48 1 11 VAL H 1 11 VAL HA 1.800 . 3.000 2.937 2.934 2.943 . 0 0 "[ . 1 . 2]" 1
49 1 11 VAL H 1 11 VAL HB 1.800 . 3.800 3.703 3.687 3.720 . 0 0 "[ . 1 . 2]" 1
50 1 11 VAL H 1 11 VAL QG 1.800 . 3.000 1.890 1.860 1.919 . 0 0 "[ . 1 . 2]" 1
51 1 11 VAL H 1 12 LYS HA 1.800 . 5.300 5.119 5.071 5.150 . 0 0 "[ . 1 . 2]" 1
52 1 11 VAL H 1 12 LYS HB3 1.800 . 5.400 5.386 5.265 5.423 0.023 12 0 "[ . 1 . 2]" 1
53 1 11 VAL H 1 19 ILE H 1.800 . 3.300 3.146 3.077 3.225 . 0 0 "[ . 1 . 2]" 1
54 1 11 VAL H 1 19 ILE HA 1.800 . 5.100 5.047 4.979 5.104 0.004 8 0 "[ . 1 . 2]" 1
55 1 11 VAL H 1 19 ILE MG 1.800 . 5.000 4.444 4.336 4.577 . 0 0 "[ . 1 . 2]" 1
56 1 11 VAL H 1 20 GLN H 1.800 . 5.300 5.191 5.107 5.264 . 0 0 "[ . 1 . 2]" 1
57 1 11 VAL HA 1 12 LYS H 1.800 . 3.000 2.150 2.145 2.157 . 0 0 "[ . 1 . 2]" 1
58 1 11 VAL HA 1 74 PHE H 1.800 . 4.800 4.646 4.600 4.666 . 0 0 "[ . 1 . 2]" 1
59 1 11 VAL HA 1 75 HIS H 1.800 . 4.400 4.401 4.320 4.443 0.043 18 0 "[ . 1 . 2]" 1
60 1 11 VAL HB 1 12 LYS H 1.800 . 3.300 3.266 3.200 3.314 0.014 3 0 "[ . 1 . 2]" 1
61 1 11 VAL HB 1 74 PHE H 1.800 . 5.800 5.791 5.699 5.828 0.028 13 0 "[ . 1 . 2]" 1
62 1 11 VAL QG 1 12 LYS H 1.800 . 4.500 3.546 3.504 3.568 . 0 0 "[ . 1 . 2]" 1
63 1 11 VAL QG 1 73 THR H 1.800 . 4.800 3.988 3.862 4.099 . 0 0 "[ . 1 . 2]" 1
64 1 11 VAL QG 1 74 PHE H 1.800 . 5.300 4.742 4.600 4.834 . 0 0 "[ . 1 . 2]" 1
65 1 11 VAL QG 1 75 HIS H 1.800 . 5.300 4.544 4.456 4.612 . 0 0 "[ . 1 . 2]" 1
66 1 12 LYS H 1 12 LYS HA 1.800 . 3.000 2.945 2.941 2.947 . 0 0 "[ . 1 . 2]" 1
67 1 12 LYS H 1 12 LYS HB2 1.800 . 3.800 3.778 3.744 3.818 0.018 16 0 "[ . 1 . 2]" 1
68 1 12 LYS H 1 12 LYS HB3 1.800 . 3.200 3.236 3.138 3.264 0.064 10 0 "[ . 1 . 2]" 1
69 1 12 LYS H 1 12 LYS QD 1.800 . 3.800 3.521 3.185 3.875 0.075 17 0 "[ . 1 . 2]" 1
70 1 12 LYS H 1 19 ILE H 1.800 . 4.800 4.806 4.770 4.826 0.026 14 0 "[ . 1 . 2]" 1
71 1 12 LYS H 1 73 THR H 1.800 . 4.400 4.409 4.374 4.452 0.052 16 0 "[ . 1 . 2]" 1
72 1 12 LYS H 1 73 THR MG 1.800 . 5.800 5.072 5.018 5.137 . 0 0 "[ . 1 . 2]" 1
73 1 12 LYS H 1 74 PHE H 1.800 . 4.500 4.492 4.464 4.538 0.038 16 0 "[ . 1 . 2]" 1
74 1 12 LYS H 1 74 PHE HA 1.800 . 3.000 2.399 2.341 2.439 . 0 0 "[ . 1 . 2]" 1
75 1 12 LYS H 1 74 PHE HB3 1.800 . 5.300 5.319 5.290 5.362 0.062 18 0 "[ . 1 . 2]" 1
76 1 12 LYS H 1 75 HIS H 1.800 . 3.000 2.956 2.924 2.980 . 0 0 "[ . 1 . 2]" 1
77 1 12 LYS H 1 75 HIS HA 1.800 . 5.600 5.616 5.570 5.646 0.046 10 0 "[ . 1 . 2]" 1
78 1 12 LYS HA 1 13 THR H 1.800 . 3.000 2.144 2.141 2.150 . 0 0 "[ . 1 . 2]" 1
79 1 12 LYS HA 1 14 VAL H 1.800 . 6.500 6.387 6.373 6.406 . 0 0 "[ . 1 . 2]" 1
80 1 12 LYS HA 1 15 SER H 1.800 . 6.500 6.402 6.336 6.511 0.011 14 0 "[ . 1 . 2]" 1
81 1 12 LYS HA 1 16 ASN H 1.800 . 6.000 5.930 5.812 6.001 0.001 2 0 "[ . 1 . 2]" 1
82 1 12 LYS HA 1 17 LYS H 1.800 . 4.300 4.239 4.183 4.329 0.029 16 0 "[ . 1 . 2]" 1
83 1 12 LYS HA 1 18 VAL H 1.800 . 4.300 4.232 4.132 4.301 0.001 15 0 "[ . 1 . 2]" 1
84 1 12 LYS HA 1 19 ILE H 1.800 . 3.600 3.501 3.444 3.561 . 0 0 "[ . 1 . 2]" 1
85 1 12 LYS HB2 1 75 HIS H 1.800 . 5.200 5.028 4.984 5.131 . 0 0 "[ . 1 . 2]" 1
86 1 12 LYS HB3 1 75 HIS H 1.800 . 5.500 5.456 5.359 5.485 . 0 0 "[ . 1 . 2]" 1
87 1 12 LYS QG 1 13 THR H 1.800 . 4.800 4.296 4.170 4.441 . 0 0 "[ . 1 . 2]" 1
88 1 12 LYS QG 1 17 LYS H 1.800 . 6.000 5.791 5.668 6.046 0.046 17 0 "[ . 1 . 2]" 1
89 1 12 LYS QG 1 73 THR H 1.800 . 4.500 4.470 4.199 4.543 0.043 12 0 "[ . 1 . 2]" 1
90 1 13 THR H 1 17 LYS H 1.800 . 3.000 2.878 2.788 3.023 0.023 18 0 "[ . 1 . 2]" 1
91 1 13 THR H 1 18 VAL HA 1.800 . 3.800 3.751 3.662 3.883 0.083 15 0 "[ . 1 . 2]" 1
92 1 13 THR HA 1 14 VAL H 1.800 . 3.000 2.467 2.429 2.514 . 0 0 "[ . 1 . 2]" 1
93 1 13 THR HA 1 15 SER H 1.800 . 4.000 3.994 3.966 4.045 0.045 16 0 "[ . 1 . 2]" 1
94 1 13 THR HA 1 16 ASN H 1.800 . 5.100 5.085 4.941 5.115 0.015 4 0 "[ . 1 . 2]" 1
95 1 13 THR HA 1 17 LYS H 1.800 . 4.800 4.819 4.718 5.014 0.214 16 0 "[ . 1 . 2]" 1
96 1 13 THR HA 1 76 MET H 1.800 . 5.000 4.835 4.742 4.943 . 0 0 "[ . 1 . 2]" 1
97 1 13 THR MG 1 16 ASN H 1.800 . 5.800 4.738 3.038 5.225 . 0 0 "[ . 1 . 2]" 1
98 1 14 VAL H 1 14 VAL HA 1.800 . 3.000 2.823 2.787 2.830 . 0 0 "[ . 1 . 2]" 1
99 1 14 VAL H 1 14 VAL HB 1.800 . 3.000 2.510 2.460 2.747 . 0 0 "[ . 1 . 2]" 1
100 1 14 VAL H 1 14 VAL QG 1.800 . 3.000 2.126 1.899 2.273 . 0 0 "[ . 1 . 2]" 1
101 1 14 VAL H 1 15 SER H 1.800 . 3.000 2.620 2.607 2.690 . 0 0 "[ . 1 . 2]" 1
102 1 14 VAL H 1 15 SER HA 1.800 . 5.300 5.179 5.160 5.276 . 0 0 "[ . 1 . 2]" 1
103 1 14 VAL H 1 15 SER HB2 1.800 . 4.500 4.455 4.421 4.515 0.015 14 0 "[ . 1 . 2]" 1
104 1 14 VAL H 1 16 ASN H 1.800 . 4.500 4.355 4.296 4.369 . 0 0 "[ . 1 . 2]" 1
105 1 14 VAL H 1 17 LYS HB2 1.800 . 5.800 5.752 5.606 5.985 0.185 16 0 "[ . 1 . 2]" 1
106 1 14 VAL H 1 76 MET H 1.800 . 5.300 5.214 5.097 5.344 0.044 14 0 "[ . 1 . 2]" 1
107 1 14 VAL H 1 76 MET HB3 1.800 . 6.300 6.089 6.025 6.157 . 0 0 "[ . 1 . 2]" 1
108 1 14 VAL H 1 76 MET HG2 1.800 . 6.500 6.581 6.560 6.617 0.117 16 0 "[ . 1 . 2]" 1
109 1 14 VAL HA 1 15 SER H 1.800 . 3.400 3.376 3.363 3.434 0.034 14 0 "[ . 1 . 2]" 1
110 1 14 VAL HA 1 77 VAL H 1.800 . 5.500 5.364 5.123 5.505 0.005 14 0 "[ . 1 . 2]" 1
111 1 14 VAL HB 1 15 SER H 1.800 . 4.300 4.134 3.096 4.207 . 0 0 "[ . 1 . 2]" 1
112 1 14 VAL HB 1 16 ASN H 1.800 . 5.400 5.358 4.814 5.398 . 0 0 "[ . 1 . 2]" 1
113 1 14 VAL QG 1 15 SER H 1.800 . 3.000 2.605 2.326 3.465 0.465 14 0 "[ . 1 . 2]" 1
114 1 14 VAL QG 1 77 VAL H 1.800 . 3.000 2.299 2.039 2.646 . 0 0 "[ . 1 . 2]" 1
115 1 15 SER H 1 15 SER HA 1.800 . 3.000 2.903 2.890 2.907 . 0 0 "[ . 1 . 2]" 1
116 1 15 SER H 1 15 SER HB2 1.800 . 3.000 2.189 2.143 2.206 . 0 0 "[ . 1 . 2]" 1
117 1 15 SER H 1 16 ASN H 1.800 . 3.000 2.622 2.612 2.668 . 0 0 "[ . 1 . 2]" 1
118 1 15 SER H 1 16 ASN HB2 1.800 . 5.300 5.289 5.282 5.304 0.004 14 0 "[ . 1 . 2]" 1
119 1 15 SER H 1 17 LYS H 1.800 . 3.500 3.460 3.412 3.489 . 0 0 "[ . 1 . 2]" 1
120 1 15 SER H 1 17 LYS HB2 1.800 . 4.400 4.235 4.202 4.353 . 0 0 "[ . 1 . 2]" 1
121 1 15 SER HA 1 16 ASN H 1.800 . 3.300 3.130 3.124 3.153 . 0 0 "[ . 1 . 2]" 1
122 1 15 SER HA 1 17 LYS H 1.800 . 4.800 4.731 4.552 4.815 0.015 17 0 "[ . 1 . 2]" 1
123 1 15 SER HB2 1 17 LYS H 1.800 . 4.000 3.971 3.902 4.136 0.136 18 0 "[ . 1 . 2]" 1
124 1 16 ASN H 1 16 ASN HA 1.800 . 3.000 2.277 2.275 2.277 . 0 0 "[ . 1 . 2]" 1
125 1 16 ASN H 1 16 ASN HB2 1.800 . 3.300 3.129 3.122 3.157 . 0 0 "[ . 1 . 2]" 1
126 1 16 ASN H 1 17 LYS H 1.800 . 3.000 2.574 2.545 2.587 . 0 0 "[ . 1 . 2]" 1
127 1 16 ASN H 1 17 LYS HG3 1.800 . 4.500 4.509 4.504 4.516 0.016 14 0 "[ . 1 . 2]" 1
128 1 16 ASN HB2 1 17 LYS H 1.800 . 4.400 4.409 4.294 4.454 0.054 17 0 "[ . 1 . 2]" 1
129 1 17 LYS H 1 17 LYS HA 1.800 . 3.000 2.939 2.915 2.945 . 0 0 "[ . 1 . 2]" 1
130 1 17 LYS H 1 17 LYS HB2 1.800 . 3.000 2.424 2.354 2.447 . 0 0 "[ . 1 . 2]" 1
131 1 17 LYS H 1 17 LYS QD 1.800 . 5.000 4.318 4.145 4.538 . 0 0 "[ . 1 . 2]" 1
132 1 17 LYS H 1 18 VAL H 1.800 . 4.000 3.955 3.917 4.011 0.011 15 0 "[ . 1 . 2]" 1
133 1 17 LYS H 1 18 VAL MG2 1.800 . 4.300 3.925 3.861 4.029 . 0 0 "[ . 1 . 2]" 1
134 1 17 LYS HB3 1 18 VAL H 1.800 . 4.100 4.019 3.996 4.070 . 0 0 "[ . 1 . 2]" 1
135 1 17 LYS QD 1 18 VAL H 1.800 . 5.800 5.672 5.627 5.766 . 0 0 "[ . 1 . 2]" 1
136 1 17 LYS QG 1 18 VAL H 1.800 . 4.300 4.330 4.315 4.352 0.052 14 0 "[ . 1 . 2]" 1
137 1 18 VAL H 1 19 ILE H 1.800 . 4.500 4.516 4.501 4.528 0.028 5 0 "[ . 1 . 2]" 1
138 1 18 VAL HA 1 19 ILE H 1.800 . 3.000 2.170 2.159 2.180 . 0 0 "[ . 1 . 2]" 1
139 1 18 VAL HB 1 19 ILE H 1.800 . 4.300 4.031 3.995 4.110 . 0 0 "[ . 1 . 2]" 1
140 1 18 VAL MG2 1 19 ILE H 1.800 . 4.800 4.079 3.991 4.146 . 0 0 "[ . 1 . 2]" 1
141 1 19 ILE H 1 19 ILE HA 1.800 . 3.000 2.939 2.936 2.945 . 0 0 "[ . 1 . 2]" 1
142 1 19 ILE H 1 19 ILE HB 1.800 . 3.000 2.791 2.753 2.841 . 0 0 "[ . 1 . 2]" 1
143 1 19 ILE H 1 19 ILE MD 1.800 . 4.400 3.757 3.676 3.853 . 0 0 "[ . 1 . 2]" 1
144 1 19 ILE H 1 19 ILE QG 1.800 . 3.000 2.866 2.749 2.952 . 0 0 "[ . 1 . 2]" 1
145 1 19 ILE H 1 20 GLN H 1.800 . 4.300 4.172 4.134 4.303 0.003 8 0 "[ . 1 . 2]" 1
146 1 19 ILE HA 1 20 GLN H 1.800 . 3.000 2.142 2.139 2.166 . 0 0 "[ . 1 . 2]" 1
147 1 19 ILE HB 1 20 GLN H 1.800 . 4.300 4.244 4.093 4.297 . 0 0 "[ . 1 . 2]" 1
148 1 19 ILE MD 1 20 GLN H 1.800 . 3.800 3.624 3.462 3.758 . 0 0 "[ . 1 . 2]" 1
149 1 19 ILE QG 1 20 GLN H 1.800 . 5.300 4.731 4.624 4.765 . 0 0 "[ . 1 . 2]" 1
150 1 19 ILE MG 1 20 GLN H 1.800 . 3.300 2.802 2.479 2.902 . 0 0 "[ . 1 . 2]" 1
151 1 19 ILE MG 1 21 ILE H 1.800 . 4.000 3.925 3.816 4.003 0.003 5 0 "[ . 1 . 2]" 1
152 1 20 GLN H 1 20 GLN HA 1.800 . 3.000 2.936 2.934 2.942 . 0 0 "[ . 1 . 2]" 1
153 1 20 GLN H 1 20 GLN HB2 1.800 . 3.800 3.413 2.545 3.701 . 0 0 "[ . 1 . 2]" 1
154 1 20 GLN H 1 20 GLN HB3 1.800 . 3.000 2.943 2.654 3.068 0.068 18 0 "[ . 1 . 2]" 1
155 1 20 GLN H 1 21 ILE H 1.800 . 4.300 4.302 4.272 4.333 0.033 17 0 "[ . 1 . 2]" 1
156 1 20 GLN HA 1 21 ILE H 1.800 . 3.000 2.143 2.140 2.147 . 0 0 "[ . 1 . 2]" 1
157 1 20 GLN HB3 1 21 ILE H 1.800 . 4.300 4.276 4.129 4.317 0.017 16 0 "[ . 1 . 2]" 1
158 1 21 ILE H 1 21 ILE HA 1.800 . 3.000 2.948 2.947 2.949 . 0 0 "[ . 1 . 2]" 1
159 1 21 ILE H 1 21 ILE HB 1.800 . 3.800 3.778 3.712 3.805 0.005 5 0 "[ . 1 . 2]" 1
160 1 21 ILE HA 1 22 THR H 1.800 . 3.000 2.299 2.295 2.310 . 0 0 "[ . 1 . 2]" 1
161 1 21 ILE HA 1 23 SER H 1.800 . 5.000 4.651 4.438 4.814 . 0 0 "[ . 1 . 2]" 1
162 1 21 ILE HB 1 23 SER H 1.800 . 3.600 3.354 2.978 3.606 0.006 13 0 "[ . 1 . 2]" 1
163 1 21 ILE MG 1 23 SER H 1.800 . 6.000 4.776 4.548 4.963 . 0 0 "[ . 1 . 2]" 1
164 1 22 THR H 1 22 THR HA 1.800 . 3.000 2.946 2.930 2.949 . 0 0 "[ . 1 . 2]" 1
165 1 22 THR H 1 22 THR MG 1.800 . 3.000 2.168 1.919 2.787 . 0 0 "[ . 1 . 2]" 1
166 1 22 THR H 1 23 SER H 1.800 . 3.500 3.117 2.921 3.333 . 0 0 "[ . 1 . 2]" 1
167 1 22 THR HA 1 23 SER H 1.800 . 3.000 2.589 2.504 2.709 . 0 0 "[ . 1 . 2]" 1
168 1 22 THR MG 1 23 SER H 1.800 . 4.300 3.979 3.837 4.312 0.012 17 0 "[ . 1 . 2]" 1
169 1 23 SER H 1 23 SER HA 1.800 . 3.000 2.832 2.814 2.864 . 0 0 "[ . 1 . 2]" 1
170 1 23 SER H 1 23 SER HB2 1.800 . 3.800 3.700 3.648 3.773 . 0 0 "[ . 1 . 2]" 1
171 1 23 SER H 1 23 SER HB3 1.800 . 3.000 3.021 2.926 3.076 0.076 8 0 "[ . 1 . 2]" 1
172 1 23 SER H 1 24 LEU H 1.800 . 3.300 3.123 2.904 3.312 0.012 3 0 "[ . 1 . 2]" 1
173 1 23 SER H 1 24 LEU HA 1.800 . 4.500 4.325 4.296 4.364 . 0 0 "[ . 1 . 2]" 1
174 1 24 LEU H 1 24 LEU HA 1.800 . 3.000 2.940 2.938 2.941 . 0 0 "[ . 1 . 2]" 1
175 1 24 LEU H 1 24 LEU HB2 1.800 . 3.000 2.296 2.265 2.387 . 0 0 "[ . 1 . 2]" 1
176 1 24 LEU H 1 25 THR H 1.800 . 4.600 4.536 4.534 4.539 . 0 0 "[ . 1 . 2]" 1
177 1 24 LEU HA 1 25 THR H 1.800 . 3.000 2.302 2.294 2.321 . 0 0 "[ . 1 . 2]" 1
178 1 24 LEU HB2 1 25 THR H 1.800 . 4.100 4.126 4.036 4.162 0.062 18 0 "[ . 1 . 2]" 1
179 1 24 LEU HB3 1 25 THR H 1.800 . 3.000 2.926 2.748 3.155 0.155 13 0 "[ . 1 . 2]" 1
180 1 24 LEU QD 1 25 THR H 1.800 . 3.000 2.276 1.892 3.084 0.084 10 0 "[ . 1 . 2]" 1
181 1 24 LEU QD 1 29 THR H 1.800 . 5.000 4.057 3.537 4.985 . 0 0 "[ . 1 . 2]" 1
182 1 25 THR H 1 25 THR HB 1.800 . 3.000 3.002 2.998 3.005 0.005 6 0 "[ . 1 . 2]" 1
183 1 25 THR H 1 25 THR MG 1.800 . 4.400 3.691 3.671 3.726 . 0 0 "[ . 1 . 2]" 1
184 1 25 THR H 1 26 ASP H 1.800 . 4.500 4.532 4.515 4.540 0.040 2 0 "[ . 1 . 2]" 1
185 1 25 THR H 1 27 ASP H 1.800 . 5.300 5.122 5.000 5.241 . 0 0 "[ . 1 . 2]" 1
186 1 25 THR H 1 28 ASN H 1.800 . 5.400 5.364 5.216 5.426 0.026 1 0 "[ . 1 . 2]" 1
187 1 25 THR H 1 28 ASN HB2 1.800 . 6.300 6.178 6.001 6.263 . 0 0 "[ . 1 . 2]" 1
188 1 25 THR HA 1 26 ASP H 1.800 . 3.000 2.561 2.555 2.565 . 0 0 "[ . 1 . 2]" 1
189 1 25 THR HB 1 26 ASP H 1.800 . 3.000 2.696 2.687 2.709 . 0 0 "[ . 1 . 2]" 1
190 1 25 THR MG 1 26 ASP H 1.800 . 3.000 2.013 1.909 2.073 . 0 0 "[ . 1 . 2]" 1
191 1 25 THR MG 1 27 ASP H 1.800 . 3.000 2.403 2.205 2.598 . 0 0 "[ . 1 . 2]" 1
192 1 26 ASP H 1 26 ASP QB 1.800 . 3.500 3.042 2.717 3.144 . 0 0 "[ . 1 . 2]" 1
193 1 26 ASP H 1 27 ASP H 1.800 . 3.000 2.023 1.915 2.109 . 0 0 "[ . 1 . 2]" 1
194 1 26 ASP H 1 28 ASN H 1.800 . 4.300 4.147 3.975 4.259 . 0 0 "[ . 1 . 2]" 1
195 1 26 ASP H 1 29 THR H 1.800 . 4.800 4.708 4.479 4.830 0.030 9 0 "[ . 1 . 2]" 1
196 1 26 ASP HA 1 27 ASP H 1.800 . 3.300 3.205 3.165 3.272 . 0 0 "[ . 1 . 2]" 1
197 1 26 ASP HA 1 28 ASN H 1.800 . 4.800 4.689 4.584 4.789 . 0 0 "[ . 1 . 2]" 1
198 1 26 ASP QB 1 27 ASP H 1.800 . 4.300 3.833 3.427 3.916 . 0 0 "[ . 1 . 2]" 1
199 1 27 ASP H 1 27 ASP HA 1.800 . 3.000 2.925 2.924 2.926 . 0 0 "[ . 1 . 2]" 1
200 1 27 ASP H 1 27 ASP HB2 1.800 . 3.000 2.229 2.223 2.234 . 0 0 "[ . 1 . 2]" 1
201 1 27 ASP H 1 27 ASP HB3 1.800 . 3.300 3.282 3.262 3.297 . 0 0 "[ . 1 . 2]" 1
202 1 27 ASP H 1 28 ASN H 1.800 . 3.000 2.335 2.317 2.347 . 0 0 "[ . 1 . 2]" 1
203 1 27 ASP H 1 28 ASN HA 1.800 . 4.900 4.912 4.910 4.915 0.015 15 0 "[ . 1 . 2]" 1
204 1 27 ASP H 1 28 ASN HB2 1.800 . 4.800 4.682 4.632 4.706 . 0 0 "[ . 1 . 2]" 1
205 1 27 ASP H 1 63 LEU HB2 1.800 . 5.300 5.313 5.278 5.328 0.028 4 0 "[ . 1 . 2]" 1
206 1 27 ASP H 1 63 LEU HG 1.800 . 5.000 5.036 5.002 5.074 0.074 6 0 "[ . 1 . 2]" 1
207 1 27 ASP HA 1 28 ASN H 1.800 . 3.800 3.560 3.557 3.562 . 0 0 "[ . 1 . 2]" 1
208 1 27 ASP HB2 1 28 ASN H 1.800 . 3.000 2.975 2.961 2.992 . 0 0 "[ . 1 . 2]" 1
209 1 27 ASP HB2 1 29 THR H 1.800 . 4.800 4.777 4.758 4.795 . 0 0 "[ . 1 . 2]" 1
210 1 27 ASP HB3 1 28 ASN H 1.800 . 3.000 2.750 2.708 2.807 . 0 0 "[ . 1 . 2]" 1
211 1 28 ASN H 1 28 ASN HA 1.800 . 3.000 2.947 2.947 2.948 . 0 0 "[ . 1 . 2]" 1
212 1 28 ASN H 1 28 ASN HB2 1.800 . 3.000 2.451 2.431 2.465 . 0 0 "[ . 1 . 2]" 1
213 1 28 ASN H 1 29 THR H 1.800 . 3.000 2.037 2.029 2.044 . 0 0 "[ . 1 . 2]" 1
214 1 28 ASN H 1 29 THR MG 1.800 . 6.400 5.482 5.474 5.487 . 0 0 "[ . 1 . 2]" 1
215 1 28 ASN H 1 31 ALA MB 1.800 . 5.600 5.010 4.964 5.047 . 0 0 "[ . 1 . 2]" 1
216 1 28 ASN H 1 32 GLU HB2 1.800 . 4.000 3.866 3.745 3.960 . 0 0 "[ . 1 . 2]" 1
217 1 28 ASN H 1 62 ARG HB3 1.800 . 4.600 4.605 4.594 4.617 0.017 14 0 "[ . 1 . 2]" 1
218 1 28 ASN H 1 62 ARG HG3 1.800 . 5.300 5.314 5.305 5.322 0.022 8 0 "[ . 1 . 2]" 1
219 1 28 ASN H 1 63 LEU HA 1.800 . 5.600 5.599 5.568 5.625 0.025 17 0 "[ . 1 . 2]" 1
220 1 28 ASN H 1 63 LEU HG 1.800 . 6.500 6.519 6.510 6.527 0.027 18 0 "[ . 1 . 2]" 1
221 1 28 ASN HA 1 29 THR H 1.800 . 3.600 3.541 3.538 3.542 . 0 0 "[ . 1 . 2]" 1
222 1 28 ASN HA 1 32 GLU H 1.800 . 4.300 4.246 4.222 4.281 . 0 0 "[ . 1 . 2]" 1
223 1 28 ASN HB2 1 29 THR H 1.800 . 3.000 2.693 2.660 2.732 . 0 0 "[ . 1 . 2]" 1
224 1 28 ASN HB2 1 32 GLU H 1.800 . 3.000 2.877 2.853 2.974 . 0 0 "[ . 1 . 2]" 1
225 1 29 THR H 1 29 THR HA 1.800 . 3.000 2.276 2.276 2.277 . 0 0 "[ . 1 . 2]" 1
226 1 29 THR H 1 29 THR MG 1.800 . 4.600 4.054 4.046 4.055 . 0 0 "[ . 1 . 2]" 1
227 1 29 THR H 1 30 ILE H 1.800 . 4.100 4.044 4.038 4.051 . 0 0 "[ . 1 . 2]" 1
228 1 29 THR H 1 31 ALA MB 1.800 . 5.400 4.788 4.758 4.805 . 0 0 "[ . 1 . 2]" 1
229 1 29 THR H 1 32 GLU H 1.800 . 3.800 3.587 3.557 3.626 . 0 0 "[ . 1 . 2]" 1
230 1 29 THR H 1 32 GLU HB2 1.800 . 3.400 3.321 3.071 3.406 0.006 3 0 "[ . 1 . 2]" 1
231 1 29 THR H 1 32 GLU HB3 1.800 . 3.300 3.076 2.972 3.312 0.012 9 0 "[ . 1 . 2]" 1
232 1 29 THR H 1 33 LEU H 1.800 . 5.000 4.902 4.822 5.006 0.006 3 0 "[ . 1 . 2]" 1
233 1 29 THR H 1 62 ARG HB3 1.800 . 4.800 4.732 4.726 4.737 . 0 0 "[ . 1 . 2]" 1
234 1 29 THR H 1 62 ARG HG3 1.800 . 6.300 6.237 6.229 6.244 . 0 0 "[ . 1 . 2]" 1
235 1 29 THR H 1 63 LEU HA 1.800 . 5.600 5.720 5.704 5.732 0.132 5 0 "[ . 1 . 2]" 1
236 1 29 THR HA 1 30 ILE H 1.800 . 3.600 3.533 3.531 3.534 . 0 0 "[ . 1 . 2]" 1
237 1 29 THR HA 1 31 ALA H 1.800 . 5.300 5.147 5.111 5.168 . 0 0 "[ . 1 . 2]" 1
238 1 29 THR HB 1 31 ALA H 1.800 . 4.200 4.176 4.098 4.228 0.028 16 0 "[ . 1 . 2]" 1
239 1 30 ILE H 1 30 ILE HA 1.800 . 3.000 2.851 2.840 2.865 . 0 0 "[ . 1 . 2]" 1
240 1 30 ILE H 1 30 ILE HB 1.800 . 3.000 2.570 2.519 2.632 . 0 0 "[ . 1 . 2]" 1
241 1 30 ILE H 1 30 ILE MD 1.800 . 3.000 2.054 2.012 2.086 . 0 0 "[ . 1 . 2]" 1
242 1 30 ILE H 1 30 ILE HG13 1.800 . 3.000 2.780 2.640 2.875 . 0 0 "[ . 1 . 2]" 1
243 1 30 ILE H 1 30 ILE MG 1.800 . 4.500 3.772 3.766 3.778 . 0 0 "[ . 1 . 2]" 1
244 1 30 ILE H 1 31 ALA H 1.800 . 3.000 2.623 2.549 2.675 . 0 0 "[ . 1 . 2]" 1
245 1 30 ILE H 1 31 ALA HA 1.800 . 5.300 5.231 5.172 5.273 . 0 0 "[ . 1 . 2]" 1
246 1 30 ILE H 1 32 GLU H 1.800 . 4.000 3.986 3.963 3.999 . 0 0 "[ . 1 . 2]" 1
247 1 30 ILE H 1 32 GLU HB2 1.800 . 6.000 5.925 5.647 5.956 . 0 0 "[ . 1 . 2]" 1
248 1 30 ILE H 1 33 LEU H 1.800 . 4.800 4.668 4.626 4.727 . 0 0 "[ . 1 . 2]" 1
249 1 30 ILE H 1 33 LEU HB2 1.800 . 5.000 4.871 4.796 4.975 . 0 0 "[ . 1 . 2]" 1
250 1 30 ILE H 1 34 LYS H 1.800 . 6.000 5.984 5.963 6.007 0.007 5 0 "[ . 1 . 2]" 1
251 1 30 ILE H 1 34 LYS HD2 1.800 . 6.500 6.504 6.492 6.507 0.007 5 0 "[ . 1 . 2]" 1
252 1 30 ILE H 1 59 ASP HA 1.800 . 4.400 4.418 4.410 4.438 0.038 13 0 "[ . 1 . 2]" 1
253 1 30 ILE H 1 61 LYS HB3 1.800 . 6.500 6.534 6.515 6.542 0.042 12 0 "[ . 1 . 2]" 1
254 1 30 ILE HA 1 31 ALA H 1.800 . 3.600 3.558 3.552 3.561 . 0 0 "[ . 1 . 2]" 1
255 1 30 ILE HA 1 32 GLU H 1.800 . 4.400 4.340 4.295 4.374 . 0 0 "[ . 1 . 2]" 1
256 1 30 ILE HA 1 33 LEU H 1.800 . 3.500 3.436 3.406 3.457 . 0 0 "[ . 1 . 2]" 1
257 1 30 ILE HB 1 31 ALA H 1.800 . 3.000 2.417 2.378 2.477 . 0 0 "[ . 1 . 2]" 1
258 1 30 ILE HB 1 34 LYS H 1.800 . 5.600 5.550 5.460 5.604 0.004 10 0 "[ . 1 . 2]" 1
259 1 30 ILE HB 1 58 GLU H 1.800 . 5.000 5.026 5.018 5.045 0.045 13 0 "[ . 1 . 2]" 1
260 1 30 ILE HB 1 61 LYS H 1.800 . 5.000 5.042 5.021 5.060 0.060 13 0 "[ . 1 . 2]" 1
261 1 30 ILE MD 1 31 ALA H 1.800 . 3.800 3.432 3.358 3.512 . 0 0 "[ . 1 . 2]" 1
262 1 30 ILE MD 1 58 GLU H 1.800 . 5.500 4.847 4.779 4.901 . 0 0 "[ . 1 . 2]" 1
263 1 30 ILE MD 1 59 ASP H 1.800 . 5.000 4.388 4.324 4.406 . 0 0 "[ . 1 . 2]" 1
264 1 30 ILE MD 1 61 LYS H 1.800 . 4.000 3.424 3.324 3.475 . 0 0 "[ . 1 . 2]" 1
265 1 30 ILE MG 1 31 ALA H 1.800 . 3.800 3.421 3.270 3.584 . 0 0 "[ . 1 . 2]" 1
266 1 30 ILE MG 1 32 GLU H 1.800 . 5.500 4.955 4.887 5.045 . 0 0 "[ . 1 . 2]" 1
267 1 30 ILE MG 1 33 LEU H 1.800 . 4.800 4.541 4.479 4.624 . 0 0 "[ . 1 . 2]" 1
268 1 30 ILE MG 1 34 LYS H 1.800 . 3.800 3.704 3.616 3.805 0.005 10 0 "[ . 1 . 2]" 1
269 1 30 ILE MG 1 58 GLU H 1.800 . 4.000 3.510 3.295 3.677 . 0 0 "[ . 1 . 2]" 1
270 1 30 ILE MG 1 59 ASP H 1.800 . 3.800 3.520 3.395 3.754 . 0 0 "[ . 1 . 2]" 1
271 1 30 ILE MG 1 61 LYS H 1.800 . 6.000 5.419 5.352 5.478 . 0 0 "[ . 1 . 2]" 1
272 1 31 ALA H 1 31 ALA HA 1.800 . 3.000 2.791 2.790 2.792 . 0 0 "[ . 1 . 2]" 1
273 1 31 ALA H 1 31 ALA MB 1.800 . 3.300 2.052 2.047 2.061 . 0 0 "[ . 1 . 2]" 1
274 1 31 ALA H 1 32 GLU H 1.800 . 3.000 2.725 2.717 2.730 . 0 0 "[ . 1 . 2]" 1
275 1 31 ALA H 1 32 GLU HB2 1.800 . 5.200 5.190 4.964 5.207 0.007 13 0 "[ . 1 . 2]" 1
276 1 31 ALA H 1 33 LEU H 1.800 . 4.300 4.198 4.181 4.220 . 0 0 "[ . 1 . 2]" 1
277 1 31 ALA H 1 33 LEU HB2 1.800 . 5.300 5.160 5.129 5.202 . 0 0 "[ . 1 . 2]" 1
278 1 31 ALA H 1 33 LEU HB3 1.800 . 6.300 6.299 6.258 6.314 0.014 3 0 "[ . 1 . 2]" 1
279 1 31 ALA H 1 34 LYS HB3 1.800 . 5.800 5.819 5.810 5.831 0.031 5 0 "[ . 1 . 2]" 1
280 1 31 ALA H 1 34 LYS HD3 1.800 . 4.500 4.504 4.497 4.508 0.008 13 0 "[ . 1 . 2]" 1
281 1 31 ALA H 1 35 GLY H 1.800 . 5.800 5.820 5.806 5.839 0.039 13 0 "[ . 1 . 2]" 1
282 1 31 ALA H 1 59 ASP HA 1.800 . 3.300 3.327 3.312 3.344 0.044 9 0 "[ . 1 . 2]" 1
283 1 31 ALA HA 1 33 LEU H 1.800 . 4.500 4.457 4.450 4.463 . 0 0 "[ . 1 . 2]" 1
284 1 31 ALA HA 1 34 LYS H 1.800 . 3.800 3.711 3.701 3.719 . 0 0 "[ . 1 . 2]" 1
285 1 31 ALA MB 1 32 GLU H 1.800 . 3.000 2.676 2.658 2.695 . 0 0 "[ . 1 . 2]" 1
286 1 31 ALA MB 1 34 LYS H 1.800 . 5.800 4.848 4.843 4.852 . 0 0 "[ . 1 . 2]" 1
287 1 31 ALA MB 1 35 GLY H 1.800 . 5.300 4.515 4.490 4.538 . 0 0 "[ . 1 . 2]" 1
288 1 32 GLU H 1 32 GLU HB3 1.800 . 3.000 2.449 2.427 2.660 . 0 0 "[ . 1 . 2]" 1
289 1 32 GLU H 1 32 GLU HG3 1.800 . 4.400 4.399 4.394 4.419 0.019 9 0 "[ . 1 . 2]" 1
290 1 32 GLU H 1 33 LEU HA 1.800 . 5.300 5.209 5.203 5.214 . 0 0 "[ . 1 . 2]" 1
291 1 32 GLU H 1 33 LEU HB2 1.800 . 4.400 4.379 4.371 4.387 . 0 0 "[ . 1 . 2]" 1
292 1 32 GLU H 1 34 LYS H 1.800 . 4.300 4.265 4.261 4.271 . 0 0 "[ . 1 . 2]" 1
293 1 32 GLU H 1 36 LYS H 1.800 . 6.000 5.883 5.838 5.893 . 0 0 "[ . 1 . 2]" 1
294 1 32 GLU HA 1 36 LYS H 1.800 . 4.000 4.009 3.952 4.023 0.023 5 0 "[ . 1 . 2]" 1
295 1 32 GLU HB2 1 33 LEU H 1.800 . 4.000 3.937 3.781 3.949 . 0 0 "[ . 1 . 2]" 1
296 1 32 GLU HB3 1 33 LEU H 1.800 . 3.000 2.655 2.629 2.667 . 0 0 "[ . 1 . 2]" 1
297 1 33 LEU H 1 33 LEU HA 1.800 . 3.000 2.828 2.826 2.828 . 0 0 "[ . 1 . 2]" 1
298 1 33 LEU H 1 33 LEU HB2 1.800 . 3.100 2.048 2.047 2.049 . 0 0 "[ . 1 . 2]" 1
299 1 33 LEU H 1 33 LEU HB3 1.800 . 3.300 3.253 3.237 3.266 . 0 0 "[ . 1 . 2]" 1
300 1 33 LEU H 1 34 LYS H 1.800 . 3.000 2.695 2.693 2.697 . 0 0 "[ . 1 . 2]" 1
301 1 33 LEU H 1 35 GLY H 1.800 . 4.000 3.993 3.985 4.008 0.008 17 0 "[ . 1 . 2]" 1
302 1 33 LEU H 1 36 LYS H 1.800 . 4.800 4.638 4.606 4.646 . 0 0 "[ . 1 . 2]" 1
303 1 33 LEU H 1 36 LYS QG 1.800 . 5.100 4.934 4.820 5.085 . 0 0 "[ . 1 . 2]" 1
304 1 33 LEU HA 1 34 LYS H 1.800 . 3.600 3.557 3.557 3.558 . 0 0 "[ . 1 . 2]" 1
305 1 33 LEU HA 1 37 LEU H 1.800 . 4.500 4.273 4.157 4.371 . 0 0 "[ . 1 . 2]" 1
306 1 33 LEU HB2 1 34 LYS H 1.800 . 3.000 3.009 2.992 3.029 0.029 17 0 "[ . 1 . 2]" 1
307 1 33 LEU HB2 1 35 GLY H 1.800 . 5.300 5.208 5.196 5.237 . 0 0 "[ . 1 . 2]" 1
308 1 33 LEU HB3 1 34 LYS H 1.800 . 3.000 2.708 2.687 2.725 . 0 0 "[ . 1 . 2]" 1
309 1 33 LEU MD2 1 35 GLY H 1.800 . 6.500 5.616 5.456 5.907 . 0 0 "[ . 1 . 2]" 1
310 1 33 LEU MD2 1 36 LYS H 1.800 . 5.800 4.888 4.629 5.461 . 0 0 "[ . 1 . 2]" 1
311 1 34 LYS H 1 34 LYS HB2 1.800 . 3.600 3.592 3.591 3.592 . 0 0 "[ . 1 . 2]" 1
312 1 34 LYS H 1 34 LYS HB3 1.800 . 3.000 2.526 2.522 2.531 . 0 0 "[ . 1 . 2]" 1
313 1 34 LYS H 1 35 GLY H 1.800 . 3.000 2.637 2.631 2.647 . 0 0 "[ . 1 . 2]" 1
314 1 34 LYS H 1 36 LYS H 1.800 . 4.100 4.080 4.068 4.088 . 0 0 "[ . 1 . 2]" 1
315 1 34 LYS H 1 36 LYS QG 1.800 . 6.300 5.728 5.578 5.893 . 0 0 "[ . 1 . 2]" 1
316 1 34 LYS H 1 37 LEU H 1.800 . 5.000 4.809 4.745 4.856 . 0 0 "[ . 1 . 2]" 1
317 1 34 LYS HA 1 37 LEU H 1.800 . 3.500 3.499 3.482 3.509 0.009 1 0 "[ . 1 . 2]" 1
318 1 34 LYS HB2 1 35 GLY H 1.800 . 3.800 3.767 3.746 3.779 . 0 0 "[ . 1 . 2]" 1
319 1 34 LYS HB2 1 37 LEU H 1.800 . 5.400 5.393 5.372 5.410 0.010 20 0 "[ . 1 . 2]" 1
320 1 34 LYS HB3 1 35 GLY H 1.800 . 3.900 3.896 3.886 3.898 . 0 0 "[ . 1 . 2]" 1
321 1 35 GLY H 1 35 GLY HA2 1.800 . 3.000 2.836 2.835 2.838 . 0 0 "[ . 1 . 2]" 1
322 1 35 GLY H 1 36 LYS H 1.800 . 3.000 2.611 2.607 2.614 . 0 0 "[ . 1 . 2]" 1
323 1 35 GLY H 1 36 LYS HA 1.800 . 5.300 5.230 5.228 5.235 . 0 0 "[ . 1 . 2]" 1
324 1 35 GLY H 1 39 GLU H 1.800 . 6.000 5.972 5.886 6.032 0.032 13 0 "[ . 1 . 2]" 1
325 1 35 GLY HA2 1 36 LYS H 1.800 . 3.500 3.511 3.508 3.513 0.013 3 0 "[ . 1 . 2]" 1
326 1 35 GLY HA2 1 38 GLU H 1.800 . 3.800 3.645 3.586 3.720 . 0 0 "[ . 1 . 2]" 1
327 1 36 LYS H 1 36 LYS HA 1.800 . 3.000 2.858 2.849 2.867 . 0 0 "[ . 1 . 2]" 1
328 1 36 LYS H 1 36 LYS HB2 1.800 . 3.000 2.243 2.189 2.305 . 0 0 "[ . 1 . 2]" 1
329 1 36 LYS H 1 36 LYS HB3 1.800 . 3.600 3.529 3.495 3.561 . 0 0 "[ . 1 . 2]" 1
330 1 36 LYS H 1 36 LYS QD 1.800 . 5.000 4.384 4.155 4.603 . 0 0 "[ . 1 . 2]" 1
331 1 36 LYS H 1 36 LYS QG 1.800 . 3.300 2.822 2.650 2.994 . 0 0 "[ . 1 . 2]" 1
332 1 36 LYS H 1 37 LEU H 1.800 . 3.000 2.498 2.464 2.523 . 0 0 "[ . 1 . 2]" 1
333 1 36 LYS H 1 37 LEU HB2 1.800 . 4.600 4.546 4.511 4.573 . 0 0 "[ . 1 . 2]" 1
334 1 36 LYS H 1 38 GLU H 1.800 . 4.300 4.138 4.109 4.172 . 0 0 "[ . 1 . 2]" 1
335 1 36 LYS H 1 38 GLU QG 1.800 . 4.300 3.994 3.957 4.032 . 0 0 "[ . 1 . 2]" 1
336 1 36 LYS H 1 39 GLU H 1.800 . 4.800 4.683 4.630 4.724 . 0 0 "[ . 1 . 2]" 1
337 1 36 LYS HB2 1 37 LEU H 1.800 . 3.000 2.854 2.781 2.913 . 0 0 "[ . 1 . 2]" 1
338 1 36 LYS HB3 1 38 GLU H 1.800 . 5.800 5.602 5.541 5.669 . 0 0 "[ . 1 . 2]" 1
339 1 36 LYS QD 1 37 LEU H 1.800 . 5.500 5.045 4.926 5.147 . 0 0 "[ . 1 . 2]" 1
340 1 36 LYS QD 1 39 GLU H 1.800 . 6.500 5.763 5.317 6.111 . 0 0 "[ . 1 . 2]" 1
341 1 36 LYS QD 1 40 SER H 1.800 . 5.800 5.313 4.974 5.606 . 0 0 "[ . 1 . 2]" 1
342 1 37 LEU H 1 37 LEU HA 1.800 . 3.000 2.839 2.838 2.841 . 0 0 "[ . 1 . 2]" 1
343 1 37 LEU H 1 37 LEU HB2 1.800 . 3.000 2.274 2.256 2.290 . 0 0 "[ . 1 . 2]" 1
344 1 37 LEU H 1 37 LEU HB3 1.800 . 3.000 2.783 2.764 2.809 . 0 0 "[ . 1 . 2]" 1
345 1 37 LEU H 1 37 LEU QD 1.800 . 4.700 3.683 3.454 3.751 . 0 0 "[ . 1 . 2]" 1
346 1 37 LEU H 1 38 GLU H 1.800 . 3.000 2.608 2.604 2.616 . 0 0 "[ . 1 . 2]" 1
347 1 37 LEU H 1 38 GLU QG 1.800 . 3.800 3.692 3.662 3.744 . 0 0 "[ . 1 . 2]" 1
348 1 37 LEU H 1 39 GLU H 1.800 . 4.000 4.017 3.995 4.037 0.037 4 0 "[ . 1 . 2]" 1
349 1 37 LEU HB2 1 38 GLU H 1.800 . 3.600 3.597 3.567 3.605 0.005 15 0 "[ . 1 . 2]" 1
350 1 37 LEU HB2 1 39 GLU H 1.800 . 5.800 5.634 5.601 5.650 . 0 0 "[ . 1 . 2]" 1
351 1 37 LEU HB2 1 41 GLU H 1.800 . 6.500 6.511 6.489 6.523 0.023 14 0 "[ . 1 . 2]" 1
352 1 37 LEU QD 1 38 GLU H 1.800 . 3.600 3.433 3.307 3.510 . 0 0 "[ . 1 . 2]" 1
353 1 37 LEU QD 1 39 GLU H 1.800 . 5.500 4.940 4.732 5.135 . 0 0 "[ . 1 . 2]" 1
354 1 37 LEU QD 1 40 SER H 1.800 . 6.000 4.659 4.207 5.033 . 0 0 "[ . 1 . 2]" 1
355 1 37 LEU QD 1 41 GLU H 1.800 . 5.300 3.982 3.634 4.520 . 0 0 "[ . 1 . 2]" 1
356 1 37 LEU QD 1 45 GLY H 1.800 . 4.800 4.395 4.187 4.751 . 0 0 "[ . 1 . 2]" 1
357 1 38 GLU H 1 38 GLU HA 1.800 . 3.000 2.835 2.834 2.837 . 0 0 "[ . 1 . 2]" 1
358 1 38 GLU H 1 38 GLU HB2 1.800 . 3.600 3.594 3.592 3.597 . 0 0 "[ . 1 . 2]" 1
359 1 38 GLU H 1 39 GLU H 1.800 . 3.000 2.596 2.589 2.603 . 0 0 "[ . 1 . 2]" 1
360 1 38 GLU H 1 40 SER H 1.800 . 4.000 4.008 3.988 4.023 0.023 7 0 "[ . 1 . 2]" 1
361 1 38 GLU H 1 45 GLY H 1.800 . 6.500 6.527 6.513 6.552 0.052 8 0 "[ . 1 . 2]" 1
362 1 38 GLU HA 1 41 GLU H 1.800 . 3.800 3.631 3.609 3.648 . 0 0 "[ . 1 . 2]" 1
363 1 38 GLU HA 1 45 GLY H 1.800 . 4.600 4.534 4.426 4.605 0.005 17 0 "[ . 1 . 2]" 1
364 1 38 GLU HB2 1 45 GLY H 1.800 . 5.300 5.176 4.849 5.313 0.013 3 0 "[ . 1 . 2]" 1
365 1 39 GLU H 1 39 GLU HA 1.800 . 3.000 2.836 2.834 2.838 . 0 0 "[ . 1 . 2]" 1
366 1 39 GLU H 1 39 GLU HB2 1.800 . 3.000 2.319 2.257 2.393 . 0 0 "[ . 1 . 2]" 1
367 1 39 GLU H 1 39 GLU HB3 1.800 . 3.000 2.770 2.679 2.847 . 0 0 "[ . 1 . 2]" 1
368 1 39 GLU H 1 40 SER H 1.800 . 3.000 2.566 2.559 2.571 . 0 0 "[ . 1 . 2]" 1
369 1 39 GLU H 1 40 SER HB3 1.800 . 4.800 4.781 4.704 4.833 0.033 12 0 "[ . 1 . 2]" 1
370 1 39 GLU H 1 41 GLU H 1.800 . 4.300 4.277 4.192 4.295 . 0 0 "[ . 1 . 2]" 1
371 1 39 GLU H 1 42 GLY H 1.800 . 4.800 4.707 4.646 4.809 0.009 12 0 "[ . 1 . 2]" 1
372 1 39 GLU HA 1 40 SER H 1.800 . 3.500 3.510 3.507 3.515 0.015 20 0 "[ . 1 . 2]" 1
373 1 39 GLU HB2 1 40 SER H 1.800 . 3.800 3.750 3.684 3.820 0.020 18 0 "[ . 1 . 2]" 1
374 1 39 GLU HB3 1 40 SER H 1.800 . 3.000 2.766 2.717 2.801 . 0 0 "[ . 1 . 2]" 1
375 1 39 GLU HB3 1 41 GLU H 1.800 . 5.300 5.199 5.110 5.223 . 0 0 "[ . 1 . 2]" 1
376 1 40 SER H 1 40 SER HB3 1.800 . 3.000 2.461 2.358 2.550 . 0 0 "[ . 1 . 2]" 1
377 1 40 SER H 1 41 GLU H 1.800 . 3.000 2.688 2.660 2.695 . 0 0 "[ . 1 . 2]" 1
378 1 40 SER H 1 41 GLU HB2 1.800 . 4.800 4.732 4.702 4.751 . 0 0 "[ . 1 . 2]" 1
379 1 40 SER HB2 1 41 GLU H 1.800 . 3.800 3.814 3.769 3.853 0.053 12 0 "[ . 1 . 2]" 1
380 1 41 GLU H 1 41 GLU HB2 1.800 . 3.000 2.259 2.246 2.280 . 0 0 "[ . 1 . 2]" 1
381 1 41 GLU H 1 41 GLU HB3 1.800 . 3.600 3.541 3.533 3.552 . 0 0 "[ . 1 . 2]" 1
382 1 41 GLU H 1 41 GLU HG2 1.800 . 3.000 2.970 2.865 3.005 0.005 7 0 "[ . 1 . 2]" 1
383 1 41 GLU H 1 42 GLY H 1.800 . 3.000 2.445 2.410 2.486 . 0 0 "[ . 1 . 2]" 1
384 1 41 GLU HA 1 42 GLY H 1.800 . 3.300 3.320 3.311 3.349 0.049 20 0 "[ . 1 . 2]" 1
385 1 41 GLU HA 1 43 ILE H 1.800 . 4.400 4.370 4.332 4.404 0.004 18 0 "[ . 1 . 2]" 1
386 1 41 GLU HB2 1 42 GLY H 1.800 . 3.500 3.484 3.400 3.510 0.010 8 0 "[ . 1 . 2]" 1
387 1 41 GLU HB3 1 42 GLY H 1.800 . 4.100 4.037 4.016 4.047 . 0 0 "[ . 1 . 2]" 1
388 1 41 GLU HB3 1 43 ILE H 1.800 . 3.100 3.122 3.091 3.144 0.044 18 0 "[ . 1 . 2]" 1
389 1 41 GLU HG2 1 42 GLY H 1.800 . 4.800 4.823 4.775 4.843 0.043 5 0 "[ . 1 . 2]" 1
390 1 42 GLY H 1 43 ILE H 1.800 . 3.300 3.210 3.165 3.240 . 0 0 "[ . 1 . 2]" 1
391 1 42 GLY QA 1 43 ILE H 1.800 . 3.000 2.685 2.667 2.705 . 0 0 "[ . 1 . 2]" 1
392 1 43 ILE H 1 44 PRO QG 1.800 . 6.500 5.998 5.996 6.000 . 0 0 "[ . 1 . 2]" 1
393 1 43 ILE H 1 45 GLY HA2 1.800 . 6.500 6.552 6.531 6.607 0.107 17 0 "[ . 1 . 2]" 1
394 1 44 PRO HA 1 45 GLY H 1.800 . 3.000 2.191 2.180 2.210 . 0 0 "[ . 1 . 2]" 1
395 1 44 PRO HA 1 46 ASN H 1.800 . 4.300 4.234 4.207 4.303 0.003 19 0 "[ . 1 . 2]" 1
396 1 44 PRO HB2 1 45 GLY H 1.800 . 3.300 3.303 3.213 3.359 0.059 20 0 "[ . 1 . 2]" 1
397 1 44 PRO HB2 1 46 ASN H 1.800 . 3.300 3.031 2.907 3.188 . 0 0 "[ . 1 . 2]" 1
398 1 44 PRO HB3 1 45 GLY H 1.800 . 4.000 3.852 3.795 3.888 . 0 0 "[ . 1 . 2]" 1
399 1 44 PRO HB3 1 46 ASN H 1.800 . 4.600 4.540 4.492 4.615 0.015 19 0 "[ . 1 . 2]" 1
400 1 45 GLY H 1 45 GLY HA2 1.800 . 3.000 2.772 2.746 2.804 . 0 0 "[ . 1 . 2]" 1
401 1 45 GLY H 1 45 GLY HA3 1.800 . 3.000 2.297 2.293 2.301 . 0 0 "[ . 1 . 2]" 1
402 1 45 GLY H 1 46 ASN H 1.800 . 3.000 2.866 2.788 2.935 . 0 0 "[ . 1 . 2]" 1
403 1 45 GLY H 1 46 ASN HB2 1.800 . 5.400 5.393 5.345 5.454 0.054 17 0 "[ . 1 . 2]" 1
404 1 45 GLY H 1 47 MET H 1.800 . 5.400 5.424 5.305 5.480 0.080 8 0 "[ . 1 . 2]" 1
405 1 45 GLY H 1 48 ILE H 1.800 . 5.300 5.191 5.080 5.294 . 0 0 "[ . 1 . 2]" 1
406 1 45 GLY HA2 1 46 ASN H 1.800 . 3.600 3.555 3.553 3.560 . 0 0 "[ . 1 . 2]" 1
407 1 45 GLY HA2 1 47 MET H 1.800 . 5.800 5.779 5.653 5.807 0.007 16 0 "[ . 1 . 2]" 1
408 1 45 GLY HA2 1 48 ILE H 1.800 . 6.400 6.353 6.254 6.398 . 0 0 "[ . 1 . 2]" 1
409 1 45 GLY HA3 1 46 ASN H 1.800 . 3.000 2.748 2.714 2.757 . 0 0 "[ . 1 . 2]" 1
410 1 45 GLY HA3 1 47 MET H 1.800 . 4.600 4.610 4.451 4.646 0.046 16 0 "[ . 1 . 2]" 1
411 1 45 GLY HA3 1 48 ILE H 1.800 . 4.800 4.823 4.695 4.857 0.057 4 0 "[ . 1 . 2]" 1
412 1 46 ASN H 1 46 ASN HB2 1.800 . 3.300 3.171 3.108 3.197 . 0 0 "[ . 1 . 2]" 1
413 1 46 ASN H 1 46 ASN HB3 1.800 . 3.800 3.722 3.650 3.829 0.029 17 0 "[ . 1 . 2]" 1
414 1 46 ASN H 1 47 MET HA 1.800 . 4.500 4.501 4.481 4.511 0.011 17 0 "[ . 1 . 2]" 1
415 1 46 ASN H 1 47 MET HG3 1.800 . 5.800 5.878 5.823 6.236 0.436 19 0 "[ . 1 . 2]" 1
416 1 46 ASN H 1 77 VAL QG 1.800 . 3.000 2.769 2.412 3.029 0.029 9 0 "[ . 1 . 2]" 1
417 1 46 ASN HB2 1 47 MET H 1.800 . 3.000 2.821 2.602 2.947 . 0 0 "[ . 1 . 2]" 1
418 1 46 ASN HB3 1 47 MET H 1.800 . 3.000 2.163 2.086 2.422 . 0 0 "[ . 1 . 2]" 1
419 1 47 MET H 1 47 MET HA 1.800 . 3.000 2.938 2.934 2.939 . 0 0 "[ . 1 . 2]" 1
420 1 47 MET H 1 47 MET HB2 1.800 . 3.000 2.409 2.296 3.175 0.175 17 0 "[ . 1 . 2]" 1
421 1 47 MET H 1 47 MET HB3 1.800 . 3.500 3.440 2.312 3.594 0.094 8 0 "[ . 1 . 2]" 1
422 1 47 MET H 1 48 ILE H 1.800 . 3.000 2.141 2.117 2.184 . 0 0 "[ . 1 . 2]" 1
423 1 47 MET H 1 48 ILE HA 1.800 . 4.500 4.381 4.362 4.401 . 0 0 "[ . 1 . 2]" 1
424 1 47 MET H 1 48 ILE MD 1.800 . 3.600 3.356 3.159 3.519 . 0 0 "[ . 1 . 2]" 1
425 1 47 MET H 1 49 ARG H 1.800 . 4.800 4.741 4.653 4.812 0.012 1 0 "[ . 1 . 2]" 1
426 1 47 MET H 1 77 VAL QG 1.800 . 3.000 2.539 2.119 2.958 . 0 0 "[ . 1 . 2]" 1
427 1 47 MET H 1 78 VAL H 1.800 . 3.100 2.903 2.634 3.091 . 0 0 "[ . 1 . 2]" 1
428 1 47 MET H 1 78 VAL QG 1.800 . 3.800 3.758 3.454 3.908 0.108 8 0 "[ . 1 . 2]" 1
429 1 47 MET H 1 79 ALA H 1.800 . 6.000 5.992 5.717 6.063 0.063 12 0 "[ . 1 . 2]" 1
430 1 47 MET H 1 79 ALA MB 1.800 . 5.800 4.995 4.488 5.817 0.017 17 0 "[ . 1 . 2]" 1
431 1 47 MET HA 1 48 ILE H 1.800 . 3.600 3.537 3.531 3.542 . 0 0 "[ . 1 . 2]" 1
432 1 47 MET HB2 1 79 ALA H 1.800 . 6.500 6.434 6.143 6.551 0.051 20 0 "[ . 1 . 2]" 1
433 1 48 ILE H 1 48 ILE HA 1.800 . 3.000 2.281 2.276 2.285 . 0 0 "[ . 1 . 2]" 1
434 1 48 ILE H 1 48 ILE MD 1.800 . 3.000 2.789 2.602 3.048 0.048 19 0 "[ . 1 . 2]" 1
435 1 48 ILE H 1 48 ILE QG 1.800 . 3.000 2.600 2.390 2.885 . 0 0 "[ . 1 . 2]" 1
436 1 48 ILE H 1 49 ARG H 1.800 . 3.000 2.949 2.811 3.006 0.006 4 0 "[ . 1 . 2]" 1
437 1 48 ILE H 1 76 MET HB3 1.800 . 5.800 5.808 5.735 5.826 0.026 1 0 "[ . 1 . 2]" 1
438 1 48 ILE H 1 76 MET HG3 1.800 . 6.100 6.106 5.979 6.128 0.028 14 0 "[ . 1 . 2]" 1
439 1 48 ILE H 1 77 VAL HA 1.800 . 3.000 2.531 2.446 2.610 . 0 0 "[ . 1 . 2]" 1
440 1 48 ILE HA 1 49 ARG H 1.800 . 3.000 2.619 2.580 2.652 . 0 0 "[ . 1 . 2]" 1
441 1 48 ILE HA 1 50 LEU H 1.800 . 5.800 5.559 5.364 5.718 . 0 0 "[ . 1 . 2]" 1
442 1 48 ILE HA 1 76 MET H 1.800 . 4.300 4.157 4.007 4.337 0.037 17 0 "[ . 1 . 2]" 1
443 1 48 ILE HB 1 49 ARG H 1.800 . 4.300 4.335 4.313 4.360 0.060 17 0 "[ . 1 . 2]" 1
444 1 48 ILE MD 1 49 ARG H 1.800 . 5.600 4.495 4.243 4.938 . 0 0 "[ . 1 . 2]" 1
445 1 48 ILE MG 1 49 ARG H 1.800 . 4.300 3.973 3.899 4.032 . 0 0 "[ . 1 . 2]" 1
446 1 49 ARG H 1 49 ARG HA 1.800 . 3.000 2.947 2.942 2.948 . 0 0 "[ . 1 . 2]" 1
447 1 49 ARG H 1 49 ARG HB2 1.800 . 3.000 2.526 2.375 2.696 . 0 0 "[ . 1 . 2]" 1
448 1 49 ARG H 1 49 ARG QD 1.800 . 5.000 4.389 3.367 4.994 . 0 0 "[ . 1 . 2]" 1
449 1 49 ARG H 1 50 LEU H 1.800 . 4.300 4.277 4.105 4.339 0.039 1 0 "[ . 1 . 2]" 1
450 1 49 ARG H 1 50 LEU HA 1.800 . 4.900 4.845 4.710 4.898 . 0 0 "[ . 1 . 2]" 1
451 1 49 ARG H 1 76 MET HA 1.800 . 5.000 5.014 4.948 5.031 0.031 16 0 "[ . 1 . 2]" 1
452 1 49 ARG H 1 76 MET HG3 1.800 . 5.300 5.317 5.302 5.357 0.057 17 0 "[ . 1 . 2]" 1
453 1 49 ARG H 1 77 VAL HA 1.800 . 3.800 3.821 3.766 3.849 0.049 8 0 "[ . 1 . 2]" 1
454 1 49 ARG HA 1 50 LEU H 1.800 . 3.000 2.143 2.140 2.151 . 0 0 "[ . 1 . 2]" 1
455 1 50 LEU H 1 50 LEU HA 1.800 . 3.000 2.939 2.938 2.940 . 0 0 "[ . 1 . 2]" 1
456 1 50 LEU H 1 50 LEU HB2 1.800 . 3.800 3.683 3.676 3.692 . 0 0 "[ . 1 . 2]" 1
457 1 50 LEU H 1 50 LEU HB3 1.800 . 3.000 2.968 2.934 2.993 . 0 0 "[ . 1 . 2]" 1
458 1 50 LEU H 1 51 VAL H 1.800 . 4.600 4.541 4.540 4.542 . 0 0 "[ . 1 . 2]" 1
459 1 50 LEU H 1 74 PHE H 1.800 . 6.500 6.563 6.546 6.575 0.075 11 0 "[ . 1 . 2]" 1
460 1 50 LEU H 1 75 HIS HB3 1.800 . 5.400 5.411 5.393 5.429 0.029 5 0 "[ . 1 . 2]" 1
461 1 50 LEU HA 1 51 VAL H 1.800 . 3.000 2.331 2.329 2.334 . 0 0 "[ . 1 . 2]" 1
462 1 50 LEU HB2 1 51 VAL H 1.800 . 3.000 2.590 2.582 2.594 . 0 0 "[ . 1 . 2]" 1
463 1 50 LEU HB3 1 51 VAL H 1.800 . 3.800 3.822 3.801 3.847 0.047 17 0 "[ . 1 . 2]" 1
464 1 51 VAL H 1 51 VAL HA 1.800 . 3.000 2.948 2.947 2.949 . 0 0 "[ . 1 . 2]" 1
465 1 51 VAL H 1 51 VAL HB 1.800 . 3.000 2.733 2.658 3.021 0.021 13 0 "[ . 1 . 2]" 1
466 1 51 VAL H 1 51 VAL QG 1.800 . 3.000 2.499 1.935 2.675 . 0 0 "[ . 1 . 2]" 1
467 1 51 VAL H 1 53 GLN H 1.800 . 6.300 6.306 6.239 6.346 0.046 17 0 "[ . 1 . 2]" 1
468 1 51 VAL H 1 74 PHE HB3 1.800 . 3.300 3.300 3.145 3.334 0.034 17 0 "[ . 1 . 2]" 1
469 1 51 VAL HA 1 52 TYR H 1.800 . 3.000 2.142 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
470 1 51 VAL HA 1 54 GLY H 1.800 . 5.000 4.927 4.891 5.007 0.007 20 0 "[ . 1 . 2]" 1
471 1 51 VAL HA 1 74 PHE H 1.800 . 5.300 5.324 5.304 5.348 0.048 7 0 "[ . 1 . 2]" 1
472 1 51 VAL HB 1 52 TYR H 1.800 . 4.300 4.217 4.190 4.239 . 0 0 "[ . 1 . 2]" 1
473 1 51 VAL QG 1 52 TYR H 1.800 . 3.000 2.708 2.533 2.802 . 0 0 "[ . 1 . 2]" 1
474 1 51 VAL QG 1 53 GLN H 1.800 . 4.300 3.954 3.644 4.102 . 0 0 "[ . 1 . 2]" 1
475 1 51 VAL QG 1 54 GLY H 1.800 . 3.000 2.288 2.228 2.463 . 0 0 "[ . 1 . 2]" 1
476 1 51 VAL QG 1 55 LYS H 1.800 . 3.000 2.474 2.391 2.536 . 0 0 "[ . 1 . 2]" 1
477 1 52 TYR H 1 52 TYR HA 1.800 . 3.000 2.935 2.929 2.944 . 0 0 "[ . 1 . 2]" 1
478 1 52 TYR H 1 52 TYR HB3 1.800 . 3.000 2.997 2.915 3.016 0.016 15 0 "[ . 1 . 2]" 1
479 1 52 TYR H 1 53 GLN H 1.800 . 4.400 4.328 4.282 4.352 . 0 0 "[ . 1 . 2]" 1
480 1 52 TYR H 1 54 GLY H 1.800 . 4.300 4.180 4.071 4.236 . 0 0 "[ . 1 . 2]" 1
481 1 52 TYR H 1 55 LYS H 1.800 . 3.300 3.259 3.112 3.304 0.004 10 0 "[ . 1 . 2]" 1
482 1 52 TYR HA 1 53 GLN H 1.800 . 3.000 2.140 2.139 2.140 . 0 0 "[ . 1 . 2]" 1
483 1 52 TYR HA 1 54 GLY H 1.800 . 3.800 3.795 3.791 3.800 0.000 17 0 "[ . 1 . 2]" 1
484 1 52 TYR HA 1 55 LYS H 1.800 . 4.300 4.299 4.273 4.309 0.009 3 0 "[ . 1 . 2]" 1
485 1 52 TYR HB3 1 53 GLN H 1.800 . 4.000 3.999 3.978 4.056 0.056 7 0 "[ . 1 . 2]" 1
486 1 52 TYR HB3 1 55 LYS H 1.800 . 4.300 4.110 4.065 4.130 . 0 0 "[ . 1 . 2]" 1
487 1 53 GLN H 1 53 GLN HA 1.800 . 3.000 2.276 2.275 2.277 . 0 0 "[ . 1 . 2]" 1
488 1 53 GLN H 1 53 GLN HB2 1.800 . 3.000 3.004 3.001 3.005 0.005 9 0 "[ . 1 . 2]" 1
489 1 53 GLN H 1 53 GLN HB3 1.800 . 3.800 3.894 3.892 3.895 0.095 10 0 "[ . 1 . 2]" 1
490 1 53 GLN H 1 53 GLN QG 1.800 . 4.300 3.886 3.727 4.261 . 0 0 "[ . 1 . 2]" 1
491 1 53 GLN H 1 54 GLY H 1.800 . 3.000 2.733 2.731 2.737 . 0 0 "[ . 1 . 2]" 1
492 1 53 GLN H 1 54 GLY HA3 1.800 . 5.400 5.343 5.341 5.346 . 0 0 "[ . 1 . 2]" 1
493 1 53 GLN H 1 55 LYS H 1.800 . 4.000 3.996 3.991 4.001 0.001 16 0 "[ . 1 . 2]" 1
494 1 53 GLN HA 1 54 GLY H 1.800 . 3.000 2.870 2.869 2.873 . 0 0 "[ . 1 . 2]" 1
495 1 53 GLN HA 1 55 LYS H 1.800 . 4.300 4.269 4.261 4.290 . 0 0 "[ . 1 . 2]" 1
496 1 53 GLN HB2 1 54 GLY H 1.800 . 4.300 4.438 4.436 4.440 0.140 14 0 "[ . 1 . 2]" 1
497 1 53 GLN HB3 1 54 GLY H 1.800 . 4.300 4.168 4.166 4.169 . 0 0 "[ . 1 . 2]" 1
498 1 53 GLN QG 1 54 GLY H 1.800 . 4.800 4.540 4.509 4.740 . 0 0 "[ . 1 . 2]" 1
499 1 54 GLY H 1 54 GLY HA2 1.800 . 3.000 2.323 2.320 2.324 . 0 0 "[ . 1 . 2]" 1
500 1 54 GLY H 1 54 GLY HA3 1.800 . 3.000 2.889 2.886 2.890 . 0 0 "[ . 1 . 2]" 1
501 1 54 GLY H 1 55 LYS H 1.800 . 3.000 2.529 2.508 2.535 . 0 0 "[ . 1 . 2]" 1
502 1 54 GLY H 1 55 LYS QE 1.800 . 5.000 4.736 4.525 4.929 . 0 0 "[ . 1 . 2]" 1
503 1 54 GLY HA2 1 55 LYS H 1.800 . 3.300 3.244 3.226 3.254 . 0 0 "[ . 1 . 2]" 1
504 1 54 GLY HA3 1 55 LYS H 1.800 . 3.300 3.308 3.297 3.324 0.024 13 0 "[ . 1 . 2]" 1
505 1 55 LYS H 1 55 LYS HA 1.800 . 3.000 2.939 2.936 2.943 . 0 0 "[ . 1 . 2]" 1
506 1 55 LYS H 1 55 LYS HB2 1.800 . 3.000 2.305 2.281 2.346 . 0 0 "[ . 1 . 2]" 1
507 1 55 LYS H 1 55 LYS HB3 1.800 . 3.300 3.261 3.196 3.298 . 0 0 "[ . 1 . 2]" 1
508 1 55 LYS H 1 55 LYS HE2 1.800 . 3.300 3.168 2.929 3.292 . 0 0 "[ . 1 . 2]" 1
509 1 55 LYS H 1 56 GLN H 1.800 . 4.600 4.543 4.526 4.550 . 0 0 "[ . 1 . 2]" 1
510 1 55 LYS HA 1 56 GLN H 1.800 . 3.000 2.343 2.301 2.398 . 0 0 "[ . 1 . 2]" 1
511 1 55 LYS HB3 1 56 GLN H 1.800 . 3.000 2.933 2.778 3.003 0.003 20 0 "[ . 1 . 2]" 1
512 1 56 GLN H 1 56 GLN HB2 1.800 . 3.000 2.735 2.696 2.760 . 0 0 "[ . 1 . 2]" 1
513 1 56 GLN H 1 56 GLN HB3 1.800 . 3.800 3.766 3.741 3.794 . 0 0 "[ . 1 . 2]" 1
514 1 56 GLN H 1 57 LEU H 1.800 . 4.500 4.512 4.489 4.525 0.025 20 0 "[ . 1 . 2]" 1
515 1 56 GLN HA 1 57 LEU H 1.800 . 3.000 2.368 2.355 2.417 . 0 0 "[ . 1 . 2]" 1
516 1 56 GLN HB2 1 57 LEU H 1.800 . 3.500 3.488 3.394 3.506 0.006 17 0 "[ . 1 . 2]" 1
517 1 56 GLN HB3 1 57 LEU H 1.800 . 3.000 2.576 2.470 2.610 . 0 0 "[ . 1 . 2]" 1
518 1 57 LEU H 1 57 LEU HB2 1.800 . 3.800 3.730 3.699 3.749 . 0 0 "[ . 1 . 2]" 1
519 1 57 LEU H 1 57 LEU HG 1.800 . 3.000 2.847 2.619 2.966 . 0 0 "[ . 1 . 2]" 1
520 1 57 LEU H 1 58 GLU H 1.800 . 3.600 3.571 3.515 3.599 . 0 0 "[ . 1 . 2]" 1
521 1 57 LEU H 1 59 ASP HB2 1.800 . 6.500 6.466 6.399 6.505 0.005 14 0 "[ . 1 . 2]" 1
522 1 57 LEU HA 1 58 GLU H 1.800 . 3.000 2.174 2.166 2.187 . 0 0 "[ . 1 . 2]" 1
523 1 57 LEU HB2 1 58 GLU H 1.800 . 4.300 4.278 4.254 4.300 . 0 0 "[ . 1 . 2]" 1
524 1 57 LEU HB3 1 58 GLU H 1.800 . 4.000 3.804 3.763 3.862 . 0 0 "[ . 1 . 2]" 1
525 1 58 GLU H 1 58 GLU HA 1.800 . 3.000 2.947 2.945 2.948 . 0 0 "[ . 1 . 2]" 1
526 1 58 GLU H 1 58 GLU HB2 1.800 . 3.000 2.730 2.665 2.821 . 0 0 "[ . 1 . 2]" 1
527 1 58 GLU H 1 58 GLU QG 1.800 . 3.000 2.782 2.506 3.010 0.010 16 0 "[ . 1 . 2]" 1
528 1 58 GLU H 1 59 ASP H 1.800 . 3.000 1.918 1.894 1.995 . 0 0 "[ . 1 . 2]" 1
529 1 58 GLU H 1 61 LYS H 1.800 . 5.100 5.054 5.013 5.074 . 0 0 "[ . 1 . 2]" 1
530 1 58 GLU HA 1 59 ASP H 1.800 . 3.300 3.278 3.268 3.291 . 0 0 "[ . 1 . 2]" 1
531 1 58 GLU HA 1 60 GLU H 1.800 . 3.800 3.791 3.770 3.805 0.005 3 0 "[ . 1 . 2]" 1
532 1 58 GLU HB2 1 59 ASP H 1.800 . 3.500 3.509 3.480 3.529 0.029 16 0 "[ . 1 . 2]" 1
533 1 58 GLU QG 1 59 ASP H 1.800 . 4.500 4.274 4.128 4.486 . 0 0 "[ . 1 . 2]" 1
534 1 59 ASP H 1 59 ASP HA 1.800 . 3.000 2.771 2.767 2.773 . 0 0 "[ . 1 . 2]" 1
535 1 59 ASP H 1 59 ASP QB 1.800 . 3.000 2.073 2.061 2.108 . 0 0 "[ . 1 . 2]" 1
536 1 59 ASP H 1 60 GLU H 1.800 . 3.000 2.785 2.775 2.794 . 0 0 "[ . 1 . 2]" 1
537 1 59 ASP H 1 61 LYS H 1.800 . 4.000 3.986 3.973 4.001 0.001 13 0 "[ . 1 . 2]" 1
538 1 59 ASP H 1 61 LYS QD 1.800 . 4.800 4.826 4.819 4.830 0.030 8 0 "[ . 1 . 2]" 1
539 1 59 ASP HA 1 60 GLU H 1.800 . 3.600 3.534 3.531 3.535 . 0 0 "[ . 1 . 2]" 1
540 1 59 ASP QB 1 60 GLU H 1.800 . 3.000 2.648 2.627 2.660 . 0 0 "[ . 1 . 2]" 1
541 1 59 ASP HB3 1 61 LYS H 1.800 . 4.800 4.788 4.771 4.799 . 0 0 "[ . 1 . 2]" 1
542 1 60 GLU H 1 60 GLU HA 1.800 . 3.000 2.834 2.830 2.840 . 0 0 "[ . 1 . 2]" 1
543 1 60 GLU H 1 60 GLU HB2 1.800 . 3.000 2.147 2.081 2.722 . 0 0 "[ . 1 . 2]" 1
544 1 60 GLU H 1 60 GLU HB3 1.800 . 3.300 3.096 2.357 3.186 . 0 0 "[ . 1 . 2]" 1
545 1 60 GLU H 1 61 LYS H 1.800 . 3.000 2.551 2.534 2.561 . 0 0 "[ . 1 . 2]" 1
546 1 60 GLU H 1 61 LYS HB3 1.800 . 6.100 6.052 6.031 6.064 . 0 0 "[ . 1 . 2]" 1
547 1 60 GLU H 1 61 LYS QD 1.800 . 3.800 3.620 3.597 3.654 . 0 0 "[ . 1 . 2]" 1
548 1 60 GLU H 1 62 ARG HB3 1.800 . 6.300 6.242 6.224 6.247 . 0 0 "[ . 1 . 2]" 1
549 1 60 GLU H 1 62 ARG HG2 1.800 . 6.500 6.417 6.390 6.426 . 0 0 "[ . 1 . 2]" 1
550 1 60 GLU HA 1 61 LYS H 1.800 . 3.500 3.433 3.432 3.437 . 0 0 "[ . 1 . 2]" 1
551 1 60 GLU HB2 1 62 ARG H 1.800 . 5.500 5.539 5.529 5.608 0.108 13 0 "[ . 1 . 2]" 1
552 1 60 GLU HB3 1 61 LYS H 1.800 . 3.300 3.294 3.096 3.318 0.018 19 0 "[ . 1 . 2]" 1
553 1 61 LYS H 1 61 LYS HA 1.800 . 3.000 2.926 2.923 2.927 . 0 0 "[ . 1 . 2]" 1
554 1 61 LYS H 1 61 LYS HB2 1.800 . 3.000 2.299 2.289 2.304 . 0 0 "[ . 1 . 2]" 1
555 1 61 LYS H 1 61 LYS HB3 1.800 . 3.400 3.561 3.556 3.565 0.165 19 0 "[ . 1 . 2]" 1
556 1 61 LYS H 1 61 LYS HG2 1.800 . 4.300 4.327 4.312 4.339 0.039 17 0 "[ . 1 . 2]" 1
557 1 61 LYS H 1 62 ARG H 1.800 . 3.300 3.021 3.007 3.028 . 0 0 "[ . 1 . 2]" 1
558 1 61 LYS H 1 62 ARG HB3 1.800 . 5.300 5.303 5.299 5.308 0.008 13 0 "[ . 1 . 2]" 1
559 1 61 LYS H 1 62 ARG HG3 1.800 . 6.500 6.395 6.390 6.400 . 0 0 "[ . 1 . 2]" 1
560 1 61 LYS HA 1 62 ARG H 1.800 . 3.000 2.818 2.813 2.831 . 0 0 "[ . 1 . 2]" 1
561 1 61 LYS HA 1 65 ASP H 1.800 . 4.300 4.266 4.248 4.311 0.011 13 0 "[ . 1 . 2]" 1
562 1 61 LYS HB2 1 62 ARG H 1.800 . 4.300 4.261 4.248 4.265 . 0 0 "[ . 1 . 2]" 1
563 1 61 LYS HB3 1 62 ARG H 1.800 . 4.500 4.365 4.362 4.367 . 0 0 "[ . 1 . 2]" 1
564 1 61 LYS QD 1 62 ARG H 1.800 . 5.000 4.700 4.658 4.833 . 0 0 "[ . 1 . 2]" 1
565 1 61 LYS HG2 1 65 ASP H 1.800 . 5.500 5.506 5.497 5.516 0.016 13 0 "[ . 1 . 2]" 1
566 1 62 ARG H 1 62 ARG HB3 1.800 . 3.500 2.868 2.864 2.870 . 0 0 "[ . 1 . 2]" 1
567 1 62 ARG H 1 62 ARG HD2 1.800 . 3.000 2.909 2.902 2.918 . 0 0 "[ . 1 . 2]" 1
568 1 62 ARG H 1 62 ARG HD3 1.800 . 3.000 2.005 2.001 2.009 . 0 0 "[ . 1 . 2]" 1
569 1 62 ARG HA 1 64 LYS H 1.800 . 4.600 4.577 4.548 4.591 . 0 0 "[ . 1 . 2]" 1
570 1 62 ARG HD2 1 63 LEU H 1.800 . 4.400 4.415 4.411 4.419 0.019 6 0 "[ . 1 . 2]" 1
571 1 62 ARG HG3 1 64 LYS H 1.800 . 4.800 4.820 4.813 4.835 0.035 13 0 "[ . 1 . 2]" 1
572 1 63 LEU H 1 63 LEU HA 1.800 . 3.000 2.811 2.802 2.814 . 0 0 "[ . 1 . 2]" 1
573 1 63 LEU H 1 63 LEU HB3 1.800 . 3.000 2.783 2.762 2.812 . 0 0 "[ . 1 . 2]" 1
574 1 63 LEU H 1 64 LYS H 1.800 . 3.000 2.643 2.632 2.666 . 0 0 "[ . 1 . 2]" 1
575 1 63 LEU H 1 64 LYS HB2 1.800 . 4.500 4.427 4.414 4.452 . 0 0 "[ . 1 . 2]" 1
576 1 63 LEU H 1 65 ASP H 1.800 . 4.300 4.123 4.114 4.141 . 0 0 "[ . 1 . 2]" 1
577 1 63 LEU H 1 65 ASP HB2 1.800 . 5.300 5.230 5.218 5.247 . 0 0 "[ . 1 . 2]" 1
578 1 63 LEU H 1 66 TYR H 1.800 . 5.100 5.059 5.045 5.080 . 0 0 "[ . 1 . 2]" 1
579 1 63 LEU HA 1 64 LYS H 1.800 . 3.500 3.510 3.510 3.512 0.012 5 0 "[ . 1 . 2]" 1
580 1 63 LEU HA 1 65 ASP H 1.800 . 3.800 3.789 3.776 3.807 0.007 16 0 "[ . 1 . 2]" 1
581 1 63 LEU HA 1 66 TYR H 1.800 . 3.300 3.212 3.199 3.229 . 0 0 "[ . 1 . 2]" 1
582 1 63 LEU HB2 1 64 LYS H 1.800 . 3.800 3.732 3.715 3.747 . 0 0 "[ . 1 . 2]" 1
583 1 63 LEU HB2 1 66 TYR H 1.800 . 5.500 5.509 5.499 5.524 0.024 17 0 "[ . 1 . 2]" 1
584 1 63 LEU MD2 1 65 ASP H 1.800 . 5.300 4.664 4.607 4.756 . 0 0 "[ . 1 . 2]" 1
585 1 63 LEU HG 1 66 TYR H 1.800 . 4.800 4.824 4.807 4.843 0.043 8 0 "[ . 1 . 2]" 1
586 1 64 LYS H 1 64 LYS HA 1.800 . 3.000 2.790 2.789 2.791 . 0 0 "[ . 1 . 2]" 1
587 1 64 LYS H 1 64 LYS HB2 1.800 . 3.100 2.061 2.059 2.061 . 0 0 "[ . 1 . 2]" 1
588 1 64 LYS H 1 64 LYS HB3 1.800 . 3.300 3.295 3.288 3.298 . 0 0 "[ . 1 . 2]" 1
589 1 64 LYS H 1 64 LYS HG2 1.800 . 3.800 3.771 3.753 3.799 . 0 0 "[ . 1 . 2]" 1
590 1 64 LYS H 1 65 ASP H 1.800 . 3.000 2.677 2.675 2.679 . 0 0 "[ . 1 . 2]" 1
591 1 64 LYS H 1 65 ASP HB2 1.800 . 4.600 4.586 4.558 4.597 . 0 0 "[ . 1 . 2]" 1
592 1 64 LYS H 1 66 TYR H 1.800 . 4.000 4.030 4.016 4.042 0.042 11 0 "[ . 1 . 2]" 1
593 1 64 LYS HA 1 65 ASP H 1.800 . 3.500 3.463 3.461 3.467 . 0 0 "[ . 1 . 2]" 1
594 1 64 LYS HB2 1 65 ASP H 1.800 . 3.400 3.397 3.385 3.404 0.004 11 0 "[ . 1 . 2]" 1
595 1 64 LYS HB3 1 65 ASP H 1.800 . 3.300 3.294 3.273 3.305 0.005 11 0 "[ . 1 . 2]" 1
596 1 64 LYS HG2 1 65 ASP H 1.800 . 5.000 4.998 4.994 5.002 0.002 1 0 "[ . 1 . 2]" 1
597 1 65 ASP H 1 65 ASP HB2 1.800 . 3.000 2.166 2.144 2.175 . 0 0 "[ . 1 . 2]" 1
598 1 65 ASP H 1 65 ASP HB3 1.800 . 3.500 3.448 3.404 3.463 . 0 0 "[ . 1 . 2]" 1
599 1 65 ASP H 1 66 TYR H 1.800 . 3.000 2.374 2.369 2.381 . 0 0 "[ . 1 . 2]" 1
600 1 65 ASP H 1 66 TYR HB3 1.800 . 4.800 4.667 4.597 4.755 . 0 0 "[ . 1 . 2]" 1
601 1 65 ASP H 1 67 GLN H 1.800 . 4.100 4.111 4.102 4.123 0.023 16 0 "[ . 1 . 2]" 1
602 1 65 ASP HA 1 66 TYR H 1.800 . 3.400 3.393 3.385 3.399 . 0 0 "[ . 1 . 2]" 1
603 1 65 ASP HA 1 67 GLN H 1.800 . 3.800 3.713 3.638 3.782 . 0 0 "[ . 1 . 2]" 1
604 1 65 ASP HB3 1 66 TYR H 1.800 . 3.800 3.749 3.704 3.778 . 0 0 "[ . 1 . 2]" 1
605 1 66 TYR H 1 66 TYR HA 1.800 . 3.000 2.863 2.861 2.864 . 0 0 "[ . 1 . 2]" 1
606 1 66 TYR H 1 66 TYR HB2 1.800 . 3.000 2.606 2.528 2.671 . 0 0 "[ . 1 . 2]" 1
607 1 66 TYR H 1 66 TYR HB3 1.800 . 3.000 2.504 2.445 2.580 . 0 0 "[ . 1 . 2]" 1
608 1 66 TYR H 1 67 GLN H 1.800 . 3.000 2.460 2.452 2.470 . 0 0 "[ . 1 . 2]" 1
609 1 66 TYR H 1 68 MET H 1.800 . 4.100 4.067 4.043 4.119 0.019 17 0 "[ . 1 . 2]" 1
610 1 66 TYR H 1 68 MET HB2 1.800 . 5.800 5.776 5.747 5.804 0.004 1 0 "[ . 1 . 2]" 1
611 1 66 TYR H 1 68 MET HG2 1.800 . 4.300 4.307 4.215 4.320 0.020 9 0 "[ . 1 . 2]" 1
612 1 66 TYR HA 1 67 GLN H 1.800 . 3.500 3.424 3.406 3.439 . 0 0 "[ . 1 . 2]" 1
613 1 66 TYR HB2 1 67 GLN H 1.800 . 4.200 4.137 4.063 4.183 . 0 0 "[ . 1 . 2]" 1
614 1 66 TYR HB3 1 67 GLN H 1.800 . 3.300 3.112 3.063 3.173 . 0 0 "[ . 1 . 2]" 1
615 1 66 TYR HB3 1 68 MET H 1.800 . 5.000 4.923 4.879 4.989 . 0 0 "[ . 1 . 2]" 1
616 1 67 GLN H 1 67 GLN HA 1.800 . 3.000 2.877 2.864 2.904 . 0 0 "[ . 1 . 2]" 1
617 1 67 GLN H 1 68 MET H 1.800 . 3.000 2.510 2.433 2.534 . 0 0 "[ . 1 . 2]" 1
618 1 67 GLN H 1 68 MET HB2 1.800 . 5.000 4.980 4.904 5.019 0.019 6 0 "[ . 1 . 2]" 1
619 1 67 GLN H 1 68 MET HG2 1.800 . 3.500 3.379 3.204 3.457 . 0 0 "[ . 1 . 2]" 1
620 1 67 GLN H 1 68 MET HG3 1.800 . 5.300 5.118 4.916 5.198 . 0 0 "[ . 1 . 2]" 1
621 1 67 GLN HA 1 68 MET H 1.800 . 3.300 3.294 3.200 3.315 0.015 20 0 "[ . 1 . 2]" 1
622 1 68 MET H 1 68 MET HA 1.800 . 3.000 2.894 2.882 2.908 . 0 0 "[ . 1 . 2]" 1
623 1 68 MET H 1 68 MET HB3 1.800 . 3.800 3.632 3.620 3.650 . 0 0 "[ . 1 . 2]" 1
624 1 68 MET H 1 68 MET HG3 1.800 . 3.600 3.596 3.563 3.606 0.006 13 0 "[ . 1 . 2]" 1
625 1 68 MET HB2 1 69 SER H 1.800 . 3.000 1.945 1.933 1.949 . 0 0 "[ . 1 . 2]" 1
626 1 68 MET HG2 1 69 SER H 1.800 . 3.800 3.749 3.688 3.804 0.004 17 0 "[ . 1 . 2]" 1
627 1 68 MET HG2 1 70 ALA H 1.800 . 5.300 5.176 5.141 5.212 . 0 0 "[ . 1 . 2]" 1
628 1 68 MET HG3 1 69 SER H 1.800 . 4.300 4.285 4.251 4.304 0.004 9 0 "[ . 1 . 2]" 1
629 1 69 SER H 1 69 SER HB2 1.800 . 3.800 3.688 3.637 3.727 . 0 0 "[ . 1 . 2]" 1
630 1 69 SER H 1 70 ALA H 1.800 . 3.000 2.689 2.658 2.731 . 0 0 "[ . 1 . 2]" 1
631 1 69 SER HA 1 70 ALA H 1.800 . 3.000 2.981 2.950 2.995 . 0 0 "[ . 1 . 2]" 1
632 1 69 SER HA 1 71 GLY H 1.800 . 4.400 4.407 4.383 4.424 0.024 16 0 "[ . 1 . 2]" 1
633 1 69 SER HB2 1 70 ALA H 1.800 . 4.000 4.021 4.006 4.057 0.057 8 0 "[ . 1 . 2]" 1
634 1 70 ALA H 1 70 ALA HA 1.800 . 3.000 2.802 2.796 2.822 . 0 0 "[ . 1 . 2]" 1
635 1 70 ALA H 1 70 ALA MB 1.800 . 3.300 2.892 2.870 2.916 . 0 0 "[ . 1 . 2]" 1
636 1 70 ALA HA 1 71 GLY H 1.800 . 3.000 2.749 2.668 2.792 . 0 0 "[ . 1 . 2]" 1
637 1 70 ALA MB 1 71 GLY H 1.800 . 4.400 3.703 3.691 3.718 . 0 0 "[ . 1 . 2]" 1
638 1 71 GLY H 1 71 GLY HA2 1.800 . 3.000 2.956 2.949 2.957 . 0 0 "[ . 1 . 2]" 1
639 1 71 GLY H 1 72 ALA H 1.800 . 4.300 4.273 4.161 4.308 0.008 2 0 "[ . 1 . 2]" 1
640 1 71 GLY HA2 1 72 ALA H 1.800 . 3.000 2.139 2.137 2.147 . 0 0 "[ . 1 . 2]" 1
641 1 71 GLY HA3 1 72 ALA H 1.800 . 3.300 3.266 3.235 3.330 0.030 17 0 "[ . 1 . 2]" 1
642 1 72 ALA H 1 72 ALA HA 1.800 . 3.000 2.809 2.808 2.810 . 0 0 "[ . 1 . 2]" 1
643 1 72 ALA H 1 72 ALA MB 1.800 . 3.000 2.110 2.025 2.234 . 0 0 "[ . 1 . 2]" 1
644 1 72 ALA H 1 73 THR H 1.800 . 4.800 4.592 4.588 4.605 . 0 0 "[ . 1 . 2]" 1
645 1 72 ALA H 1 73 THR HA 1.800 . 5.500 5.507 5.506 5.509 0.009 13 0 "[ . 1 . 2]" 1
646 1 72 ALA HA 1 73 THR H 1.800 . 3.000 2.182 2.177 2.196 . 0 0 "[ . 1 . 2]" 1
647 1 72 ALA HA 1 74 PHE H 1.800 . 6.300 6.204 6.198 6.221 . 0 0 "[ . 1 . 2]" 1
648 1 72 ALA MB 1 73 THR H 1.800 . 3.300 2.993 2.897 3.044 . 0 0 "[ . 1 . 2]" 1
649 1 73 THR H 1 73 THR HA 1.800 . 3.000 2.948 2.947 2.949 . 0 0 "[ . 1 . 2]" 1
650 1 73 THR H 1 73 THR HB 1.800 . 3.400 3.361 3.319 3.405 0.005 4 0 "[ . 1 . 2]" 1
651 1 73 THR H 1 73 THR MG 1.800 . 4.200 3.730 3.687 3.773 . 0 0 "[ . 1 . 2]" 1
652 1 73 THR HA 1 74 PHE H 1.800 . 3.000 2.206 2.203 2.208 . 0 0 "[ . 1 . 2]" 1
653 1 73 THR HB 1 74 PHE H 1.800 . 3.300 3.303 3.260 3.346 0.046 16 0 "[ . 1 . 2]" 1
654 1 73 THR MG 1 74 PHE H 1.800 . 3.000 2.795 2.733 2.867 . 0 0 "[ . 1 . 2]" 1
655 1 73 THR MG 1 75 HIS H 1.800 . 5.800 5.301 5.221 5.382 . 0 0 "[ . 1 . 2]" 1
656 1 74 PHE H 1 74 PHE HA 1.800 . 3.000 2.941 2.941 2.942 . 0 0 "[ . 1 . 2]" 1
657 1 74 PHE H 1 74 PHE HB3 1.800 . 3.000 2.640 2.579 2.971 . 0 0 "[ . 1 . 2]" 1
658 1 74 PHE H 1 75 HIS H 1.800 . 4.200 4.128 4.122 4.134 . 0 0 "[ . 1 . 2]" 1
659 1 74 PHE HA 1 75 HIS H 1.800 . 3.000 2.143 2.142 2.144 . 0 0 "[ . 1 . 2]" 1
660 1 74 PHE HB3 1 75 HIS H 1.800 . 4.500 4.412 4.136 4.469 . 0 0 "[ . 1 . 2]" 1
661 1 75 HIS H 1 75 HIS HA 1.800 . 3.000 2.911 2.909 2.916 . 0 0 "[ . 1 . 2]" 1
662 1 75 HIS H 1 76 MET H 1.800 . 4.600 4.574 4.566 4.579 . 0 0 "[ . 1 . 2]" 1
663 1 75 HIS H 1 76 MET HA 1.800 . 5.300 5.243 5.225 5.255 . 0 0 "[ . 1 . 2]" 1
664 1 75 HIS HA 1 76 MET H 1.800 . 3.000 2.237 2.224 2.240 . 0 0 "[ . 1 . 2]" 1
665 1 75 HIS HB2 1 76 MET H 1.800 . 4.100 4.040 3.994 4.079 . 0 0 "[ . 1 . 2]" 1
666 1 75 HIS HB3 1 76 MET H 1.800 . 3.000 2.902 2.884 2.939 . 0 0 "[ . 1 . 2]" 1
667 1 76 MET H 1 76 MET HB2 1.800 . 3.300 3.234 3.160 3.292 . 0 0 "[ . 1 . 2]" 1
668 1 76 MET H 1 76 MET HB3 1.800 . 3.000 2.626 2.600 2.667 . 0 0 "[ . 1 . 2]" 1
669 1 76 MET H 1 76 MET HG2 1.800 . 4.600 4.480 4.380 4.619 0.019 7 0 "[ . 1 . 2]" 1
670 1 76 MET H 1 76 MET HG3 1.800 . 4.500 4.499 4.468 4.528 0.028 20 0 "[ . 1 . 2]" 1
671 1 76 MET H 1 77 VAL H 1.800 . 4.300 4.325 4.305 4.348 0.048 19 0 "[ . 1 . 2]" 1
672 1 76 MET H 1 77 VAL HA 1.800 . 5.000 4.879 4.847 4.936 . 0 0 "[ . 1 . 2]" 1
673 1 76 MET HA 1 77 VAL H 1.800 . 3.000 2.161 2.153 2.170 . 0 0 "[ . 1 . 2]" 1
674 1 76 MET HA 1 78 VAL H 1.800 . 5.700 5.688 5.669 5.710 0.010 7 0 "[ . 1 . 2]" 1
675 1 76 MET HB2 1 77 VAL H 1.800 . 4.300 4.133 4.070 4.209 . 0 0 "[ . 1 . 2]" 1
676 1 76 MET HB3 1 77 VAL H 1.800 . 4.300 4.227 4.167 4.271 . 0 0 "[ . 1 . 2]" 1
677 1 76 MET HG2 1 77 VAL H 1.800 . 4.300 3.831 3.703 3.993 . 0 0 "[ . 1 . 2]" 1
678 1 76 MET HG3 1 77 VAL H 1.800 . 3.000 2.491 2.366 2.587 . 0 0 "[ . 1 . 2]" 1
679 1 76 MET HG3 1 78 VAL H 1.800 . 4.300 4.311 4.252 4.343 0.043 15 0 "[ . 1 . 2]" 1
680 1 77 VAL H 1 77 VAL HA 1.800 . 3.000 2.944 2.933 2.949 . 0 0 "[ . 1 . 2]" 1
681 1 77 VAL H 1 77 VAL QG 1.800 . 3.300 2.351 1.915 2.870 . 0 0 "[ . 1 . 2]" 1
682 1 77 VAL H 1 78 VAL H 1.800 . 4.100 4.096 4.032 4.140 0.040 7 0 "[ . 1 . 2]" 1
683 1 77 VAL HA 1 78 VAL H 1.800 . 3.000 2.150 2.148 2.152 . 0 0 "[ . 1 . 2]" 1
684 1 78 VAL H 1 78 VAL HA 1.800 . 3.000 2.928 2.915 2.949 . 0 0 "[ . 1 . 2]" 1
685 1 78 VAL H 1 78 VAL HB 1.800 . 3.300 2.944 2.808 3.145 . 0 0 "[ . 1 . 2]" 1
686 1 78 VAL H 1 78 VAL QG 1.800 . 3.000 1.913 1.886 1.944 . 0 0 "[ . 1 . 2]" 1
687 1 78 VAL H 1 79 ALA H 1.800 . 4.300 4.242 4.169 4.342 0.042 17 0 "[ . 1 . 2]" 1
688 1 78 VAL HA 1 79 ALA H 1.800 . 3.000 2.164 2.141 2.171 . 0 0 "[ . 1 . 2]" 1
689 1 78 VAL HA 1 80 LEU H 1.800 . 5.500 4.956 3.547 5.427 . 0 0 "[ . 1 . 2]" 1
690 1 78 VAL HB 1 79 ALA H 1.800 . 4.400 4.266 4.206 4.366 . 0 0 "[ . 1 . 2]" 1
691 1 78 VAL HB 1 80 LEU H 1.800 . 6.400 5.296 4.304 6.357 . 0 0 "[ . 1 . 2]" 1
692 1 78 VAL QG 1 79 ALA H 1.800 . 3.500 2.959 2.565 3.172 . 0 0 "[ . 1 . 2]" 1
693 1 79 ALA H 1 79 ALA HA 1.800 . 3.000 2.943 2.867 2.950 . 0 0 "[ . 1 . 2]" 1
694 1 79 ALA H 1 79 ALA MB 1.800 . 3.000 2.486 2.185 2.596 . 0 0 "[ . 1 . 2]" 1
695 1 79 ALA H 1 80 LEU H 1.800 . 4.000 3.761 2.507 4.006 0.006 17 0 "[ . 1 . 2]" 1
696 1 79 ALA HA 1 80 LEU H 1.800 . 3.000 2.304 2.180 2.915 . 0 0 "[ . 1 . 2]" 1
697 1 79 ALA MB 1 80 LEU H 1.800 . 4.000 3.569 3.456 3.720 . 0 0 "[ . 1 . 2]" 1
698 1 80 LEU H 1 80 LEU QD 1.800 . 3.000 2.733 2.226 2.968 . 0 0 "[ . 1 . 2]" 1
699 1 80 LEU H 1 81 ARG HB2 1.800 . 4.500 4.212 3.566 4.606 0.106 7 0 "[ . 1 . 2]" 1
700 1 81 ARG H 1 81 ARG HA 1.800 . 3.000 2.796 2.277 2.948 . 0 0 "[ . 1 . 2]" 1
701 1 81 ARG H 1 81 ARG HB2 1.800 . 3.300 2.593 2.060 3.374 0.074 15 0 "[ . 1 . 2]" 1
702 1 81 ARG H 1 81 ARG QD 1.800 . 3.800 3.202 2.523 3.807 0.007 7 0 "[ . 1 . 2]" 1
703 1 81 ARG HA 1 82 ALA H 1.800 . 3.800 3.017 2.584 3.571 . 0 0 "[ . 1 . 2]" 1
704 1 81 ARG HB2 1 82 ALA H 1.800 . 3.300 3.103 2.492 3.535 0.235 3 0 "[ . 1 . 2]" 1
705 1 81 ARG HB3 1 82 ALA H 1.800 . 3.000 2.243 1.926 2.953 . 0 0 "[ . 1 . 2]" 1
706 1 82 ALA H 1 82 ALA MB 1.800 . 3.800 2.603 2.035 2.890 . 0 0 "[ . 1 . 2]" 1
707 1 82 ALA HA 1 83 GLY H 1.800 . 3.000 2.528 2.210 3.342 0.342 11 0 "[ . 1 . 2]" 1
708 1 82 ALA MB 1 83 GLY H 1.800 . 3.000 2.451 2.069 3.171 0.171 11 0 "[ . 1 . 2]" 1
709 1 83 GLY H 1 83 GLY HA2 1.800 . 3.000 2.664 2.295 2.952 . 0 0 "[ . 1 . 2]" 1
710 1 83 GLY H 1 84 CYS H 1.800 . 3.000 2.637 1.997 2.942 . 0 0 "[ . 1 . 2]" 1
711 1 83 GLY HA2 1 84 CYS H 1.800 . 3.000 2.639 2.325 2.993 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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